*HEADER   CALCIUM-BINDING PROTEIN                 19-JUL-98   1BLQ    
*TITLE    STRUCTURE AND INTERACTION SITE OF THE REGULATORY DOMAIN OF  
*TITLE   2 TROPONIN-C WHEN COMPLEXED WITH THE 96-148 REGION OF        
*TITLE   3 TROPONIN-I, NMR, 29 STRUCTURES                             
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: N-TROPONIN C;                                    
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: REGULATORY;                                      
*COMPND  5 SYNONYM: SNTNC;                                            
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 OTHER_DETAILS: COMPLEX OF SNTNC WITH TNI PEPTIDE           
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                        
*SOURCE  3 ORGANISM_COMMON: CHICKEN;                                  
*SOURCE  4 TISSUE: SKELETAL MUSCLE;                                   
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS;                
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PET3A                           
*KEYWDS   CALCIUM-BINDING, REGULATION, TROPONIN C, SKELETAL MUSCLE,   
*KEYWDS  2 CONTRACTION                                                
*EXPDTA   NMR, 29 STRUCTURES                                          
*AUTHOR   R.T.MCKAY,J.R.PEARLSTONE,D.C.CORSON,S.M.GAGNE,L.B.SMILLIE,  
*AUTHOR  2 B.D.SYKES                                                  
*REVDAT  1   13-JAN-99 1BLQ    0                                      
 
assign (resid   1 and name   HA) (resid   1 and name  HB*)  3.90  2.10  2.10
assign (resid   1 and name  HB*) (resid   4 and name   HN)  3.90  2.10  2.10
assign (resid   1 and name  HB*) (resid   6 and name  HG*)  4.40  2.60  2.60
assign (resid   1 and name  HB*) (resid   2 and name   HA)  3.90  2.10  2.10
assign (resid   1 and name  HB*) (resid   5 and name  HB*)  4.40  2.60  2.60
assign (resid   2 and name  HB*) (resid   3 and name  HE*)  4.40  2.60  2.60
assign (resid   2 and name  HB*) (resid   2 and name   HA)  3.90  2.10  2.10
assign (resid   2 and name  HB*) (resid   1 and name  HB*)  4.40  2.60  2.60
assign (resid   2 and name  HB*) (resid   6 and name  HB*)  4.40  2.60  2.60
assign (resid   3 and name  HE*) (resid   3 and name   HA)  3.90  2.10  2.10
assign (resid   3 and name  HE*) (resid  77 and name   HA)  3.90  2.10  2.10
assign (resid   4 and name HG2*) (resid   2 and name  HB*)  4.40  2.60  2.60
assign (resid   4 and name HG2*) (resid   7 and name HE22)  3.90  2.10  2.10
assign (resid   4 and name HG2*) (resid   7 and name   HN)  3.90  2.10  2.10
assign (resid   4 and name HG2*) (resid   8 and name   HN)  3.90  2.10  2.10
assign (resid   4 and name HG2*) (resid   6 and name  HB*)  4.40  2.60  2.60
assign (resid   4 and name HG2*) (resid   4 and name   HA)  3.90  2.10  2.10
assign (resid   4 and name HG2*) (resid   4 and name   HN)  3.90  2.10  2.10
assign (resid   4 and name HG2*) (resid   5 and name   HN)  3.90  2.10  2.10
assign (resid   4 and name HG2*) (resid   4 and name   HB)  3.90  2.10  2.10
assign (resid   4 and name HG2*) (resid   5 and name  HB*)  3.87  2.07  2.07
assign (resid   4 and name HG2*) (resid   7 and name HE21)  3.90  2.10  2.10
assign (resid   4 and name HG2*) (resid   6 and name   HN)  3.90  2.10  2.10
assign (resid   4 and name   HA) (resid   4 and name   HB)  3.40  1.60  1.60
assign (resid   4 and name   HA) (resid   5 and name   HN)  3.40  1.60  1.60
assign (resid   4 and name   HN) (resid   4 and name   HA)  3.40  1.60  1.60
assign (resid   4 and name   HN) (resid   4 and name   HB)  3.40  1.60  1.60
assign (resid   4 and name   HN) (resid   5 and name  HB*)  3.90  2.10  2.10
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assign (resid   5 and name   HA) (resid   8 and name  HB*)  3.90  2.10  2.10
assign (resid   5 and name   HN) (resid   5 and name   HA)  3.40  1.60  1.60
assign (resid   5 and name   HN) (resid   5 and name  HB*)  3.36  1.56  1.56
assign (resid   5 and name   HN) (resid   6 and name   HN)  3.40  1.60  1.60
assign (resid   5 and name   HN) (resid   4 and name   HN)  3.40  1.60  1.60
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assign (resid   6 and name  HB*) (resid   6 and name HE22)  3.90  2.10  2.10
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assign (resid   6 and name   HA) (resid   6 and name   HN)  3.40  1.60  1.60
assign (resid   6 and name   HA) (resid   6 and name  HG*)  3.36  1.56  1.56
assign (resid   6 and name   HA) (resid   6 and name  HB*)  3.36  1.56  1.56
assign (resid   6 and name  HG*) (resid   6 and name HE21)  3.90  2.10  2.10
assign (resid   6 and name  HG*) (resid   7 and name  HB*)  4.40  2.60  2.60
assign (resid   6 and name  HG*) (resid  80 and name  HG*)  5.57  3.77  3.77
assign (resid   6 and name  HG*) (resid   6 and name HE22)  3.36  1.56  1.56
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assign (resid   6 and name   HN) (resid   5 and name  HB*)  3.36  1.56  1.56
assign (resid   6 and name   HN) (resid   8 and name   HN)  3.40  1.60  1.60
assign (resid   6 and name   HN) (resid   7 and name   HN)  3.40  1.60  1.60
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assign (resid   6 and name   HN) (resid   6 and name  HB*)  3.36  1.56  1.56
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assign (resid   7 and name   HA) (resid  10 and name  HB*)  3.90  2.10  2.10
assign (resid   7 and name   HA) (resid   7 and name  HG*)  3.90  2.10  2.10
assign (resid   7 and name   HA) (resid  80 and name  HG*)  4.60  2.80  2.80
assign (resid   7 and name   HN) (resid   6 and name   HA)  3.40  1.60  1.60
assign (resid   7 and name   HN) (resid   7 and name   HA)  3.40  1.60  1.60
assign (resid   7 and name   HN) (resid  80 and name  HG*)  4.60  2.80  2.80
assign (resid   7 and name   HN) (resid   8 and name   HN)  3.40  1.60  1.60
assign (resid   7 and name   HN) (resid   7 and name  HG*)  3.90  2.10  2.10
assign (resid   7 and name   HN) (resid   9 and name   HN)  3.40  1.60  1.60
assign (resid   7 and name   HN) (resid   6 and name  HB*)  3.90  2.10  2.10
assign (resid   7 and name   HN) (resid   6 and name  HG*)  3.90  2.10  2.10
assign (resid   7 and name   HN) (resid   7 and name  HB*)  3.36  1.56  1.56
assign (resid   8 and name  HB*) (resid   9 and name  HG*)  4.40  2.60  2.60
assign (resid   8 and name  HB*) (resid   9 and name   HN)  3.90  2.10  2.10
assign (resid   8 and name  HB*) (resid   5 and name  HB*)  4.40  2.60  2.60
assign (resid   8 and name  HB*) (resid   8 and name   HN)  3.90  2.10  2.10
assign (resid   8 and name   HA) (resid  11 and name  HB*)  3.90  2.10  2.10
assign (resid   8 and name   HA) (resid   8 and name   HN)  3.40  1.60  1.60
assign (resid   8 and name   HA) (resid  11 and name  HD*)  3.90  2.10  2.10
assign (resid   8 and name   HN) (resid   7 and name   HA)  3.40  1.60  1.60
assign (resid   8 and name   HN) (resid   9 and name   HN)  3.40  1.60  1.60
assign (resid   8 and name   HN) (resid  10 and name   HN)  3.40  1.60  1.60
assign (resid   8 and name   HN) (resid   5 and name   HA)  3.40  1.60  1.60
assign (resid   8 and name   HN) (resid   7 and name  HB*)  3.36  1.56  1.56
assign (resid   8 and name   HN) (resid   7 and name  HG*)  3.90  2.10  2.10
assign (resid   9 and name  HB*) (resid  10 and name   HN)  3.90  2.10  2.10
assign (resid   9 and name  HB*) (resid   9 and name   HN)  3.90  2.10  2.10
assign (resid   9 and name  HB*) (resid   8 and name  HB*)  4.40  2.60  2.60
assign (resid   9 and name  HB*) (resid   9 and name  HG*)  3.87  2.07  2.07
assign (resid   9 and name  HB*) (resid   9 and name   HA)  3.90  2.10  2.10
assign (resid   9 and name   HA) (resid   9 and name  HG*)  3.90  2.10  2.10
assign (resid   9 and name   HA) (resid  12 and name   HN)  3.40  1.60  1.60
assign (resid   9 and name   HA) (resid   9 and name   HN)  3.40  1.60  1.60
assign (resid   9 and name   HA) (resid  11 and name   HN)  3.40  1.60  1.60
assign (resid   9 and name   HA) (resid  12 and name  HB*)  3.90  2.10  2.10
assign (resid   9 and name  HG*) (resid   9 and name   HN)  3.36  1.56  1.56
assign (resid   9 and name   HN) (resid  10 and name   HN)  3.40  1.60  1.60
assign (resid   9 and name   HN) (resid   8 and name   HA)  3.40  1.60  1.60
assign (resid  10 and name  HB*) (resid  80 and name   HB)  3.90  2.10  2.10
assign (resid  10 and name  HB*) (resid  80 and name   HN)  3.90  2.10  2.10
assign (resid  10 and name  HB*) (resid  83 and name   HN)  3.90  2.10  2.10
assign (resid  10 and name  HB*) (resid  79 and name  HD*)  5.10  3.30  3.30
assign (resid  10 and name  HB*) (resid  80 and name  HG*)  5.10  3.30  3.30
assign (resid  10 and name  HB*) (resid  10 and name   HA)  3.90  2.10  2.10
assign (resid  10 and name  HB*) (resid   9 and name   HN)  3.90  2.10  2.10
assign (resid  10 and name  HB*) (resid  10 and name   HN)  3.90  2.10  2.10
assign (resid  10 and name  HB*) (resid  83 and name   HB)  3.90  2.10  2.10
assign (resid  10 and name  HB*) (resid  83 and name  HG*)  4.31  2.51  2.51
assign (resid  10 and name  HB*) (resid  83 and name   HA)  3.90  2.10  2.10
assign (resid  10 and name  HB*) (resid  80 and name   HA)  3.90  2.10  2.10
assign (resid  10 and name  HB*) (resid  79 and name  HB*)  3.87  2.07  2.07
assign (resid  10 and name   HA) (resid  83 and name  HG*)  3.80  2.00  2.00
assign (resid  10 and name   HA) (resid  10 and name   HN)  3.40  1.60  1.60
assign (resid  10 and name   HA) (resid  14 and name   HG)  3.40  1.60  1.60
assign (resid  10 and name   HN) (resid   9 and name   HA)  3.40  1.60  1.60
assign (resid  10 and name   HN) (resid  12 and name   HN)  3.40  1.60  1.60
assign (resid  10 and name   HN) (resid  11 and name   HN)  3.40  1.60  1.60
assign (resid  10 and name   HN) (resid   7 and name   HA)  3.40  1.60  1.60
assign (resid  10 and name   HN) (resid   9 and name  HG*)  3.36  1.56  1.56
assign (resid  11 and name  HB*) (resid  14 and name  HB*)  4.40  2.60  2.60
assign (resid  11 and name  HB*) (resid  11 and name   HA)  3.90  2.10  2.10
assign (resid  11 and name  HB*) (resid  12 and name   HN)  3.90  2.10  2.10
assign (resid  11 and name  HB*) (resid  11 and name   HN)  3.90  2.10  2.10
assign (resid  11 and name  HB*) (resid  11 and name  HD*)  4.40  2.60  2.60
assign (resid  11 and name  HB*) (resid  79 and name  HD*)  5.10  3.30  3.30
assign (resid  11 and name  HB*) (resid  19 and name HD1*)  4.40  2.60  2.60
assign (resid  11 and name  HD*) (resid  11 and name   HN)  3.90  2.10  2.10
assign (resid  11 and name  HD*) (resid  11 and name   HA)  3.90  2.10  2.10
assign (resid  11 and name  HD*) (resid  14 and name  HB*)  4.40  2.60  2.60
assign (resid  11 and name  HD*) (resid  79 and name  HD*)  5.10  3.30  3.30
assign (resid  11 and name  HD*) (resid  19 and name HD1*)  4.40  2.60  2.60
assign (resid  11 and name   HA) (resid  14 and name   HG)  3.40  1.60  1.60
assign (resid  11 and name   HA) (resid  10 and name  HB*)  3.90  2.10  2.10
assign (resid  11 and name   HA) (resid  14 and name  HD*)  4.60  2.80  2.80
assign (resid  11 and name   HA) (resid  14 and name  HB*)  3.90  2.10  2.10
assign (resid  11 and name   HA) (resid  11 and name   HN)  3.40  1.60  1.60
assign (resid  11 and name   HA) (resid  79 and name  HD*)  4.60  2.80  2.80
assign (resid  11 and name   HA) (resid  12 and name   HN)  3.40  1.60  1.60
assign (resid  11 and name   HN) (resid  12 and name   HN)  3.40  1.60  1.60
assign (resid  11 and name   HN) (resid  10 and name  HB*)  3.90  2.10  2.10
assign (resid  11 and name   HN) (resid   9 and name   HN)  3.40  1.60  1.60
assign (resid  11 and name   HN) (resid  10 and name   HA)  3.40  1.60  1.60
assign (resid  11 and name   HN) (resid  14 and name  HB*)  3.90  2.10  2.10
assign (resid  12 and name  HB*) (resid  12 and name   HN)  3.90  2.10  2.10
assign (resid  12 and name  HB*) (resid  12 and name   HA)  3.90  2.10  2.10
assign (resid  12 and name   HA) (resid  12 and name   HN)  3.40  1.60  1.60
assign (resid  12 and name   HN) (resid   8 and name  HB*)  3.90  2.10  2.10
assign (resid  12 and name   HN) (resid  14 and name   HN)  3.40  1.60  1.60
assign (resid  13 and name   HA) (resid  13 and name  HB*)  3.90  2.10  2.10
assign (resid  13 and name   HA) (resid  13 and name   HN)  3.40  1.60  1.60
assign (resid  13 and name   HA) (resid  14 and name   HN)  3.40  1.60  1.60
assign (resid  13 and name   HA) (resid  13 and name  HD1)  3.40  1.60  1.60
assign (resid  13 and name   HN) (resid  12 and name  HB*)  3.90  2.10  2.10
assign (resid  13 and name   HN) (resid  14 and name   HN)  3.40  1.60  1.60
assign (resid  13 and name   HN) (resid  10 and name   HA)  3.40  1.60  1.60
assign (resid  13 and name   HN) (resid  12 and name   HA)  3.40  1.60  1.60
assign (resid  13 and name   HN) (resid  13 and name  HB*)  3.90  2.10  2.10
assign (resid  14 and name  HD*) (resid  86 and name  HE*)  4.31  2.51  2.51
assign (resid  14 and name  HD*) (resid  14 and name   HG)  3.80  2.00  2.00
assign (resid  14 and name  HD*) (resid  14 and name   HN)  3.80  2.00  2.00
assign (resid  14 and name  HD*) (resid  14 and name  HB*)  3.77  1.97  1.97
assign (resid  14 and name  HD*) (resid  79 and name  HD*)  5.03  3.23  3.23
assign (resid  14 and name  HD*) (resid  14 and name   HA)  3.80  2.00  2.00
assign (resid  14 and name   HG) (resid  14 and name  HB*)  3.36  1.56  1.56
assign (resid  14 and name   HG) (resid  14 and name   HN)  3.40  1.60  1.60
assign (resid  14 and name  HD*) (resid  15 and name   HN)  4.60  2.80  2.80
assign (resid  14 and name  HD*) (resid  13 and name  HE2)  4.60  2.80  2.80
assign (resid  14 and name  HD*) (resid  10 and name   HA)  4.60  2.80  2.80
assign (resid  14 and name  HB*) (resid  14 and name   HA)  3.90  2.10  2.10
assign (resid  14 and name  HB*) (resid  14 and name   HN)  3.36  1.56  1.56
assign (resid  14 and name   HN) (resid  12 and name   HA)  3.40  1.60  1.60
assign (resid  14 and name   HN) (resid  14 and name   HA)  3.40  1.60  1.60
assign (resid  14 and name   HN) (resid  11 and name   HA)  3.40  1.60  1.60
assign (resid  14 and name   HN) (resid  13 and name  HB*)  3.90  2.10  2.10
assign (resid  15 and name  HB*) (resid  16 and name   HN)  3.36  1.56  1.56
assign (resid  15 and name  HB*) (resid  15 and name   HA)  3.36  1.56  1.56
assign (resid  15 and name  HB*) (resid  16 and name  HB*)  4.36  2.56  2.56
assign (resid  16 and name  HB*) (resid  16 and name   HA)  3.90  2.10  2.10
assign (resid  16 and name  HB*) (resid  16 and name  HG*)  3.87  2.07  2.07
assign (resid  16 and name  HB*) (resid  15 and name   HA)  3.90  2.10  2.10
assign (resid  16 and name   HA) (resid  19 and name   HN)  3.40  1.60  1.60
assign (resid  16 and name   HA) (resid  20 and name   HN)  3.40  1.60  1.60
assign (resid  16 and name   HA) (resid  16 and name  HG*)  3.36  1.56  1.56
assign (resid  16 and name   HA) (resid  16 and name   HN)  3.40  1.60  1.60
assign (resid  16 and name   HA) (resid  19 and name HD1*)  3.90  2.10  2.10
assign (resid  16 and name   HN) (resid  15 and name   HA)  3.40  1.60  1.60
assign (resid  16 and name   HN) (resid  17 and name   HN)  3.40  1.60  1.60
assign (resid  16 and name   HN) (resid  16 and name  HG*)  3.36  1.56  1.56
assign (resid  16 and name   HN) (resid  16 and name  HB*)  3.36  1.56  1.56
assign (resid  16 and name   HN) (resid  18 and name   HN)  3.40  1.60  1.60
assign (resid  17 and name  HB*) (resid  20 and name  HB*)  4.40  2.60  2.60
assign (resid  17 and name  HB*) (resid  17 and name   HN)  3.36  1.56  1.56
assign (resid  17 and name   HA) (resid  20 and name  HB*)  3.90  2.10  2.10
assign (resid  17 and name   HA) (resid  17 and name  HG*)  3.36  1.56  1.56
assign (resid  17 and name   HA) (resid  17 and name  HB*)  3.36  1.56  1.56
assign (resid  17 and name   HA) (resid  17 and name   HN)  3.40  1.60  1.60
assign (resid  17 and name   HN) (resid  17 and name  HG*)  3.90  2.10  2.10
assign (resid  17 and name   HN) (resid  18 and name   HN)  3.40  1.60  1.60
assign (resid  17 and name   HN) (resid  16 and name   HA)  3.40  1.60  1.60
assign (resid  17 and name   HN) (resid  16 and name  HG*)  3.90  2.10  2.10
assign (resid  18 and name   HN) (resid  17 and name   HA)  3.40  1.60  1.60
assign (resid  18 and name   HN) (resid  18 and name  HB*)  3.90  2.10  2.10
assign (resid  18 and name   HN) (resid  19 and name   HN)  3.40  1.60  1.60
assign (resid  18 and name   HN) (resid  20 and name   HN)  3.40  1.60  1.60
assign (resid  18 and name   HN) (resid  17 and name  HG*)  3.36  1.56  1.56
assign (resid  18 and name   HN) (resid  17 and name  HB*)  3.90  2.10  2.10
assign (resid  19 and name   HA) (resid  79 and name  HD*)  4.60  2.80  2.80
assign (resid  19 and name   HA) (resid  19 and name HD1*)  3.90  2.10  2.10
assign (resid  19 and name   HA) (resid  19 and name   HB)  3.40  1.60  1.60
assign (resid  19 and name   HA) (resid  22 and name  HD1)  3.40  1.60  1.60
assign (resid  19 and name   HA) (resid  19 and name   HN)  3.40  1.60  1.60
assign (resid  19 and name   HA) (resid  19 and name HG2*)  3.90  2.10  2.10
assign (resid  19 and name   HA) (resid  19 and name HG1*)  3.90  2.10  2.10
assign (resid  19 and name HG2*) (resid  20 and name  HB*)  4.40  2.60  2.60
assign (resid  19 and name HG2*) (resid  22 and name  HB*)  4.40  2.60  2.60
assign (resid  19 and name HG2*) (resid  16 and name  HG*)  4.40  2.60  2.60
assign (resid  19 and name HG2*) (resid  23 and name   HN)  3.90  2.10  2.10
assign (resid  19 and name HG2*) (resid  20 and name   HA)  3.90  2.10  2.10
assign (resid  19 and name HG2*) (resid  19 and name   HN)  3.90  2.10  2.10
assign (resid  19 and name HG2*) (resid  79 and name  HD*)  4.31  2.51  2.51
assign (resid  19 and name HG2*) (resid  19 and name HG1*)  4.40  2.60  2.60
assign (resid  19 and name HG2*) (resid  16 and name   HA)  3.90  2.10  2.10
assign (resid  19 and name HG2*) (resid  19 and name   HB)  3.90  2.10  2.10
assign (resid  19 and name HG2*) (resid  19 and name HD1*)  4.40  2.60  2.60
assign (resid  19 and name HG2*) (resid  20 and name   HN)  3.90  2.10  2.10
assign (resid  19 and name HG2*) (resid  75 and name  HE2)  3.90  2.10  2.10
assign (resid  19 and name   HB) (resid  20 and name  HB*)  3.90  2.10  2.10
assign (resid  19 and name   HB) (resid  19 and name HD1*)  3.90  2.10  2.10
assign (resid  19 and name   HB) (resid  16 and name   HA)  3.40  1.60  1.60
assign (resid  19 and name   HB) (resid  19 and name   HN)  3.40  1.60  1.60
assign (resid  19 and name HD1*) (resid  14 and name   HN)  3.90  2.10  2.10
assign (resid  19 and name HD1*) (resid  11 and name   HA)  3.90  2.10  2.10
assign (resid  19 and name HD1*) (resid  19 and name   HN)  3.90  2.10  2.10
assign (resid  19 and name HD1*) (resid  14 and name  HB*)  4.40  2.60  2.60
assign (resid  19 and name HD1*) (resid  15 and name   HN)  3.90  2.10  2.10
assign (resid  19 and name HD1*) (resid  75 and name  HE1)  3.90  2.10  2.10
assign (resid  19 and name HD1*) (resid  20 and name   HN)  3.90  2.10  2.10
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assign (resid  19 and name HD1*) (resid  79 and name  HD*)  5.10  3.30  3.30
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assign (resid  20 and name  HB*) (resid  20 and name   HN)  3.90  2.10  2.10
assign (resid  20 and name  HB*) (resid  19 and name   HN)  3.90  2.10  2.10
assign (resid  20 and name  HB*) (resid  19 and name   HA)  3.90  2.10  2.10
assign (resid  20 and name  HB*) (resid  19 and name HD1*)  4.40  2.60  2.60
assign (resid  20 and name  HB*) (resid  20 and name   HA)  3.90  2.10  2.10
assign (resid  20 and name  HB*) (resid  23 and name  HE*)  4.40  2.60  2.60
assign (resid  20 and name   HA) (resid  19 and name   HB)  3.40  1.60  1.60
assign (resid  20 and name   HA) (resid  23 and name   HN)  3.40  1.60  1.60
assign (resid  20 and name   HA) (resid  20 and name   HN)  3.40  1.60  1.60
assign (resid  20 and name   HA) (resid  23 and name  HG*)  3.90  2.10  2.10
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assign (resid  20 and name   HN) (resid  19 and name HG1*)  3.90  2.10  2.10
assign (resid  20 and name   HN) (resid  19 and name   HA)  3.40  1.60  1.60
assign (resid  20 and name   HN) (resid  19 and name   HB)  3.40  1.60  1.60
assign (resid  20 and name   HN) (resid  17 and name   HA)  3.40  1.60  1.60
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assign (resid  21 and name  HB*) (resid  21 and name   HA)  3.90  2.10  2.10
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assign (resid  21 and name   HN) (resid  21 and name   HA)  3.40  1.60  1.60
assign (resid  21 and name   HN) (resid  20 and name  HB*)  3.90  2.10  2.10
assign (resid  22 and name  HB*) (resid  22 and name   HN)  3.90  2.10  2.10
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assign (resid  22 and name  HB*) (resid  22 and name  HD1)  3.90  2.10  2.10
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assign (resid  23 and name  HB*) (resid  23 and name   HN)  3.90  2.10  2.10
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assign (resid  23 and name  HD*) (resid  23 and name  HG*)  3.87  2.07  2.07
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assign (resid  23 and name  HE*) (resid  23 and name  HB*)  4.40  2.60  2.60
assign (resid  23 and name   HN) (resid  22 and name   HA)  3.40  1.60  1.60
assign (resid  23 and name   HN) (resid  23 and name   HA)  3.40  1.60  1.60
assign (resid  23 and name   HN) (resid  23 and name  HG*)  3.90  2.10  2.10
assign (resid  23 and name   HN) (resid  22 and name  HB*)  3.90  2.10  2.10
assign (resid  23 and name   HN) (resid  24 and name   HN)  3.40  1.60  1.60
assign (resid  23 and name   HN) (resid  75 and name  HE1)  3.40  1.60  1.60
assign (resid  23 and name   HN) (resid  20 and name  HB*)  3.90  2.10  2.10
assign (resid  24 and name  HB*) (resid  23 and name   HN)  3.90  2.10  2.10
assign (resid  24 and name  HB*) (resid  24 and name   HN)  3.90  2.10  2.10
assign (resid  24 and name  HB*) (resid  24 and name   HA)  3.90  2.10  2.10
assign (resid  24 and name   HA) (resid  24 and name   HN)  3.40  1.60  1.60
assign (resid  24 and name   HA) (resid  27 and name  HB*)  3.90  2.10  2.10
assign (resid  24 and name   HN) (resid  23 and name  HB*)  3.90  2.10  2.10
assign (resid  24 and name   HN) (resid  23 and name   HA)  3.40  1.60  1.60
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assign (resid  25 and name  HB*) (resid  22 and name   HA)  3.90  2.10  2.10
assign (resid  25 and name  HB*) (resid  22 and name  HD2)  3.90  2.10  2.10
assign (resid  25 and name  HB*) (resid  25 and name   HN)  3.90  2.10  2.10
assign (resid  26 and name   HA) (resid  78 and name  HE1)  3.40  1.60  1.60
assign (resid  26 and name   HA) (resid  26 and name  HE1)  3.40  1.60  1.60
assign (resid  26 and name   HA) (resid  26 and name  HB*)  3.90  2.10  2.10
assign (resid  27 and name   HA) (resid  30 and name  HB*)  3.36  1.56  1.56
assign (resid  27 and name   HA) (resid  27 and name  HB*)  3.90  2.10  2.10
assign (resid  27 and name   HA) (resid  27 and name   HN)  3.40  1.60  1.60
assign (resid  27 and name   HA) (resid  26 and name   HA)  3.40  1.60  1.60
assign (resid  27 and name   HA) (resid  29 and name  HB*)  3.90  2.10  2.10
assign (resid  27 and name   HN) (resid  28 and name   HN)  3.40  1.60  1.60
assign (resid  28 and name   HA) (resid  28 and name  HB*)  3.90  2.10  2.10
assign (resid  28 and name   HA) (resid  28 and name   HN)  3.40  1.60  1.60
assign (resid  28 and name   HA) (resid  28 and name  HG*)  3.36  1.56  1.56
assign (resid  28 and name   HN) (resid  29 and name   HN)  3.40  1.60  1.60
assign (resid  28 and name   HN) (resid  27 and name   HA)  3.40  1.60  1.60
assign (resid  29 and name   HN) (resid  30 and name   HN)  3.40  1.60  1.60
assign (resid  29 and name   HN) (resid  29 and name  HB*)  3.36  1.56  1.56
assign (resid  29 and name   HN) (resid  29 and name   HA)  3.40  1.60  1.60
assign (resid  29 and name   HN) (resid  28 and name   HA)  3.40  1.60  1.60
assign (resid  29 and name   HN) (resid  26 and name   HA)  3.40  1.60  1.60
assign (resid  30 and name   HA) (resid  31 and name  HB*)  3.90  2.10  2.10
assign (resid  30 and name  HB*) (resid  30 and name   HN)  3.36  1.56  1.56
assign (resid  30 and name  HB*) (resid  30 and name   HA)  3.36  1.56  1.56
assign (resid  30 and name   HN) (resid  29 and name   HA)  3.40  1.60  1.60
assign (resid  30 and name   HN) (resid  36 and name   HN)  3.40  1.60  1.60
assign (resid  30 and name   HN) (resid  30 and name   HA)  3.40  1.60  1.60
assign (resid  30 and name   HN) (resid  31 and name   HN)  3.40  1.60  1.60
assign (resid  30 and name   HN) (resid  27 and name   HA)  3.40  1.60  1.60
assign (resid  30 and name   HN) (resid  29 and name  HB*)  3.90  2.10  2.10
assign (resid  31 and name  HB*) (resid  31 and name   HN)  3.90  2.10  2.10
assign (resid  31 and name  HB*) (resid  32 and name   HN)  3.90  2.10  2.10
assign (resid  31 and name   HA) (resid  30 and name   HA)  3.40  1.60  1.60
assign (resid  31 and name   HA) (resid  31 and name   HN)  3.40  1.60  1.60
assign (resid  31 and name   HA) (resid  31 and name  HB*)  3.90  2.10  2.10
assign (resid  31 and name   HN) (resid  30 and name   HA)  3.40  1.60  1.60
assign (resid  31 and name   HN) (resid  32 and name   HN)  3.40  1.60  1.60
assign (resid  31 and name   HN) (resid  33 and name   HN)  3.40  1.60  1.60
assign (resid  31 and name   HN) (resid  30 and name  HB*)  3.36  1.56  1.56
assign (resid  32 and name  HB*) (resid  32 and name   HA)  3.36  1.56  1.56
assign (resid  32 and name  HB*) (resid  32 and name   HN)  3.36  1.56  1.56
assign (resid  32 and name   HN) (resid  33 and name   HN)  3.40  1.60  1.60
assign (resid  32 and name   HN) (resid  32 and name   HA)  3.40  1.60  1.60
assign (resid  32 and name   HN) (resid  31 and name   HA)  3.40  1.60  1.60
assign (resid  33 and name  HA*) (resid  33 and name   HN)  3.90  2.10  2.10
assign (resid  33 and name  HA*) (resid  34 and name   HN)  3.90  2.10  2.10
assign (resid  33 and name   HN) (resid  32 and name  HB*)  3.36  1.56  1.56
assign (resid  33 and name   HN) (resid  32 and name   HA)  3.40  1.60  1.60
assign (resid  33 and name   HN) (resid  34 and name   HN)  3.40  1.60  1.60
assign (resid  33 and name   HN) (resid  31 and name   HA)  3.40  1.60  1.60
assign (resid  33 and name   HN) (resid  35 and name   HN)  3.40  1.60  1.60
assign (resid  34 and name  HA*) (resid  34 and name   HN)  3.36  1.56  1.56
assign (resid  34 and name   HN) (resid  35 and name  HA*)  3.90  2.10  2.10
assign (resid  34 and name   HN) (resid  30 and name   HA)  3.40  1.60  1.60
assign (resid  34 and name   HN) (resid  36 and name   HN)  3.40  1.60  1.60
assign (resid  34 and name   HN) (resid  35 and name   HN)  3.40  1.60  1.60
assign (resid  35 and name  HA*) (resid  35 and name   HN)  3.36  1.56  1.56
assign (resid  35 and name  HA*) (resid  36 and name   HN)  3.36  1.56  1.56
assign (resid  35 and name   HN) (resid  36 and name   HN)  3.40  1.60  1.60
assign (resid  35 and name   HN) (resid  34 and name  HA*)  3.90  2.10  2.10
assign (resid  36 and name   HA) (resid  36 and name  HB*)  3.36  1.56  1.56
assign (resid  36 and name  HB*) (resid  35 and name  HA*)  4.40  2.60  2.60
assign (resid  36 and name   HN) (resid  36 and name   HA)  3.40  1.60  1.60
assign (resid  36 and name   HN) (resid  74 and name   HA)  3.40  1.60  1.60
assign (resid  36 and name   HN) (resid  37 and name   HN)  3.40  1.60  1.60
assign (resid  36 and name   HN) (resid  36 and name  HB*)  3.36  1.56  1.56
assign (resid  37 and name HG1*) (resid  37 and name HD1*)  4.40  2.60  2.60
assign (resid  37 and name HG1*) (resid  37 and name   HA)  3.90  2.10  2.10
assign (resid  37 and name   HB) (resid  37 and name HD1*)  3.90  2.10  2.10
assign (resid  37 and name   HB) (resid  37 and name   HN)  3.40  1.60  1.60
assign (resid  37 and name   HB) (resid  73 and name HD1*)  3.90  2.10  2.10
assign (resid  37 and name   HB) (resid  37 and name HG2*)  3.90  2.10  2.10
assign (resid  37 and name   HB) (resid  37 and name HG1*)  3.90  2.10  2.10
assign (resid  37 and name   HA) (resid  37 and name   HN)  3.40  1.60  1.60
assign (resid  37 and name   HA) (resid  37 and name HD1*)  3.90  2.10  2.10
assign (resid  37 and name   HA) (resid  37 and name HG2*)  3.90  2.10  2.10
assign (resid  37 and name HG2*) (resid  42 and name  HB*)  4.40  2.60  2.60
assign (resid  37 and name HG2*) (resid  38 and name   HN)  3.90  2.10  2.10
assign (resid  37 and name HG2*) (resid  37 and name HD1*)  4.40  2.60  2.60
assign (resid  37 and name HG2*) (resid  30 and name  HB*)  4.40  2.60  2.60
assign (resid  37 and name HG2*) (resid  37 and name HG1*)  4.40  2.60  2.60
assign (resid  37 and name   HN) (resid  37 and name HG2*)  3.90  2.10  2.10
assign (resid  37 and name   HN) (resid  36 and name   HA)  3.40  1.60  1.60
assign (resid  37 and name   HN) (resid  73 and name   HB)  3.40  1.60  1.60
assign (resid  37 and name   HN) (resid  37 and name HG1*)  3.90  2.10  2.10
assign (resid  37 and name   HN) (resid  37 and name HD1*)  3.90  2.10  2.10
assign (resid  37 and name   HN) (resid  74 and name   HA)  3.40  1.60  1.60
assign (resid  37 and name   HN) (resid  73 and name   HN)  3.40  1.60  1.60
assign (resid  37 and name   HN) (resid  36 and name  HB*)  3.36  1.56  1.56
assign (resid  38 and name  HB*) (resid  39 and name   HN)  3.36  1.56  1.56
assign (resid  38 and name  HB*) (resid  38 and name   HN)  3.36  1.56  1.56
assign (resid  38 and name  HB*) (resid  38 and name   HA)  3.36  1.56  1.56
assign (resid  38 and name  HB*) (resid  72 and name HG2*)  3.87  2.07  2.07
assign (resid  38 and name   HN) (resid  41 and name   HN)  3.40  1.60  1.60
assign (resid  38 and name   HN) (resid  38 and name   HA)  3.40  1.60  1.60
assign (resid  38 and name   HN) (resid  37 and name   HA)  3.40  1.60  1.60
assign (resid  38 and name   HN) (resid  37 and name   HN)  3.40  1.60  1.60
assign (resid  38 and name   HN) (resid  39 and name   HN)  3.40  1.60  1.60
assign (resid  38 and name   HN) (resid  37 and name HG1*)  3.90  2.10  2.10
assign (resid  39 and name   HB) (resid  39 and name   HN)  3.40  1.60  1.60
assign (resid  39 and name   HB) (resid  39 and name HG2*)  3.90  2.10  2.10
assign (resid  39 and name   HB) (resid  42 and name  HD*)  3.80  2.00  2.00
assign (resid  39 and name   HB) (resid  59 and name   HA)  3.40  1.60  1.60
assign (resid  39 and name   HB) (resid  39 and name   HA)  3.40  1.60  1.60
assign (resid  39 and name   HA) (resid  42 and name  HB*)  3.90  2.10  2.10
assign (resid  39 and name   HA) (resid  39 and name   HN)  3.40  1.60  1.60
assign (resid  39 and name   HA) (resid  39 and name HG2*)  3.90  2.10  2.10
assign (resid  39 and name   HA) (resid  62 and name HD1*)  3.90  2.10  2.10
assign (resid  39 and name HG2*) (resid  59 and name   HN)  3.90  2.10  2.10
assign (resid  39 and name HG2*) (resid  62 and name HG1*)  3.87  2.07  2.07
assign (resid  39 and name HG2*) (resid  58 and name   HN)  3.90  2.10  2.10
assign (resid  39 and name HG2*) (resid  58 and name  HB*)  4.40  2.60  2.60
assign (resid  39 and name HG2*) (resid  62 and name HG2*)  4.40  2.60  2.60
assign (resid  39 and name HG2*) (resid  39 and name   HN)  3.90  2.10  2.10
assign (resid  39 and name HG2*) (resid  58 and name  HD*)  5.10  3.30  3.30
assign (resid  39 and name HG2*) (resid  62 and name HD1*)  4.40  2.60  2.60
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assign (resid  39 and name HG2*) (resid  59 and name   HA)  3.90  2.10  2.10
assign (resid  39 and name HG2*) (resid  38 and name  HB*)  3.87  2.07  2.07
assign (resid  39 and name HG2*) (resid  38 and name   HA)  3.90  2.10  2.10
assign (resid  39 and name HG2*) (resid  66 and name  HB*)  4.40  2.60  2.60
assign (resid  39 and name   HN) (resid  62 and name HD1*)  3.90  2.10  2.10
assign (resid  39 and name   HN) (resid  38 and name   HA)  3.40  1.60  1.60
assign (resid  39 and name   HN) (resid  40 and name   HN)  3.40  1.60  1.60
assign (resid  40 and name  HD*) (resid  40 and name   HA)  3.90  2.10  2.10
assign (resid  40 and name  HD*) (resid  40 and name   HN)  3.90  2.10  2.10
assign (resid  40 and name  HD*) (resid  40 and name  HE*)  4.40  2.60  2.60
assign (resid  40 and name  HD*) (resid  40 and name  HG*)  3.87  2.07  2.07
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assign (resid  40 and name  HG*) (resid  40 and name   HN)  3.36  1.56  1.56
assign (resid  40 and name  HG*) (resid  40 and name  HE*)  3.87  2.07  2.07
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assign (resid  40 and name  HG*) (resid  40 and name   HA)  3.36  1.56  1.56
assign (resid  40 and name  HE*) (resid  41 and name   HA)  3.90  2.10  2.10
assign (resid  40 and name  HE*) (resid  40 and name  HB*)  4.40  2.60  2.60
assign (resid  40 and name   HA) (resid  40 and name   HN)  3.40  1.60  1.60
assign (resid  40 and name   HA) (resid  40 and name  HB*)  3.36  1.56  1.56
assign (resid  40 and name   HN) (resid  39 and name HG2*)  3.90  2.10  2.10
assign (resid  40 and name   HN) (resid  40 and name  HB*)  3.36  1.56  1.56
assign (resid  40 and name   HN) (resid  39 and name   HA)  3.40  1.60  1.60
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assign (resid  41 and name   HN) (resid  40 and name  HG*)  3.90  2.10  2.10
assign (resid  41 and name   HN) (resid  40 and name  HD*)  3.90  2.10  2.10
assign (resid  41 and name   HN) (resid  40 and name  HB*)  3.36  1.56  1.56
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assign (resid  42 and name  HD*) (resid  42 and name   HA)  4.60  2.80  2.80
assign (resid  42 and name   HN) (resid  41 and name   HA)  3.40  1.60  1.60
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assign (resid  42 and name   HN) (resid  42 and name  HB*)  3.90  2.10  2.10
assign (resid  42 and name   HN) (resid  41 and name  HG*)  3.90  2.10  2.10
assign (resid  42 and name   HN) (resid  42 and name  HD*)  4.60  2.80  2.80
assign (resid  42 and name   HN) (resid  39 and name   HA)  3.40  1.60  1.60
assign (resid  42 and name   HN) (resid  42 and name   HA)  3.40  1.60  1.60
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assign (resid  43 and name  HA*) (resid  43 and name   HN)  3.36  1.56  1.56
assign (resid  43 and name   HN) (resid  44 and name   HN)  3.40  1.60  1.60
assign (resid  43 and name   HN) (resid  41 and name   HN)  3.40  1.60  1.60
assign (resid  43 and name   HN) (resid  45 and name   HN)  3.40  1.60  1.60
assign (resid  43 and name   HN) (resid  40 and name   HA)  3.40  1.60  1.60
assign (resid  43 and name   HN) (resid  42 and name  HB*)  3.90  2.10  2.10
assign (resid  43 and name   HN) (resid  42 and name  HD*)  3.80  2.00  2.00
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assign (resid  44 and name   HB) (resid  44 and name HG2*)  3.90  2.10  2.10
assign (resid  44 and name   HB) (resid  41 and name   HA)  3.40  1.60  1.60
assign (resid  44 and name   HB) (resid  44 and name   HA)  3.40  1.60  1.60
assign (resid  44 and name   HB) (resid  45 and name   HN)  3.40  1.60  1.60
assign (resid  44 and name   HA) (resid  47 and name  HB*)  3.90  2.10  2.10
assign (resid  44 and name   HA) (resid  44 and name HG2*)  3.90  2.10  2.10
assign (resid  44 and name   HA) (resid  47 and name   HA)  3.40  1.60  1.60
assign (resid  44 and name   HA) (resid  44 and name   HN)  3.40  1.60  1.60
assign (resid  44 and name HG2*) (resid  45 and name  HG*)  5.10  3.30  3.30
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assign (resid  44 and name HG2*) (resid  41 and name   HA)  3.90  2.10  2.10
assign (resid  44 and name HG2*) (resid  47 and name  HB*)  4.40  2.60  2.60
assign (resid  44 and name HG2*) (resid  44 and name   HN)  3.90  2.10  2.10
assign (resid  44 and name HG2*) (resid  45 and name   HN)  3.90  2.10  2.10
assign (resid  44 and name   HN) (resid  58 and name   HG)  3.40  1.60  1.60
assign (resid  44 and name   HN) (resid  41 and name   HA)  3.40  1.60  1.60
assign (resid  44 and name   HN) (resid  45 and name   HN)  3.40  1.60  1.60
assign (resid  44 and name   HN) (resid  43 and name  HA*)  3.36  1.56  1.56
assign (resid  45 and name   HB) (resid  46 and name   HN)  3.40  1.60  1.60
assign (resid  45 and name   HB) (resid  45 and name   HN)  3.40  1.60  1.60
assign (resid  45 and name   HB) (resid  37 and name HG2*)  3.90  2.10  2.10
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assign (resid  45 and name  HG*) (resid  29 and name  HD1)  4.60  2.80  2.80
assign (resid  45 and name  HG*) (resid  45 and name   HB)  4.60  2.80  2.80
assign (resid  45 and name  HG*) (resid  45 and name   HN)  4.60  2.80  2.80
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assign (resid  45 and name   HN) (resid  46 and name  HB*)  3.90  2.10  2.10
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assign (resid  47 and name  HG*) (resid  47 and name   HN)  3.90  2.10  2.10
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assign (resid  47 and name  HD*) (resid  47 and name   HA)  3.90  2.10  2.10
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assign (resid  50 and name   HN) (resid  49 and name  HB*)  3.90  2.10  2.10
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assign (resid  51 and name  HB*) (resid  51 and name   HN)  3.36  1.56  1.56
assign (resid  51 and name  HG*) (resid  51 and name   HA)  3.90  2.10  2.10
assign (resid  51 and name  HG*) (resid  51 and name   HN)  3.90  2.10  2.10
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assign (resid  51 and name   HN) (resid  53 and name  HB*)  3.90  2.10  2.10
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assign (resid  52 and name   HA) (resid  52 and name  HB*)  3.36  1.56  1.56
assign (resid  52 and name   HA) (resid  53 and name  HD*)  3.36  1.56  1.56
assign (resid  52 and name   HA) (resid  53 and name  HB*)  3.90  2.10  2.10
assign (resid  52 and name   HA) (resid  52 and name   HN)  3.40  1.60  1.60
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assign (resid  52 and name  HB*) (resid  53 and name   HA)  3.36  1.56  1.56
assign (resid  52 and name   HN) (resid  53 and name  HD*)  3.90  2.10  2.10
assign (resid  52 and name   HN) (resid  51 and name   HA)  3.40  1.60  1.60
assign (resid  52 and name   HN) (resid  52 and name  HB*)  3.36  1.56  1.56
assign (resid  52 and name   HN) (resid  51 and name  HB*)  3.36  1.56  1.56
assign (resid  52 and name   HN) (resid  51 and name  HG*)  3.90  2.10  2.10
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assign (resid  53 and name  HB*) (resid  53 and name   HA)  3.36  1.56  1.56
assign (resid  53 and name  HB*) (resid  58 and name  HD*)  5.10  3.30  3.30
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assign (resid  53 and name  HG*) (resid  58 and name  HD*)  4.31  2.51  2.51
assign (resid  54 and name HG2*) (resid  57 and name   HN)  3.90  2.10  2.10
assign (resid  54 and name HG2*) (resid  55 and name   HN)  3.90  2.10  2.10
assign (resid  54 and name HG2*) (resid  54 and name   HN)  3.90  2.10  2.10
assign (resid  54 and name HG2*) (resid  58 and name  HD*)  5.10  3.30  3.30
assign (resid  54 and name HG2*) (resid  54 and name   HA)  3.90  2.10  2.10
assign (resid  54 and name HG2*) (resid  54 and name   HB)  3.90  2.10  2.10
assign (resid  54 and name HG2*) (resid  57 and name   HA)  3.90  2.10  2.10
assign (resid  54 and name HG2*) (resid  56 and name  HB*)  4.40  2.60  2.60
assign (resid  54 and name HG2*) (resid  55 and name  HG*)  4.40  2.60  2.60
assign (resid  54 and name HG2*) (resid  55 and name  HB*)  4.40  2.60  2.60
assign (resid  54 and name HG2*) (resid  55 and name   HA)  3.90  2.10  2.10
assign (resid  54 and name   HA) (resid  55 and name  HB*)  3.36  1.56  1.56
assign (resid  54 and name   HA) (resid  54 and name   HB)  3.40  1.60  1.60
assign (resid  54 and name   HA) (resid  55 and name   HN)  3.40  1.60  1.60
assign (resid  54 and name   HA) (resid  54 and name   HN)  3.40  1.60  1.60
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assign (resid  54 and name   HN) (resid  57 and name  HG*)  3.90  2.10  2.10
assign (resid  54 and name   HN) (resid  53 and name  HB*)  3.36  1.56  1.56
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assign (resid  54 and name   HN) (resid  55 and name   HN)  3.40  1.60  1.60
assign (resid  54 and name   HN) (resid  54 and name   HB)  3.40  1.60  1.60
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assign (resid  55 and name  HB*) (resid  55 and name   HN)  3.36  1.56  1.56
assign (resid  55 and name  HB*) (resid  55 and name  HG*)  3.87  2.07  2.07
assign (resid  55 and name  HB*) (resid  54 and name   HB)  3.90  2.10  2.10
assign (resid  55 and name  HB*) (resid  56 and name   HA)  3.36  1.56  1.56
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assign (resid  55 and name  HD*) (resid  55 and name  HG*)  3.87  2.07  2.07
assign (resid  55 and name  HD*) (resid  55 and name   HN)  3.36  1.56  1.56
assign (resid  55 and name  HG*) (resid  56 and name  HG*)  4.40  2.60  2.60
assign (resid  55 and name  HG*) (resid  56 and name   HA)  3.90  2.10  2.10
assign (resid  55 and name  HG*) (resid  55 and name  HE*)  4.40  2.60  2.60
assign (resid  55 and name  HG*) (resid  55 and name   HN)  3.90  2.10  2.10
assign (resid  55 and name  HG*) (resid  55 and name   HA)  3.90  2.10  2.10
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assign (resid  55 and name   HA) (resid  54 and name   HB)  3.40  1.60  1.60
assign (resid  55 and name   HA) (resid  58 and name   HN)  3.40  1.60  1.60
assign (resid  55 and name   HA) (resid  58 and name  HB*)  3.90  2.10  2.10
assign (resid  55 and name   HA) (resid  55 and name   HN)  3.40  1.60  1.60
assign (resid  55 and name   HA) (resid  58 and name  HD*)  4.60  2.80  2.80
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assign (resid  56 and name   HA) (resid  56 and name  HB*)  3.36  1.56  1.56
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assign (resid  56 and name   HA) (resid  56 and name   HN)  3.40  1.60  1.60
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assign (resid  56 and name   HA) (resid  57 and name   HN)  3.40  1.60  1.60
assign (resid  56 and name  HG*) (resid  57 and name   HN)  3.36  1.56  1.56
assign (resid  56 and name  HG*) (resid  56 and name   HN)  3.36  1.56  1.56
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assign (resid  56 and name   HN) (resid  56 and name  HB*)  3.36  1.56  1.56
assign (resid  56 and name   HN) (resid  55 and name  HD*)  3.36  1.56  1.56
assign (resid  56 and name   HN) (resid  54 and name   HB)  3.40  1.60  1.60
assign (resid  56 and name   HN) (resid  55 and name   HA)  3.40  1.60  1.60
assign (resid  56 and name   HN) (resid  54 and name HG2*)  3.90  2.10  2.10
assign (resid  56 and name   HN) (resid  54 and name   HA)  3.40  1.60  1.60
assign (resid  56 and name   HN) (resid  59 and name  HB*)  3.90  2.10  2.10
assign (resid  56 and name   HN) (resid  55 and name  HG*)  3.90  2.10  2.10
assign (resid  56 and name   HN) (resid  55 and name  HB*)  3.90  2.10  2.10
assign (resid  56 and name   HN) (resid  59 and name   HN)  3.40  1.60  1.60
assign (resid  56 and name   HN) (resid  55 and name   HN)  3.40  1.60  1.60
assign (resid  57 and name   HA) (resid  61 and name HD1*)  3.90  2.10  2.10
assign (resid  57 and name   HA) (resid  56 and name  HG*)  3.90  2.10  2.10
assign (resid  57 and name   HA) (resid  60 and name  HB*)  3.90  2.10  2.10
assign (resid  57 and name   HA) (resid  57 and name   HN)  3.40  1.60  1.60
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assign (resid  57 and name   HN) (resid  56 and name  HB*)  3.36  1.56  1.56
assign (resid  57 and name   HN) (resid  59 and name   HN)  3.40  1.60  1.60
assign (resid  57 and name   HN) (resid  57 and name  HG*)  3.90  2.10  2.10
assign (resid  58 and name   HG) (resid  58 and name   HN)  3.40  1.60  1.60
assign (resid  58 and name   HG) (resid  58 and name   HA)  3.40  1.60  1.60
assign (resid  58 and name   HG) (resid  53 and name  HB*)  3.36  1.56  1.56
assign (resid  58 and name   HG) (resid  58 and name  HD*)  3.80  2.00  2.00
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assign (resid  58 and name  HB*) (resid  58 and name   HN)  3.90  2.10  2.10
assign (resid  58 and name  HB*) (resid  58 and name   HG)  3.90  2.10  2.10
assign (resid  58 and name  HB*) (resid  58 and name   HA)  3.90  2.10  2.10
assign (resid  58 and name   HN) (resid  58 and name   HA)  3.40  1.60  1.60
assign (resid  58 and name   HN) (resid  53 and name  HB*)  3.90  2.10  2.10
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assign (resid  60 and name  HB*) (resid  60 and name   HN)  3.90  2.10  2.10
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assign (resid  61 and name   HA) (resid  61 and name   HN)  3.40  1.60  1.60
assign (resid  61 and name   HA) (resid  61 and name HG2*)  3.90  2.10  2.10
assign (resid  61 and name   HA) (resid  61 and name   HB)  3.40  1.60  1.60
assign (resid  61 and name   HA) (resid  61 and name HG1*)  3.90  2.10  2.10
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assign (resid  61 and name HG2*) (resid  61 and name   HN)  3.90  2.10  2.10
assign (resid  61 and name HG2*) (resid  64 and name  HG*)  4.40  2.60  2.60
assign (resid  61 and name HG2*) (resid  62 and name   HN)  3.90  2.10  2.10
assign (resid  61 and name HG2*) (resid  61 and name   HB)  3.90  2.10  2.10
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assign (resid  61 and name HG2*) (resid  58 and name   HA)  3.90  2.10  2.10
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assign (resid  61 and name HG2*) (resid  62 and name   HA)  3.90  2.10  2.10
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assign (resid  61 and name HD1*) (resid  60 and name   HN)  3.90  2.10  2.10
assign (resid  61 and name HD1*) (resid  57 and name  HG*)  4.40  2.60  2.60
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assign (resid  61 and name HD1*) (resid  42 and name   HG)  3.90  2.10  2.10
assign (resid  61 and name HD1*) (resid  61 and name   HB)  3.90  2.10  2.10
assign (resid  61 and name HD1*) (resid  61 and name   HA)  3.90  2.10  2.10
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assign (resid  61 and name HD1*) (resid  62 and name   HN)  3.90  2.10  2.10
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assign (resid  61 and name   HN) (resid  58 and name   HA)  3.40  1.60  1.60
assign (resid  61 and name   HN) (resid  60 and name  HB*)  3.90  2.10  2.10
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assign (resid  62 and name HG1*) (resid  61 and name   HB)  3.90  2.10  2.10
assign (resid  62 and name HG1*) (resid  62 and name HG2*)  3.87  2.07  2.07
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assign (resid  62 and name   HA) (resid  63 and name   HN)  3.40  1.60  1.60
assign (resid  62 and name   HA) (resid  62 and name   HN)  3.40  1.60  1.60
assign (resid  62 and name   HA) (resid  62 and name   HB)  3.40  1.60  1.60
assign (resid  62 and name   HA) (resid  62 and name HG2*)  3.90  2.10  2.10
assign (resid  62 and name   HB) (resid  62 and name HG1*)  3.36  1.56  1.56
assign (resid  62 and name   HB) (resid  63 and name   HN)  3.40  1.60  1.60
assign (resid  62 and name   HB) (resid  62 and name   HN)  3.40  1.60  1.60
assign (resid  62 and name   HB) (resid  62 and name HG2*)  3.90  2.10  2.10
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assign (resid  62 and name HG2*) (resid  62 and name   HN)  3.90  2.10  2.10
assign (resid  62 and name HG2*) (resid  62 and name HD1*)  4.40  2.60  2.60
assign (resid  62 and name HG2*) (resid  63 and name   HA)  3.90  2.10  2.10
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assign (resid  62 and name HG2*) (resid  66 and name   HN)  3.90  2.10  2.10
assign (resid  62 and name HG2*) (resid  63 and name   HN)  3.90  2.10  2.10
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assign (resid  62 and name HD1*) (resid  72 and name   HA)  3.90  2.10  2.10
assign (resid  62 and name HD1*) (resid  66 and name   HA)  3.90  2.10  2.10
assign (resid  62 and name HD1*) (resid  39 and name   HB)  3.90  2.10  2.10
assign (resid  62 and name HD1*) (resid  62 and name   HB)  3.90  2.10  2.10
assign (resid  62 and name HD1*) (resid  63 and name   HN)  3.90  2.10  2.10
assign (resid  62 and name HD1*) (resid  62 and name HG1*)  3.87  2.07  2.07
assign (resid  62 and name HD1*) (resid  62 and name   HA)  3.90  2.10  2.10
assign (resid  62 and name HD1*) (resid  73 and name HG2*)  4.40  2.60  2.60
assign (resid  62 and name HD1*) (resid  62 and name   HN)  3.90  2.10  2.10
assign (resid  62 and name   HN) (resid  63 and name   HN)  3.40  1.60  1.60
assign (resid  62 and name   HN) (resid  61 and name   HA)  3.40  1.60  1.60
assign (resid  63 and name  HB*) (resid  64 and name   HN)  3.36  1.56  1.56
assign (resid  63 and name  HB*) (resid  63 and name   HA)  3.36  1.56  1.56
assign (resid  63 and name  HB*) (resid  60 and name  HB*)  4.40  2.60  2.60
assign (resid  63 and name  HB*) (resid  63 and name   HN)  3.36  1.56  1.56
assign (resid  63 and name  HB*) (resid  60 and name   HA)  3.90  2.10  2.10
assign (resid  63 and name  HB*) (resid  63 and name  HG*)  3.87  2.07  2.07
assign (resid  63 and name   HA) (resid  63 and name   HN)  3.40  1.60  1.60
assign (resid  63 and name   HA) (resid  66 and name  HB*)  3.36  1.56  1.56
assign (resid  63 and name   HN) (resid  59 and name  HB*)  3.90  2.10  2.10
assign (resid  63 and name   HN) (resid  63 and name  HG*)  3.36  1.56  1.56
assign (resid  63 and name   HN) (resid  64 and name   HN)  3.40  1.60  1.60
assign (resid  64 and name   HA) (resid  64 and name   HN)  3.40  1.60  1.60
assign (resid  64 and name   HN) (resid  64 and name  HG*)  3.36  1.56  1.56
assign (resid  64 and name   HN) (resid  65 and name   HN)  3.40  1.60  1.60
assign (resid  64 and name   HN) (resid  66 and name   HN)  3.40  1.60  1.60
assign (resid  64 and name   HN) (resid  63 and name   HA)  3.40  1.60  1.60
assign (resid  64 and name   HN) (resid  64 and name  HB*)  3.36  1.56  1.56
assign (resid  64 and name   HN) (resid  63 and name  HG*)  3.36  1.56  1.56
assign (resid  64 and name   HN) (resid  61 and name   HA)  3.40  1.60  1.60
assign (resid  65 and name  HG*) (resid  66 and name  HB*)  4.31  2.51  2.51
assign (resid  65 and name  HG*) (resid  73 and name HG1*)  5.10  3.30  3.30
assign (resid  65 and name  HG*) (resid  65 and name   HN)  3.80  2.00  2.00
assign (resid  65 and name  HG*) (resid  73 and name   HB)  4.60  2.80  2.80
assign (resid  65 and name  HG*) (resid  73 and name HG2*)  4.31  2.51  2.51
assign (resid  65 and name  HG*) (resid  65 and name   HA)  3.80  2.00  2.00
assign (resid  65 and name  HG*) (resid  81 and name   HA)  4.60  2.80  2.80
assign (resid  65 and name  HG*) (resid  81 and name  HE*)  5.10  3.30  3.30
assign (resid  65 and name  HG*) (resid  64 and name  HG*)  5.10  3.30  3.30
assign (resid  65 and name  HG*) (resid  65 and name   HB)  3.80  2.00  2.00
assign (resid  65 and name  HG*) (resid  84 and name  HD*)  5.10  3.30  3.30
assign (resid  65 and name  HG*) (resid  66 and name   HA)  4.60  2.80  2.80
assign (resid  65 and name  HG*) (resid  66 and name   HN)  4.60  2.80  2.80
assign (resid  65 and name  HG*) (resid  81 and name   HN)  4.60  2.80  2.80
assign (resid  65 and name  HG*) (resid  62 and name   HA)  4.60  2.80  2.80
assign (resid  65 and name  HG*) (resid  64 and name  HB*)  5.10  3.30  3.30
assign (resid  65 and name  HG*) (resid  62 and name HG2*)  5.10  3.30  3.30
assign (resid  65 and name  HG*) (resid  62 and name HG1*)  5.10  3.30  3.30
assign (resid  65 and name   HA) (resid  65 and name   HN)  3.40  1.60  1.60
assign (resid  65 and name   HA) (resid  64 and name  HG*)  3.90  2.10  2.10
assign (resid  65 and name   HA) (resid  65 and name   HB)  3.40  1.60  1.60
assign (resid  65 and name   HB) (resid  66 and name   HN)  3.40  1.60  1.60
assign (resid  65 and name   HB) (resid  65 and name   HN)  3.40  1.60  1.60
assign (resid  65 and name   HN) (resid  64 and name   HA)  3.40  1.60  1.60
assign (resid  65 and name   HN) (resid  66 and name   HN)  3.40  1.60  1.60
assign (resid  65 and name   HN) (resid  64 and name  HG*)  3.36  1.56  1.56
assign (resid  65 and name   HN) (resid  64 and name  HB*)  3.36  1.56  1.56
assign (resid  66 and name  HB*) (resid  66 and name   HA)  3.36  1.56  1.56
assign (resid  66 and name   HN) (resid  66 and name   HA)  3.40  1.60  1.60
assign (resid  66 and name   HN) (resid  66 and name  HB*)  3.36  1.56  1.56
assign (resid  67 and name   HA) (resid  68 and name   HN)  3.40  1.60  1.60
assign (resid  67 and name   HA) (resid  67 and name  HB*)  3.90  2.10  2.10
assign (resid  67 and name   HA) (resid  67 and name   HN)  3.40  1.60  1.60
assign (resid  67 and name   HA) (resid  67 and name  HG*)  3.36  1.56  1.56
assign (resid  67 and name   HN) (resid  66 and name   HA)  3.40  1.60  1.60
assign (resid  67 and name   HN) (resid  68 and name   HN)  3.40  1.60  1.60
assign (resid  67 and name   HN) (resid  66 and name  HB*)  3.36  1.56  1.56
assign (resid  67 and name   HN) (resid  67 and name  HG*)  3.36  1.56  1.56
assign (resid  67 and name   HN) (resid  67 and name  HB*)  3.36  1.56  1.56
assign (resid  67 and name   HN) (resid  66 and name   HN)  3.40  1.60  1.60
assign (resid  67 and name   HN) (resid  65 and name   HN)  3.40  1.60  1.60
assign (resid  68 and name  HB*) (resid  67 and name  HG*)  4.40  2.60  2.60
assign (resid  68 and name  HB*) (resid  68 and name   HA)  3.36  1.56  1.56
assign (resid  68 and name  HB*) (resid  68 and name   HN)  3.36  1.56  1.56
assign (resid  68 and name   HN) (resid  69 and name  HA*)  3.90  2.10  2.10
assign (resid  68 and name   HN) (resid  69 and name   HN)  3.40  1.60  1.60
assign (resid  68 and name   HN) (resid  67 and name  HG*)  3.36  1.56  1.56
assign (resid  68 and name   HN) (resid  68 and name   HA)  3.40  1.60  1.60
assign (resid  68 and name   HN) (resid  67 and name  HB*)  3.36  1.56  1.56
assign (resid  69 and name  HA*) (resid  70 and name   HN)  3.36  1.56  1.56
assign (resid  69 and name  HA*) (resid  69 and name   HN)  3.36  1.56  1.56
assign (resid  69 and name   HN) (resid  68 and name  HB*)  3.36  1.56  1.56
assign (resid  69 and name   HN) (resid  67 and name   HA)  3.40  1.60  1.60
assign (resid  69 and name   HN) (resid  68 and name   HA)  3.40  1.60  1.60
assign (resid  69 and name   HN) (resid  70 and name   HN)  3.40  1.60  1.60
assign (resid  69 and name   HN) (resid  71 and name   HN)  3.40  1.60  1.60
assign (resid  70 and name  HB*) (resid  68 and name  HB*)  4.40  2.60  2.60
assign (resid  70 and name  HB*) (resid  70 and name   HN)  3.36  1.56  1.56
assign (resid  70 and name  HB*) (resid  72 and name   HN)  3.90  2.10  2.10
assign (resid  70 and name   HA) (resid  72 and name   HN)  3.40  1.60  1.60
assign (resid  70 and name   HA) (resid  70 and name  HB*)  3.90  2.10  2.10
assign (resid  70 and name   HA) (resid  70 and name   HN)  3.40  1.60  1.60
assign (resid  70 and name   HN) (resid  71 and name  HA*)  3.90  2.10  2.10
assign (resid  70 and name   HN) (resid  72 and name   HN)  3.40  1.60  1.60
assign (resid  70 and name   HN) (resid  68 and name   HN)  3.40  1.60  1.60
assign (resid  70 and name   HN) (resid  71 and name   HN)  3.40  1.60  1.60
assign (resid  71 and name  HA*) (resid  71 and name   HN)  3.36  1.56  1.56
assign (resid  71 and name  HA*) (resid  72 and name   HN)  3.36  1.56  1.56
assign (resid  71 and name   HN) (resid  72 and name   HN)  3.40  1.60  1.60
assign (resid  71 and name   HN) (resid  69 and name  HA*)  3.90  2.10  2.10
assign (resid  71 and name   HN) (resid  70 and name  HB*)  3.36  1.56  1.56
assign (resid  72 and name   HB) (resid  72 and name   HA)  3.40  1.60  1.60
assign (resid  72 and name   HB) (resid  72 and name HG2*)  3.90  2.10  2.10
assign (resid  72 and name   HB) (resid  73 and name   HN)  3.40  1.60  1.60
assign (resid  72 and name   HB) (resid  36 and name  HB*)  3.90  2.10  2.10
assign (resid  72 and name HG2*) (resid  70 and name  HB*)  4.40  2.60  2.60
assign (resid  72 and name HG2*) (resid  70 and name   HN)  3.90  2.10  2.10
assign (resid  72 and name HG2*) (resid  39 and name HG2*)  4.40  2.60  2.60
assign (resid  72 and name HG2*) (resid  73 and name   HA)  3.90  2.10  2.10
assign (resid  72 and name HG2*) (resid  72 and name   HN)  3.90  2.10  2.10
assign (resid  72 and name HG2*) (resid  62 and name HG2*)  4.40  2.60  2.60
assign (resid  72 and name HG2*) (resid  73 and name HG1*)  4.40  2.60  2.60
assign (resid  72 and name HG2*) (resid  72 and name   HA)  3.90  2.10  2.10
assign (resid  72 and name HG2*) (resid  73 and name   HN)  3.90  2.10  2.10
assign (resid  72 and name HG2*) (resid  71 and name  HA*)  3.87  2.07  2.07
assign (resid  72 and name HG2*) (resid  36 and name  HB*)  3.87  2.07  2.07
assign (resid  72 and name   HN) (resid  72 and name   HA)  3.40  1.60  1.60
assign (resid  72 and name   HN) (resid  66 and name   HA)  3.40  1.60  1.60
assign (resid  72 and name   HN) (resid  73 and name   HN)  3.40  1.60  1.60
assign (resid  73 and name HG1*) (resid  73 and name   HB)  3.90  2.10  2.10
assign (resid  73 and name HG1*) (resid  62 and name HG2*)  4.40  2.60  2.60
assign (resid  73 and name HG1*) (resid  73 and name   HA)  3.36  1.56  1.56
assign (resid  73 and name HG1*) (resid  73 and name HG2*)  3.87  2.07  2.07
assign (resid  73 and name   HB) (resid  73 and name HD1*)  3.90  2.10  2.10
assign (resid  73 and name   HB) (resid  73 and name   HA)  3.40  1.60  1.60
assign (resid  73 and name   HB) (resid  73 and name HG2*)  3.90  2.10  2.10
assign (resid  73 and name   HA) (resid  73 and name   HN)  3.40  1.60  1.60
assign (resid  73 and name   HA) (resid  73 and name HD1*)  3.90  2.10  2.10
assign (resid  73 and name   HA) (resid  73 and name HG2*)  3.90  2.10  2.10
assign (resid  73 and name   HA) (resid  74 and name   HN)  3.40  1.60  1.60
assign (resid  73 and name HG2*) (resid  74 and name   HN)  3.90  2.10  2.10
assign (resid  73 and name HG2*) (resid  37 and name HD1*)  4.40  2.60  2.60
assign (resid  73 and name HG2*) (resid  73 and name HD1*)  4.40  2.60  2.60
assign (resid  73 and name HG2*) (resid  78 and name   HA)  3.90  2.10  2.10
assign (resid  73 and name HG2*) (resid  78 and name   HN)  3.90  2.10  2.10
assign (resid  73 and name HG2*) (resid  65 and name   HB)  3.90  2.10  2.10
assign (resid  73 and name HG2*) (resid  78 and name  HB*)  3.87  2.07  2.07
assign (resid  73 and name   HN) (resid  72 and name   HA)  3.40  1.60  1.60
assign (resid  73 and name   HN) (resid  73 and name   HB)  3.40  1.60  1.60
assign (resid  73 and name   HN) (resid  73 and name HD1*)  3.90  2.10  2.10
assign (resid  73 and name   HN) (resid  74 and name   HN)  3.40  1.60  1.60
assign (resid  73 and name   HN) (resid  73 and name HG2*)  3.90  2.10  2.10
assign (resid  74 and name   HA) (resid  36 and name   HA)  3.40  1.60  1.60
assign (resid  74 and name   HA) (resid  74 and name  HB*)  3.36  1.56  1.56
assign (resid  74 and name   HA) (resid  26 and name  HE1)  3.40  1.60  1.60
assign (resid  74 and name   HA) (resid  75 and name   HN)  3.40  1.60  1.60
assign (resid  74 and name  HB*) (resid  75 and name   HN)  3.36  1.56  1.56
assign (resid  74 and name   HN) (resid  73 and name HG1*)  3.90  2.10  2.10
assign (resid  74 and name   HN) (resid  77 and name  HG*)  3.90  2.10  2.10
assign (resid  74 and name   HN) (resid  77 and name  HB*)  3.90  2.10  2.10
assign (resid  74 and name   HN) (resid  75 and name   HN)  3.40  1.60  1.60
assign (resid  74 and name   HN) (resid  77 and name   HN)  3.40  1.60  1.60
assign (resid  74 and name   HN) (resid  76 and name   HN)  3.40  1.60  1.60
assign (resid  74 and name   HN) (resid  73 and name   HB)  3.40  1.60  1.60
assign (resid  74 and name   HN) (resid  74 and name  HB*)  3.36  1.56  1.56
assign (resid  75 and name   HA) (resid  75 and name   HN)  3.40  1.60  1.60
assign (resid  75 and name   HA) (resid  75 and name  HD*)  4.40  2.60  2.60
assign (resid  75 and name  HB*) (resid  75 and name   HN)  3.36  1.56  1.56
assign (resid  75 and name  HB*) (resid  75 and name  HD*)  4.90  3.10  3.10
assign (resid  75 and name   HN) (resid  76 and name   HN)  3.40  1.60  1.60
assign (resid  75 and name   HN) (resid  36 and name   HA)  3.40  1.60  1.60
assign (resid  75 and name   HN) (resid  75 and name  HE2)  3.40  1.60  1.60
assign (resid  76 and name  HB*) (resid  76 and name  HG*)  4.40  2.60  2.60
assign (resid  76 and name  HB*) (resid  76 and name   HA)  3.36  1.56  1.56
assign (resid  76 and name   HA) (resid  76 and name   HN)  3.40  1.60  1.60
assign (resid  76 and name   HA) (resid  76 and name  HG*)  3.90  2.10  2.10
assign (resid  76 and name   HA) (resid  79 and name  HD*)  4.60  2.80  2.80
assign (resid  76 and name  HG*) (resid  76 and name   HN)  3.90  2.10  2.10
assign (resid  76 and name   HN) (resid  77 and name   HN)  3.40  1.60  1.60
assign (resid  76 and name   HN) (resid  76 and name  HB*)  3.36  1.56  1.56
assign (resid  77 and name   HA) (resid  77 and name   HN)  3.40  1.60  1.60
assign (resid  77 and name   HN) (resid  77 and name  HG*)  3.36  1.56  1.56
assign (resid  77 and name   HN) (resid  78 and name   HN)  3.40  1.60  1.60
assign (resid  78 and name  HB*) (resid  78 and name   HN)  3.36  1.56  1.56
assign (resid  78 and name  HB*) (resid  78 and name  HD2)  3.90  2.10  2.10
assign (resid  78 and name   HN) (resid  78 and name   HA)  3.40  1.60  1.60
assign (resid  78 and name   HN) (resid  77 and name  HG*)  3.90  2.10  2.10
assign (resid  78 and name   HN) (resid  79 and name   HN)  3.40  1.60  1.60
assign (resid  78 and name   HN) (resid  73 and name HG1*)  3.90  2.10  2.10
assign (resid  78 and name   HN) (resid  76 and name   HN)  3.40  1.60  1.60
assign (resid  78 and name   HN) (resid  75 and name   HA)  3.40  1.60  1.60
assign (resid  78 and name   HN) (resid  77 and name   HA)  3.40  1.60  1.60
assign (resid  79 and name  HD*) (resid  82 and name  HG*)  5.10  3.30  3.30
assign (resid  79 and name  HD*) (resid  79 and name   HA)  3.80  2.00  2.00
assign (resid  79 and name  HD*) (resid  80 and name   HN)  4.60  2.80  2.80
assign (resid  79 and name  HD*) (resid  79 and name  HB*)  3.77  1.97  1.97
assign (resid  79 and name  HD*) (resid  79 and name   HG)  3.80  2.00  2.00
assign (resid  79 and name  HD*) (resid  79 and name   HN)  4.60  2.80  2.80
assign (resid  79 and name  HD*) (resid  75 and name  HE2)  4.60  2.80  2.80
assign (resid  79 and name  HD*) (resid  76 and name  HG*)  5.10  3.30  3.30
assign (resid  79 and name   HG) (resid  79 and name   HN)  3.40  1.60  1.60
assign (resid  79 and name  HD*) (resid  22 and name  HD1)  4.60  2.80  2.80
assign (resid  79 and name  HB*) (resid  79 and name   HG)  3.36  1.56  1.56
assign (resid  79 and name  HB*) (resid  79 and name   HA)  3.36  1.56  1.56
assign (resid  79 and name  HB*) (resid  79 and name   HN)  3.36  1.56  1.56
assign (resid  79 and name   HA) (resid  79 and name   HN)  3.40  1.60  1.60
assign (resid  79 and name   HA) (resid  79 and name   HG)  3.40  1.60  1.60
assign (resid  79 and name   HN) (resid  80 and name   HN)  3.40  1.60  1.60
assign (resid  79 and name   HN) (resid  76 and name   HA)  3.40  1.60  1.60
assign (resid  80 and name   HB) (resid  80 and name  HG*)  3.80  2.00  2.00
assign (resid  80 and name   HB) (resid  80 and name   HA)  3.40  1.60  1.60
assign (resid  80 and name   HB) (resid  77 and name   HA)  3.40  1.60  1.60
assign (resid  80 and name   HB) (resid  80 and name   HN)  3.40  1.60  1.60
assign (resid  80 and name   HB) (resid  81 and name   HN)  3.40  1.60  1.60
assign (resid  80 and name   HA) (resid  83 and name   HB)  3.40  1.60  1.60
assign (resid  80 and name   HA) (resid  83 and name  HG*)  3.80  2.00  2.00
assign (resid  80 and name   HA) (resid  84 and name   HN)  3.40  1.60  1.60
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assign (resid  80 and name   HA) (resid  80 and name  HG*)  3.80  2.00  2.00
assign (resid  80 and name   HA) (resid  80 and name   HN)  3.40  1.60  1.60
assign (resid  80 and name  HG*) (resid   7 and name  HB*)  5.10  3.30  3.30
assign (resid  80 and name  HG*) (resid  10 and name   HN)  4.60  2.80  2.80
assign (resid  80 and name  HG*) (resid  77 and name   HA)  4.60  2.80  2.80
assign (resid  80 and name  HG*) (resid  80 and name   HN)  3.80  2.00  2.00
assign (resid  80 and name  HG*) (resid   3 and name   HA)  4.60  2.80  2.80
assign (resid  80 and name  HG*) (resid   6 and name HE21)  4.60  2.80  2.80
assign (resid  80 and name   HN) (resid  79 and name  HB*)  3.90  2.10  2.10
assign (resid  80 and name   HN) (resid  77 and name   HA)  3.40  1.60  1.60
assign (resid  80 and name   HN) (resid  81 and name   HN)  3.40  1.60  1.60
assign (resid  80 and name   HN) (resid  79 and name   HA)  3.40  1.60  1.60
assign (resid  81 and name  HG*) (resid  81 and name   HA)  3.90  2.10  2.10
assign (resid  81 and name  HG*) (resid  81 and name  HB*)  4.36  2.56  2.56
assign (resid  81 and name  HE*) (resid  81 and name   HA)  3.90  2.10  2.10
assign (resid  81 and name  HE*) (resid  78 and name   HA)  3.90  2.10  2.10
assign (resid  81 and name  HE*) (resid  78 and name  HE1)  3.90  2.10  2.10
assign (resid  81 and name  HE*) (resid  80 and name  HG*)  5.10  3.30  3.30
assign (resid  81 and name  HE*) (resid  46 and name  HE*)  4.40  2.60  2.60
assign (resid  81 and name  HE*) (resid  82 and name  HB*)  4.40  2.60  2.60
assign (resid  81 and name  HE*) (resid  81 and name  HG*)  3.87  2.07  2.07
assign (resid  81 and name   HA) (resid  81 and name  HB*)  3.36  1.56  1.56
assign (resid  81 and name  HE*) (resid  73 and name HG2*)  4.40  2.60  2.60
assign (resid  81 and name  HE*) (resid  82 and name  HG*)  4.40  2.60  2.60
assign (resid  81 and name  HE*) (resid  64 and name  HG*)  4.40  2.60  2.60
assign (resid  81 and name   HA) (resid  84 and name   HN)  3.40  1.60  1.60
assign (resid  81 and name   HA) (resid  81 and name   HN)  3.40  1.60  1.60
assign (resid  81 and name  HB*) (resid  65 and name  HG*)  5.10  3.30  3.30
assign (resid  82 and name   HA) (resid  82 and name   HN)  3.40  1.60  1.60
assign (resid  82 and name   HA) (resid  81 and name  HG*)  3.90  2.10  2.10
assign (resid  82 and name   HA) (resid  82 and name  HG*)  3.36  1.56  1.56
assign (resid  82 and name   HN) (resid  81 and name  HB*)  3.90  2.10  2.10
assign (resid  82 and name   HN) (resid  82 and name  HG*)  3.90  2.10  2.10
assign (resid  82 and name   HN) (resid  83 and name   HN)  3.40  1.60  1.60
assign (resid  82 and name   HN) (resid  82 and name  HB*)  3.36  1.56  1.56
assign (resid  83 and name   HB) (resid  83 and name   HA)  3.40  1.60  1.60
assign (resid  83 and name   HB) (resid  83 and name  HG*)  3.80  2.00  2.00
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assign (resid  67 and name    N) (resid  67 and name   CA)
       (resid  67 and name    C) (resid  68 and name    N)  1.0  -120.0 100.0 2
assign (resid  68 and name    N) (resid  68 and name   CA)
       (resid  68 and name    C) (resid  69 and name    N)  1.0  -30.0  119.9 2
assign (resid  69 and name    N) (resid  69 and name   CA)
       (resid  69 and name    C) (resid  70 and name    N)  1.0  -30.0  110.0 2
assign (resid  70 and name    N) (resid  70 and name   CA)
       (resid  70 and name    C) (resid  71 and name    N)  1.0  -30.0  110.0 2
assign (resid  72 and name    N) (resid  72 and name   CA)
       (resid  72 and name    C) (resid  73 and name    N)  1.0  -120.0 100.0 2
assign (resid  73 and name    N) (resid  73 and name   CA)
       (resid  73 and name    C) (resid  74 and name    N)  1.0  -120.0 100.0 2
assign (resid  75 and name    N) (resid  75 and name   CA)
       (resid  75 and name    C) (resid  76 and name    N)  1.0  -30.0  110.0 2
assign (resid  80 and name    N) (resid  80 and name   CA)
       (resid  80 and name    C) (resid  81 and name    N)  1.0  -30.0  110.0 2
assign (resid  83 and name    N) (resid  83 and name   CA)
       (resid  83 and name    C) (resid  84 and name    N)  1.0  -30.0  110.0 2
assign (resid  84 and name    N) (resid  84 and name   CA)
       (resid  84 and name    C) (resid  85 and name    N)  1.0  -30.0  110.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           HT2      ALA   1  -9.377  -5.848 -13.960
    2   2H    ALA   1           HT1      ALA   1  -8.710  -7.069 -12.985
    3   3H    ALA   1           HT3      ALA   1  -9.913  -7.452 -14.118
    4    HA   ALA   1           HA       ALA   1 -11.585  -6.797 -12.800
    5   1HB   ALA   1           HB1      ALA   1  -9.959  -8.264 -11.423
    6   2HB   ALA   1           HB3      ALA   1  -9.515  -6.767 -10.603
    7   3HB   ALA   1           HB2      ALA   1 -11.179  -7.351 -10.535
    8    H    SER   2           HN       SER   2 -11.381  -5.337 -10.269
    9    HA   SER   2           HA       SER   2 -10.867  -2.595 -11.357
   10   1HB   SER   2           HB2      SER   2 -13.020  -3.629  -9.504
   11   2HB   SER   2           HB1      SER   2 -12.633  -1.914  -9.619
   12    HG   SER   2           HG       SER   2 -13.879  -3.606 -11.427
   13    H    MET   3           HN       MET   3 -11.414  -4.048  -8.142
   14    HA   MET   3           HA       MET   3  -8.741  -3.556  -7.199
   15   1HB   MET   3           HB2      MET   3 -10.069  -1.213  -7.397
   16   2HB   MET   3           HB1      MET   3 -10.627  -1.722  -5.803
   17   1HG   MET   3           HG2      MET   3  -7.733  -1.489  -6.679
   18   2HG   MET   3           HG1      MET   3  -8.578  -0.382  -5.597
   19   1HE   MET   3           HE3      MET   3  -9.775  -1.060  -3.539
   20   2HE   MET   3           HE2      MET   3 -10.443  -2.627  -3.989
   21   3HE   MET   3           HE1      MET   3  -9.451  -2.484  -2.540
   22    H    THR   4           HN       THR   4 -12.173  -3.916  -6.440
   23    HA   THR   4           HA       THR   4 -11.917  -4.845  -3.764
   24    HB   THR   4           HB       THR   4 -13.951  -5.343  -5.942
   25    HG1  THR   4           HG1      THR   4 -14.384  -4.180  -3.430
   26   1HG2  THR   4          HG21      THR   4 -13.518  -6.877  -3.500
   27   2HG2  THR   4          HG23      THR   4 -15.115  -6.130  -3.542
   28   3HG2  THR   4          HG22      THR   4 -14.608  -7.200  -4.848
   29    H    ASP   5           HN       ASP   5 -12.741  -7.013  -6.485
   30    HA   ASP   5           HA       ASP   5 -11.941  -9.407  -5.299
   31   1HB   ASP   5           HB2      ASP   5 -12.877  -8.753  -7.761
   32   2HB   ASP   5           HB1      ASP   5 -11.197  -9.116  -8.159
   33    H    GLN   6           HN       GLN   6  -9.965  -6.828  -6.522
   34    HA   GLN   6           HA       GLN   6  -7.520  -8.127  -7.011
   35   1HB   GLN   6           HB2      GLN   6  -8.326  -5.537  -6.972
   36   2HB   GLN   6           HB1      GLN   6  -7.373  -5.586  -5.489
   37   1HG   GLN   6           HG2      GLN   6  -5.859  -4.997  -7.261
   38   2HG   GLN   6           HG1      GLN   6  -5.522  -6.677  -6.842
   39   1HE2  GLN   6          HE22      GLN   6  -6.439  -7.919 -10.014
   40   2HE2  GLN   6          HE21      GLN   6  -5.843  -8.266  -8.462
   41    H    GLN   7           HN       GLN   7  -8.702  -6.811  -3.893
   42    HA   GLN   7           HA       GLN   7  -6.452  -7.829  -2.398
   43   1HB   GLN   7           HB2      GLN   7  -9.219  -7.055  -1.423
   44   2HB   GLN   7           HB1      GLN   7  -7.783  -7.248  -0.417
   45   1HG   GLN   7           HG2      GLN   7  -6.702  -5.377  -1.418
   46   2HG   GLN   7           HG1      GLN   7  -7.865  -5.321  -2.743
   47   1HE2  GLN   7          HE22      GLN   7 -10.487  -4.049  -0.464
   48   2HE2  GLN   7          HE21      GLN   7 -10.319  -5.322  -1.574
   49    H    ALA   8           HN       ALA   8  -9.290  -9.321  -3.643
   50    HA   ALA   8           HA       ALA   8  -9.602 -11.376  -1.645
   51   1HB   ALA   8           HB3      ALA   8 -10.511 -11.004  -4.477
   52   2HB   ALA   8           HB2      ALA   8 -10.647 -12.600  -3.744
   53   3HB   ALA   8           HB1      ALA   8 -11.473 -11.223  -3.016
   54    H    GLU   9           HN       GLU   9  -8.172 -11.578  -4.932
   55    HA   GLU   9           HA       GLU   9  -7.029 -14.160  -4.552
   56   1HB   GLU   9           HB2      GLU   9  -5.549 -13.536  -6.471
   57   2HB   GLU   9           HB1      GLU   9  -7.254 -13.205  -6.782
   58   1HG   GLU   9           HG2      GLU   9  -6.874 -10.837  -6.063
   59   2HG   GLU   9           HG1      GLU   9  -5.152 -11.196  -5.922
   60    H    ALA  10           HN       ALA  10  -5.828 -10.927  -3.790
   61    HA   ALA  10           HA       ALA  10  -3.143 -11.823  -3.135
   62   1HB   ALA  10           HB2      ALA  10  -4.711  -9.295  -2.799
   63   2HB   ALA  10           HB1      ALA  10  -3.252  -9.511  -1.832
   64   3HB   ALA  10           HB3      ALA  10  -3.157  -9.551  -3.593
   65    H    ARG  11           HN       ARG  11  -6.183 -11.711  -1.444
   66    HA   ARG  11           HA       ARG  11  -5.001 -11.858   1.220
   67   1HB   ARG  11           HB2      ARG  11  -7.651 -11.607   0.082
   68   2HB   ARG  11           HB1      ARG  11  -7.632 -12.860   1.324
   69   1HG   ARG  11           HG2      ARG  11  -7.206 -11.374   3.004
   70   2HG   ARG  11           HG1      ARG  11  -6.152 -10.383   1.994
   71   1HD   ARG  11           HD2      ARG  11  -7.834  -8.970   1.484
   72   2HD   ARG  11           HD1      ARG  11  -8.903 -10.304   1.052
   73    HE   ARG  11           HE       ARG  11  -9.032 -10.456   3.738
   74   1HH1  ARG  11          HH11      ARG  11  -7.922  -7.669   3.935
   75   2HH1  ARG  11          HH12      ARG  11  -9.364  -6.711   3.958
   76   1HH2  ARG  11          HH21      ARG  11 -11.392  -9.257   2.763
   77   2HH2  ARG  11          HH22      ARG  11 -11.329  -7.609   3.294
   78    H    ALA  12           HN       ALA  12  -6.310 -14.170  -1.133
   79    HA   ALA  12           HA       ALA  12  -6.457 -16.491   0.402
   80   1HB   ALA  12           HB1      ALA  12  -6.960 -16.332  -2.051
   81   2HB   ALA  12           HB3      ALA  12  -5.225 -16.329  -2.365
   82   3HB   ALA  12           HB2      ALA  12  -5.985 -17.740  -1.633
   83    H    PHE  13           HN       PHE  13  -3.540 -15.072  -1.082
   84    HA   PHE  13           HA       PHE  13  -1.793 -17.106   0.051
   85   1HB   PHE  13           HB2      PHE  13  -1.286 -15.817  -2.051
   86   2HB   PHE  13           HB1      PHE  13  -1.047 -14.382  -1.053
   87    HD1  PHE  13           HD1      PHE  13  -0.125 -17.945  -0.384
   88    HD2  PHE  13           HD2      PHE  13   1.269 -13.948  -1.115
   89    HE1  PHE  13           HE1      PHE  13   2.198 -18.667   0.098
   90    HE2  PHE  13           HE2      PHE  13   3.593 -14.671  -0.634
   91    HZ   PHE  13           HZ       PHE  13   4.058 -17.031  -0.028
   92    H    LEU  14           HN       LEU  14  -2.994 -13.966   1.059
   93    HA   LEU  14           HA       LEU  14  -1.044 -13.824   3.272
   94   1HB   LEU  14           HB2      LEU  14  -3.354 -12.015   2.494
   95   2HB   LEU  14           HB1      LEU  14  -2.239 -11.701   3.825
   96    HG   LEU  14           HG       LEU  14  -1.270 -12.166   1.000
   97   1HD1  LEU  14          HD13      LEU  14  -2.468  -9.747   2.250
   98   2HD1  LEU  14          HD12      LEU  14  -0.985  -9.500   1.326
   99   3HD1  LEU  14          HD11      LEU  14  -2.397 -10.219   0.551
  100   1HD2  LEU  14          HD21      LEU  14  -0.077 -11.657   3.603
  101   2HD2  LEU  14          HD23      LEU  14   0.706 -12.122   2.093
  102   3HD2  LEU  14          HD22      LEU  14   0.394 -10.421   2.437
  103    H    SER  15           HN       SER  15  -1.829 -15.858   4.277
  104    HA   SER  15           HA       SER  15  -4.416 -16.438   5.126
  105   1HB   SER  15           HB2      SER  15  -2.521 -17.943   5.546
  106   2HB   SER  15           HB1      SER  15  -1.849 -16.800   6.705
  107    HG   SER  15           HG       SER  15  -3.641 -18.701   7.123
  108    H    GLU  16           HN       GLU  16  -5.481 -16.055   7.236
  109    HA   GLU  16           HA       GLU  16  -5.761 -13.348   7.901
  110   1HB   GLU  16           HB2      GLU  16  -6.823 -15.783   8.825
  111   2HB   GLU  16           HB1      GLU  16  -6.155 -14.992  10.253
  112   1HG   GLU  16           HG2      GLU  16  -7.381 -12.918   9.657
  113   2HG   GLU  16           HG1      GLU  16  -8.091 -13.753   8.276
  114    H    GLU  17           HN       GLU  17  -3.310 -15.610   8.921
  115    HA   GLU  17           HA       GLU  17  -2.385 -13.933  11.140
  116   1HB   GLU  17           HB2      GLU  17  -0.778 -16.130   9.845
  117   2HB   GLU  17           HB1      GLU  17  -0.777 -15.610  11.531
  118   1HG   GLU  17           HG2      GLU  17  -3.306 -16.336  11.459
  119   2HG   GLU  17           HG1      GLU  17  -2.787 -17.299  10.074
  120    H    MET  18           HN       MET  18  -1.497 -14.515   7.768
  121    HA   MET  18           HA       MET  18   0.995 -13.124   7.784
  122   1HB   MET  18           HB2      MET  18  -0.939 -14.057   5.754
  123   2HB   MET  18           HB1      MET  18   0.043 -12.677   5.260
  124   1HG   MET  18           HG2      MET  18   1.486 -14.875   6.640
  125   2HG   MET  18           HG1      MET  18   0.885 -15.237   5.021
  126   1HE   MET  18           HE1      MET  18   2.361 -15.484   3.641
  127   2HE   MET  18           HE3      MET  18   2.132 -14.021   2.675
  128   3HE   MET  18           HE2      MET  18   3.750 -14.509   3.172
  129    H    ILE  19           HN       ILE  19  -2.309 -11.982   7.752
  130    HA   ILE  19           HA       ILE  19  -1.508  -9.249   6.986
  131    HB   ILE  19           HB       ILE  19  -4.201 -10.171   8.011
  132   1HG1  ILE  19          HG12      ILE  19  -3.788  -9.892   5.097
  133   2HG1  ILE  19          HG11      ILE  19  -2.963 -11.268   5.832
  134   1HG2  ILE  19          HG21      ILE  19  -3.077  -7.709   6.840
  135   2HG2  ILE  19          HG23      ILE  19  -4.589  -8.237   6.104
  136   3HG2  ILE  19          HG22      ILE  19  -4.514  -7.926   7.839
  137   1HD1  ILE  19          HD12      ILE  19  -5.306 -11.583   7.045
  138   2HD1  ILE  19          HD11      ILE  19  -5.892 -10.698   5.636
  139   3HD1  ILE  19          HD13      ILE  19  -5.031 -12.222   5.425
  140    H    ALA  20           HN       ALA  20  -2.705 -10.956   9.864
  141    HA   ALA  20           HA       ALA  20  -2.811  -8.674  11.574
  142   1HB   ALA  20           HB2      ALA  20  -3.700 -11.094  11.933
  143   2HB   ALA  20           HB1      ALA  20  -2.084 -11.422  12.558
  144   3HB   ALA  20           HB3      ALA  20  -3.098 -10.203  13.331
  145    H    GLU  21           HN       GLU  21  -0.141 -10.467  10.316
  146    HA   GLU  21           HA       GLU  21   1.719  -9.649  12.437
  147   1HB   GLU  21           HB2      GLU  21   1.939 -11.168   9.855
  148   2HB   GLU  21           HB1      GLU  21   3.399 -10.517  10.602
  149   1HG   GLU  21           HG2      GLU  21   1.551 -11.936  12.435
  150   2HG   GLU  21           HG1      GLU  21   2.357 -12.945  11.234
  151    H    PHE  22           HN       PHE  22   0.963  -8.692   9.099
  152    HA   PHE  22           HA       PHE  22   3.070  -6.710   8.945
  153   1HB   PHE  22           HB2      PHE  22   1.099  -7.801   7.199
  154   2HB   PHE  22           HB1      PHE  22   0.881  -6.051   7.214
  155    HD1  PHE  22           HD2      PHE  22   3.133  -4.646   7.103
  156    HD2  PHE  22           HD1      PHE  22   2.706  -8.708   5.774
  157    HE1  PHE  22           HE2      PHE  22   5.131  -4.383   5.658
  158    HE2  PHE  22           HE1      PHE  22   4.704  -8.445   4.329
  159    HZ   PHE  22           HZ       PHE  22   5.916  -6.283   4.270
  160    H    LYS  23           HN       LYS  23  -0.180  -6.747  10.208
  161    HA   LYS  23           HA       LYS  23  -0.946  -4.072  10.150
  162   1HB   LYS  23           HB2      LYS  23  -1.600  -6.378  11.708
  163   2HB   LYS  23           HB1      LYS  23  -1.414  -5.010  12.806
  164   1HG   LYS  23           HG2      LYS  23  -3.138  -3.805  11.816
  165   2HG   LYS  23           HG1      LYS  23  -2.966  -4.634  10.269
  166   1HD   LYS  23           HD2      LYS  23  -4.246  -6.426  10.927
  167   2HD   LYS  23           HD1      LYS  23  -3.739  -6.301  12.612
  168   1HE   LYS  23           HE2      LYS  23  -5.090  -4.099  12.655
  169   2HE   LYS  23           HE1      LYS  23  -5.824  -4.676  11.159
  170   1HZ   LYS  23           HZ2      LYS  23  -5.974  -6.844  12.738
  171   2HZ   LYS  23           HZ1      LYS  23  -6.198  -5.593  13.868
  172   3HZ   LYS  23           HZ3      LYS  23  -7.229  -5.719  12.527
  173    H    ALA  24           HN       ALA  24   1.363  -5.600  12.391
  174    HA   ALA  24           HA       ALA  24   1.832  -3.261  13.976
  175   1HB   ALA  24           HB3      ALA  24   3.124  -5.892  13.580
  176   2HB   ALA  24           HB2      ALA  24   4.195  -4.608  14.141
  177   3HB   ALA  24           HB1      ALA  24   2.760  -5.030  15.075
  178    H    ALA  25           HN       ALA  25   3.628  -4.602  11.188
  179    HA   ALA  25           HA       ALA  25   5.496  -2.395  11.102
  180   1HB   ALA  25           HB2      ALA  25   4.761  -4.600   9.179
  181   2HB   ALA  25           HB1      ALA  25   5.895  -3.330   8.723
  182   3HB   ALA  25           HB3      ALA  25   6.259  -4.389  10.087
  183    H    PHE  26           HN       PHE  26   2.237  -2.509  10.396
  184    HA   PHE  26           HA       PHE  26   2.226  -0.852   8.002
  185   1HB   PHE  26           HB2      PHE  26   0.287  -2.226   8.429
  186   2HB   PHE  26           HB1      PHE  26   0.082  -1.527  10.036
  187    HD1  PHE  26           HD1      PHE  26   0.809   0.065   6.720
  188    HD2  PHE  26           HD2      PHE  26  -1.909  -0.296  10.027
  189    HE1  PHE  26           HE1      PHE  26  -0.596   1.868   5.761
  190    HE2  PHE  26           HE2      PHE  26  -3.315   1.507   9.067
  191    HZ   PHE  26           HZ       PHE  26  -2.659   2.589   6.933
  192    H    ASP  27           HN       ASP  27   2.740  -0.266  11.333
  193    HA   ASP  27           HA       ASP  27   1.728   2.468  11.367
  194   1HB   ASP  27           HB2      ASP  27   1.835   1.320  13.475
  195   2HB   ASP  27           HB1      ASP  27   3.533   0.906  13.230
  196    H    MET  28           HN       MET  28   4.582   0.944  10.215
  197    HA   MET  28           HA       MET  28   6.477   3.048  10.604
  198   1HB   MET  28           HB2      MET  28   6.462   0.527   9.378
  199   2HB   MET  28           HB1      MET  28   6.843   1.657   8.079
  200   1HG   MET  28           HG2      MET  28   8.586   2.680   9.588
  201   2HG   MET  28           HG1      MET  28   8.286   1.368  10.727
  202   1HE   MET  28           HE3      MET  28  10.357   2.765   8.785
  203   2HE   MET  28           HE2      MET  28  11.551   1.513   9.115
  204   3HE   MET  28           HE1      MET  28  11.004   1.785   7.463
  205    H    PHE  29           HN       PHE  29   4.274   2.356   7.875
  206    HA   PHE  29           HA       PHE  29   5.084   4.519   6.222
  207   1HB   PHE  29           HB2      PHE  29   2.672   2.800   6.457
  208   2HB   PHE  29           HB1      PHE  29   2.454   4.332   5.612
  209    HD1  PHE  29           HD2      PHE  29   3.867   4.876   3.616
  210    HD2  PHE  29           HD1      PHE  29   3.962   1.017   5.503
  211    HE1  PHE  29           HE2      PHE  29   4.964   3.918   1.607
  212    HE2  PHE  29           HE1      PHE  29   5.059   0.062   3.495
  213    HZ   PHE  29           HZ       PHE  29   5.559   1.513   1.547
  214    H    ASP  30           HN       ASP  30   2.201   4.420   8.358
  215    HA   ASP  30           HA       ASP  30   1.783   7.267   8.179
  216   1HB   ASP  30           HB2      ASP  30   0.171   6.910  10.023
  217   2HB   ASP  30           HB1      ASP  30  -0.039   5.716   8.741
  218    H    ALA  31           HN       ALA  31   1.479   8.237  10.701
  219    HA   ALA  31           HA       ALA  31   4.249   8.650  11.527
  220   1HB   ALA  31           HB1      ALA  31   1.645   9.903  12.015
  221   2HB   ALA  31           HB3      ALA  31   2.653   9.831  13.460
  222   3HB   ALA  31           HB2      ALA  31   3.253  10.627  12.005
  223    H    ASP  32           HN       ASP  32   1.691   8.290  13.913
  224    HA   ASP  32           HA       ASP  32   3.312   6.119  15.170
  225   1HB   ASP  32           HB2      ASP  32   2.482   8.498  16.263
  226   2HB   ASP  32           HB1      ASP  32   1.211   7.396  16.794
  227    H    GLY  33           HN       GLY  33   0.590   6.511  13.325
  228   1HA   GLY  33           HA2      GLY  33  -0.455   4.115  13.079
  229   2HA   GLY  33           HA1      GLY  33  -0.943   4.395  14.751
  230    H    GLY  34           HN       GLY  34  -0.871   6.746  12.075
  231   1HA   GLY  34           HA2      GLY  34  -3.471   7.777  12.741
  232   2HA   GLY  34           HA1      GLY  34  -2.593   8.118  11.248
  233    H    GLY  35           HN       GLY  35  -2.464   5.003  11.009
  234   1HA   GLY  35           HA2      GLY  35  -3.747   3.313   9.997
  235   2HA   GLY  35           HA1      GLY  35  -5.192   4.171  10.535
  236    H    ASP  36           HN       ASP  36  -2.537   5.145   8.339
  237    HA   ASP  36           HA       ASP  36  -4.126   4.950   5.958
  238   1HB   ASP  36           HB2      ASP  36  -4.283   7.503   5.623
  239   2HB   ASP  36           HB1      ASP  36  -5.451   6.759   6.716
  240    H    ILE  37           HN       ILE  37  -2.974   5.778   4.087
  241    HA   ILE  37           HA       ILE  37  -0.078   6.265   4.648
  242    HB   ILE  37           HB       ILE  37  -1.120   5.134   2.057
  243   1HG1  ILE  37          HG12      ILE  37  -0.230   3.463   4.419
  244   2HG1  ILE  37          HG11      ILE  37  -1.930   3.796   4.090
  245   1HG2  ILE  37          HG21      ILE  37   1.448   5.692   3.315
  246   2HG2  ILE  37          HG23      ILE  37   1.328   4.007   2.813
  247   3HG2  ILE  37          HG22      ILE  37   1.094   5.296   1.633
  248   1HD1  ILE  37          HD11      ILE  37  -1.331   2.962   1.669
  249   2HD1  ILE  37          HD13      ILE  37   0.030   2.187   2.480
  250   3HD1  ILE  37          HD12      ILE  37  -1.622   1.784   2.948
  251    H    SER  38           HN       SER  38  -2.924   7.491   3.265
  252    HA   SER  38           HA       SER  38  -2.851   8.972   1.167
  253   1HB   SER  38           HB2      SER  38  -2.903  11.061   3.119
  254   2HB   SER  38           HB1      SER  38  -4.258  10.295   2.293
  255    HG   SER  38           HG       SER  38  -2.926   9.302   4.600
  256    H    THR  39           HN       THR  39  -1.688  10.413  -0.007
  257    HA   THR  39           HA       THR  39   1.019  10.688  -0.002
  258    HB   THR  39           HB       THR  39   0.776  12.752  -1.233
  259    HG1  THR  39           HG1      THR  39  -1.637  12.879   0.205
  260   1HG2  THR  39          HG23      THR  39  -0.191  10.594  -2.183
  261   2HG2  THR  39          HG22      THR  39  -1.776  11.200  -1.701
  262   3HG2  THR  39          HG21      THR  39  -0.815  12.087  -2.885
  263    H    LYS  40           HN       LYS  40  -1.147  12.315   2.243
  264    HA   LYS  40           HA       LYS  40   0.467  14.369   3.224
  265   1HB   LYS  40           HB2      LYS  40  -1.889  13.550   3.993
  266   2HB   LYS  40           HB1      LYS  40  -0.987  12.546   5.129
  267   1HG   LYS  40           HG2      LYS  40   0.166  14.561   5.986
  268   2HG   LYS  40           HG1      LYS  40  -0.767  15.560   4.870
  269   1HD   LYS  40           HD2      LYS  40  -2.191  15.741   6.647
  270   2HD   LYS  40           HD1      LYS  40  -2.775  14.181   6.069
  271   1HE   LYS  40           HE2      LYS  40  -2.345  13.641   8.277
  272   2HE   LYS  40           HE1      LYS  40  -0.772  13.274   7.569
  273   1HZ   LYS  40           HZ2      LYS  40  -0.025  15.492   8.168
  274   2HZ   LYS  40           HZ1      LYS  40  -1.537  15.835   8.862
  275   3HZ   LYS  40           HZ3      LYS  40  -0.545  14.639   9.542
  276    H    GLU  41           HN       GLU  41   0.408  11.036   4.576
  277    HA   GLU  41           HA       GLU  41   3.036  11.551   5.831
  278   1HB   GLU  41           HB2      GLU  41   0.905   9.468   6.094
  279   2HB   GLU  41           HB1      GLU  41   2.552   9.044   6.564
  280   1HG   GLU  41           HG2      GLU  41   2.388  10.244   8.464
  281   2HG   GLU  41           HG1      GLU  41   1.854  11.669   7.572
  282    H    LEU  42           HN       LEU  42   1.659   9.652   3.206
  283    HA   LEU  42           HA       LEU  42   3.770   7.828   2.768
  284   1HB   LEU  42           HB2      LEU  42   1.800   7.462   1.523
  285   2HB   LEU  42           HB1      LEU  42   1.751   9.123   0.943
  286    HG   LEU  42           HG       LEU  42   2.521   7.256  -0.699
  287   1HD1  LEU  42          HD12      LEU  42   3.043   9.980  -0.484
  288   2HD1  LEU  42          HD11      LEU  42   4.629   9.273  -0.797
  289   3HD1  LEU  42          HD13      LEU  42   3.299   8.986  -1.918
  290   1HD2  LEU  42          HD21      LEU  42   4.380   6.816   1.336
  291   2HD2  LEU  42          HD23      LEU  42   4.474   6.185  -0.308
  292   3HD2  LEU  42          HD22      LEU  42   5.296   7.687   0.108
  293    H    GLY  43           HN       GLY  43   3.327  11.073   1.334
  294   1HA   GLY  43           HA2      GLY  43   5.590  11.180  -0.286
  295   2HA   GLY  43           HA1      GLY  43   4.937  12.592   0.543
  296    H    THR  44           HN       THR  44   5.494  11.067   3.177
  297    HA   THR  44           HA       THR  44   8.233  12.118   3.452
  298    HB   THR  44           HB       THR  44   7.849  12.137   5.737
  299    HG1  THR  44           HG1      THR  44   6.528  10.609   6.750
  300   1HG2  THR  44          HG23      THR  44   6.021  13.374   4.490
  301   2HG2  THR  44          HG22      THR  44   4.991  11.968   4.759
  302   3HG2  THR  44          HG21      THR  44   5.602  12.889   6.133
  303    H    VAL  45           HN       VAL  45   6.621   9.004   4.223
  304    HA   VAL  45           HA       VAL  45   8.816   7.474   4.912
  305    HB   VAL  45           HB       VAL  45   6.656   6.438   4.922
  306   1HG1  VAL  45          HG12      VAL  45   6.656   7.023   1.951
  307   2HG1  VAL  45          HG11      VAL  45   5.475   5.976   2.741
  308   3HG1  VAL  45          HG13      VAL  45   5.568   7.682   3.172
  309   1HG2  VAL  45          HG21      VAL  45   8.658   4.993   4.321
  310   2HG2  VAL  45          HG23      VAL  45   7.098   4.349   3.808
  311   3HG2  VAL  45          HG22      VAL  45   8.157   5.133   2.636
  312    H    MET  46           HN       MET  46   7.862   8.426   1.624
  313    HA   MET  46           HA       MET  46  10.156   6.962   0.480
  314   1HB   MET  46           HB2      MET  46   7.649   7.870  -0.494
  315   2HB   MET  46           HB1      MET  46   8.891   8.737  -1.396
  316   1HG   MET  46           HG2      MET  46   8.269   6.546  -2.441
  317   2HG   MET  46           HG1      MET  46   9.976   6.651  -2.012
  318   1HE   MET  46           HE1      MET  46   6.686   6.255  -0.349
  319   2HE   MET  46           HE3      MET  46   6.522   4.704  -1.186
  320   3HE   MET  46           HE2      MET  46   6.723   4.747   0.564
  321    H    ARG  47           HN       ARG  47   9.140  10.322   1.041
  322    HA   ARG  47           HA       ARG  47  11.668  11.317  -0.110
  323   1HB   ARG  47           HB2      ARG  47   9.324  12.455  -0.257
  324   2HB   ARG  47           HB1      ARG  47   9.676  13.014   1.379
  325   1HG   ARG  47           HG2      ARG  47  10.384  14.651  -0.370
  326   2HG   ARG  47           HG1      ARG  47  11.730  14.084   0.616
  327   1HD   ARG  47           HD2      ARG  47  12.088  14.140  -1.937
  328   2HD   ARG  47           HD1      ARG  47  12.531  12.655  -1.097
  329    HE   ARG  47           HE       ARG  47   9.900  12.936  -2.492
  330   1HH1  ARG  47          HH11      ARG  47   9.416  10.493  -1.809
  331   2HH1  ARG  47          HH12      ARG  47  10.482   9.403  -2.630
  332   1HH2  ARG  47          HH21      ARG  47  12.753  11.871  -3.517
  333   2HH2  ARG  47          HH22      ARG  47  12.373  10.182  -3.595
  334    H    MET  48           HN       MET  48  11.300   9.686   2.525
  335    HA   MET  48           HA       MET  48  12.047  11.394   4.697
  336   1HB   MET  48           HB2      MET  48  11.800   8.545   4.209
  337   2HB   MET  48           HB1      MET  48  13.250   8.889   5.153
  338   1HG   MET  48           HG2      MET  48  11.628  10.474   6.503
  339   2HG   MET  48           HG1      MET  48  10.378   9.428   5.831
  340   1HE   MET  48           HE3      MET  48   9.424   8.332   7.109
  341   2HE   MET  48           HE2      MET  48   9.952   6.769   7.727
  342   3HE   MET  48           HE1      MET  48   9.909   8.164   8.801
  343    H    LEU  49           HN       LEU  49  13.760  10.440   1.918
  344    HA   LEU  49           HA       LEU  49  16.430  10.317   2.951
  345   1HB   LEU  49           HB2      LEU  49  15.758  11.440   0.233
  346   2HB   LEU  49           HB1      LEU  49  17.149  10.465   0.708
  347    HG   LEU  49           HG       LEU  49  14.283   9.563   0.363
  348   1HD1  LEU  49          HD12      LEU  49  16.810   9.314  -1.108
  349   2HD1  LEU  49          HD11      LEU  49  16.005   7.768  -0.841
  350   3HD1  LEU  49          HD13      LEU  49  15.155   9.072  -1.669
  351   1HD2  LEU  49          HD22      LEU  49  15.290   8.665   2.489
  352   2HD2  LEU  49          HD21      LEU  49  14.923   7.415   1.300
  353   3HD2  LEU  49          HD23      LEU  49  16.585   7.962   1.520
  354    H    GLY  50           HN       GLY  50  14.300  12.980   2.112
  355   1HA   GLY  50           HA2      GLY  50  14.621  15.139   3.236
  356   2HA   GLY  50           HA1      GLY  50  16.361  14.849   3.188
  357    H    GLN  51           HN       GLN  51  13.675  14.931   0.796
  358    HA   GLN  51           HA       GLN  51  15.278  16.892  -0.783
  359   1HB   GLN  51           HB2      GLN  51  13.825  14.983  -2.458
  360   2HB   GLN  51           HB1      GLN  51  15.488  15.542  -2.602
  361   1HG   GLN  51           HG2      GLN  51  15.754  13.946  -0.441
  362   2HG   GLN  51           HG1      GLN  51  14.402  13.135  -1.232
  363   1HE2  GLN  51          HE22      GLN  51  18.121  12.775  -2.779
  364   2HE2  GLN  51          HE21      GLN  51  17.832  13.595  -1.322
  365    H    ASN  52           HN       ASN  52  13.858  18.455  -1.787
  366    HA   ASN  52           HA       ASN  52  11.179  18.531  -0.806
  367   1HB   ASN  52           HB2      ASN  52  12.257  19.723  -3.385
  368   2HB   ASN  52           HB1      ASN  52  10.757  20.193  -2.585
  369   1HD2  ASN  52          HD22      ASN  52  12.396  22.457  -0.457
  370   2HD2  ASN  52          HD21      ASN  52  10.952  21.949  -1.190
  371    HA   PRO  53           HA       PRO  53   9.816  15.347  -3.606
  372   1HB   PRO  53           HB2      PRO  53   7.415  14.930  -2.358
  373   2HB   PRO  53           HB1      PRO  53   8.958  14.343  -1.716
  374   1HG   PRO  53           HG2      PRO  53   7.252  16.532  -0.698
  375   2HG   PRO  53           HG1      PRO  53   8.542  15.637   0.121
  376   1HD   PRO  53           HD2      PRO  53   8.696  18.263  -1.097
  377   2HD   PRO  53           HD1      PRO  53   9.963  17.373  -0.221
  378    H    THR  54           HN       THR  54   8.174  15.164  -5.293
  379    HA   THR  54           HA       THR  54   7.015  17.781  -6.040
  380    HB   THR  54           HB       THR  54   6.854  15.263  -7.687
  381    HG1  THR  54           HG1      THR  54   9.035  17.065  -7.489
  382   1HG2  THR  54          HG23      THR  54   6.958  18.233  -8.246
  383   2HG2  THR  54          HG22      THR  54   7.131  17.014  -9.509
  384   3HG2  THR  54          HG21      THR  54   5.633  17.120  -8.582
  385    H    LYS  55           HN       LYS  55   4.764  17.987  -6.604
  386    HA   LYS  55           HA       LYS  55   2.962  16.625  -4.837
  387   1HB   LYS  55           HB2      LYS  55   2.815  18.905  -6.334
  388   2HB   LYS  55           HB1      LYS  55   1.809  17.814  -7.288
  389   1HG   LYS  55           HG2      LYS  55   1.485  18.471  -4.348
  390   2HG   LYS  55           HG1      LYS  55   0.396  18.927  -5.659
  391   1HD   LYS  55           HD2      LYS  55  -0.096  16.562  -6.101
  392   2HD   LYS  55           HD1      LYS  55   1.025  16.079  -4.827
  393   1HE   LYS  55           HE2      LYS  55  -0.944  16.052  -3.621
  394   2HE   LYS  55           HE1      LYS  55  -0.483  17.736  -3.378
  395   1HZ   LYS  55           HZ1      LYS  55  -2.277  16.763  -5.534
  396   2HZ   LYS  55           HZ3      LYS  55  -2.801  17.481  -4.091
  397   3HZ   LYS  55           HZ2      LYS  55  -1.885  18.382  -5.203
  398    H    GLU  56           HN       GLU  56   4.072  15.994  -8.086
  399    HA   GLU  56           HA       GLU  56   1.997  13.934  -8.515
  400   1HB   GLU  56           HB2      GLU  56   3.352  13.602 -10.688
  401   2HB   GLU  56           HB1      GLU  56   2.496  15.133 -10.500
  402   1HG   GLU  56           HG2      GLU  56   4.487  16.294  -9.911
  403   2HG   GLU  56           HG1      GLU  56   5.374  14.793  -9.643
  404    H    GLU  57           HN       GLU  57   5.055  14.162  -7.083
  405    HA   GLU  57           HA       GLU  57   6.073  11.546  -7.812
  406   1HB   GLU  57           HB2      GLU  57   7.147  13.756  -6.579
  407   2HB   GLU  57           HB1      GLU  57   6.943  12.648  -5.221
  408   1HG   GLU  57           HG2      GLU  57   7.979  10.911  -6.966
  409   2HG   GLU  57           HG1      GLU  57   8.676  12.385  -7.638
  410    H    LEU  58           HN       LEU  58   4.141  12.826  -5.124
  411    HA   LEU  58           HA       LEU  58   4.040  10.146  -3.879
  412   1HB   LEU  58           HB2      LEU  58   2.589  12.668  -3.025
  413   2HB   LEU  58           HB1      LEU  58   2.879  11.224  -2.057
  414    HG   LEU  58           HG       LEU  58   4.556  12.671  -1.296
  415   1HD1  LEU  58          HD11      LEU  58   5.545  10.531  -2.055
  416   2HD1  LEU  58          HD13      LEU  58   5.839  11.238  -3.645
  417   3HD1  LEU  58          HD12      LEU  58   6.685  11.865  -2.231
  418   1HD2  LEU  58          HD22      LEU  58   3.989  14.189  -3.442
  419   2HD2  LEU  58          HD21      LEU  58   5.447  14.427  -2.480
  420   3HD2  LEU  58          HD23      LEU  58   5.523  13.512  -3.986
  421    H    ASP  59           HN       ASP  59   2.265  12.052  -6.109
  422    HA   ASP  59           HA       ASP  59  -0.286  10.661  -5.609
  423   1HB   ASP  59           HB2      ASP  59   0.071  13.122  -6.460
  424   2HB   ASP  59           HB1      ASP  59   0.271  12.352  -8.034
  425    H    ALA  60           HN       ALA  60   2.531  10.351  -7.610
  426    HA   ALA  60           HA       ALA  60   1.378   8.801  -9.736
  427   1HB   ALA  60           HB2      ALA  60   3.947   9.744  -9.038
  428   2HB   ALA  60           HB1      ALA  60   4.088   7.989  -9.131
  429   3HB   ALA  60           HB3      ALA  60   3.491   8.899 -10.517
  430    H    ILE  61           HN       ILE  61   2.413   8.032  -6.478
  431    HA   ILE  61           HA       ILE  61   2.226   5.126  -6.965
  432    HB   ILE  61           HB       ILE  61   2.339   6.151  -4.179
  433   1HG1  ILE  61          HG12      ILE  61   5.015   6.236  -5.096
  434   2HG1  ILE  61          HG11      ILE  61   4.091   7.262  -6.191
  435   1HG2  ILE  61          HG23      ILE  61   3.054   3.825  -5.683
  436   2HG2  ILE  61          HG22      ILE  61   4.495   4.450  -4.881
  437   3HG2  ILE  61          HG21      ILE  61   3.062   4.052  -3.934
  438   1HD1  ILE  61          HD11      ILE  61   3.901   7.415  -3.175
  439   2HD1  ILE  61          HD13      ILE  61   4.939   8.459  -4.147
  440   3HD1  ILE  61          HD12      ILE  61   3.187   8.530  -4.340
  441    H    ILE  62           HN       ILE  62   0.230   7.745  -5.993
  442    HA   ILE  62           HA       ILE  62  -1.671   6.160  -4.459
  443    HB   ILE  62           HB       ILE  62  -1.732   8.948  -5.630
  444   1HG1  ILE  62          HG12      ILE  62  -0.304   8.377  -3.609
  445   2HG1  ILE  62          HG11      ILE  62  -1.506   9.639  -3.337
  446   1HG2  ILE  62          HG22      ILE  62  -4.025   7.841  -5.572
  447   2HG2  ILE  62          HG21      ILE  62  -3.836   7.736  -3.822
  448   3HG2  ILE  62          HG23      ILE  62  -3.870   9.311  -4.613
  449   1HD1  ILE  62          HD11      ILE  62  -2.750   7.119  -2.827
  450   2HD1  ILE  62          HD13      ILE  62  -1.216   7.153  -1.956
  451   3HD1  ILE  62          HD12      ILE  62  -2.415   8.418  -1.682
  452    H    GLU  63           HN       GLU  63  -1.363   7.242  -7.812
  453    HA   GLU  63           HA       GLU  63  -4.026   6.342  -8.570
  454   1HB   GLU  63           HB2      GLU  63  -2.219   8.005  -9.734
  455   2HB   GLU  63           HB1      GLU  63  -1.919   6.529 -10.651
  456   1HG   GLU  63           HG2      GLU  63  -3.810   6.829 -11.829
  457   2HG   GLU  63           HG1      GLU  63  -4.757   6.892 -10.342
  458    H    GLU  64           HN       GLU  64  -1.003   4.795  -8.047
  459    HA   GLU  64           HA       GLU  64  -1.417   2.574  -9.877
  460   1HB   GLU  64           HB2      GLU  64   0.840   2.979  -9.245
  461   2HB   GLU  64           HB1      GLU  64   0.431   3.041  -7.531
  462   1HG   GLU  64           HG2      GLU  64  -0.083   0.662  -7.516
  463   2HG   GLU  64           HG1      GLU  64   0.159   0.564  -9.261
  464    H    VAL  65           HN       VAL  65  -2.809   3.456  -6.903
  465    HA   VAL  65           HA       VAL  65  -4.105   0.806  -6.728
  466    HB   VAL  65           HB       VAL  65  -3.684   1.062  -4.112
  467   1HG1  VAL  65          HG11      VAL  65  -1.854  -0.099  -6.214
  468   2HG1  VAL  65          HG13      VAL  65  -1.554  -0.338  -4.493
  469   3HG1  VAL  65          HG12      VAL  65  -3.046  -0.935  -5.218
  470   1HG2  VAL  65          HG23      VAL  65  -2.126   3.151  -5.078
  471   2HG2  VAL  65          HG22      VAL  65  -1.971   2.406  -3.487
  472   3HG2  VAL  65          HG21      VAL  65  -0.955   1.858  -4.821
  473    H    ASP  66           HN       ASP  66  -3.802   3.953  -5.031
  474    HA   ASP  66           HA       ASP  66  -6.527   3.942  -4.104
  475   1HB   ASP  66           HB2      ASP  66  -4.989   5.373  -2.965
  476   2HB   ASP  66           HB1      ASP  66  -4.477   6.133  -4.471
  477    H    GLU  67           HN       GLU  67  -7.746   3.390  -6.040
  478    HA   GLU  67           HA       GLU  67  -7.712   5.391  -8.227
  479   1HB   GLU  67           HB2      GLU  67  -9.324   3.792  -9.317
  480   2HB   GLU  67           HB1      GLU  67  -7.753   3.080  -8.948
  481   1HG   GLU  67           HG2      GLU  67  -8.591   1.845  -7.140
  482   2HG   GLU  67           HG1      GLU  67  -9.998   2.892  -6.954
  483    H    ASP  68           HN       ASP  68  -9.650   4.385  -5.502
  484    HA   ASP  68           HA       ASP  68 -12.202   5.281  -6.084
  485   1HB   ASP  68           HB2      ASP  68 -11.235   4.437  -3.837
  486   2HB   ASP  68           HB1      ASP  68 -10.842   6.129  -3.526
  487    H    GLY  69           HN       GLY  69  -9.558   7.377  -4.877
  488   1HA   GLY  69           HA2      GLY  69  -9.388   9.509  -6.363
  489   2HA   GLY  69           HA1      GLY  69 -11.081   9.723  -5.915
  490    H    SER  70           HN       SER  70 -10.598   8.615  -3.196
  491    HA   SER  70           HA       SER  70 -10.271  10.945  -1.710
  492   1HB   SER  70           HB2      SER  70  -9.664   8.065  -1.064
  493   2HB   SER  70           HB1      SER  70  -9.379   9.333   0.125
  494    HG   SER  70           HG       SER  70 -11.447   9.411   0.447
  495    H    GLY  71           HN       GLY  71  -7.763   8.835  -3.025
  496   1HA   GLY  71           HA2      GLY  71  -5.517   9.456  -3.499
  497   2HA   GLY  71           HA1      GLY  71  -5.786  10.976  -2.643
  498    H    THR  72           HN       THR  72  -6.445   7.737  -1.375
  499    HA   THR  72           HA       THR  72  -4.027   7.766   0.290
  500    HB   THR  72           HB       THR  72  -4.920   8.539   2.212
  501    HG1  THR  72           HG1      THR  72  -6.044   7.052   3.124
  502   1HG2  THR  72          HG21      THR  72  -6.073  10.099   0.698
  503   2HG2  THR  72          HG23      THR  72  -7.428   8.977   0.577
  504   3HG2  THR  72          HG22      THR  72  -7.058   9.751   2.119
  505    H    ILE  73           HN       ILE  73  -3.859   5.742   1.558
  506    HA   ILE  73           HA       ILE  73  -5.777   3.632   0.749
  507    HB   ILE  73           HB       ILE  73  -2.779   3.539   0.303
  508   1HG1  ILE  73          HG12      ILE  73  -4.530   2.666  -1.853
  509   2HG1  ILE  73          HG11      ILE  73  -4.904   4.316  -1.354
  510   1HG2  ILE  73          HG23      ILE  73  -4.870   1.350   0.252
  511   2HG2  ILE  73          HG22      ILE  73  -3.295   1.194  -0.526
  512   3HG2  ILE  73          HG21      ILE  73  -3.399   1.409   1.221
  513   1HD1  ILE  73          HD13      ILE  73  -2.063   3.423  -1.847
  514   2HD1  ILE  73          HD12      ILE  73  -3.083   4.027  -3.153
  515   3HD1  ILE  73          HD11      ILE  73  -2.698   5.067  -1.783
  516    H    ASP  74           HN       ASP  74  -5.602   1.709   2.142
  517    HA   ASP  74           HA       ASP  74  -4.369   2.382   4.782
  518   1HB   ASP  74           HB2      ASP  74  -6.601   0.395   4.291
  519   2HB   ASP  74           HB1      ASP  74  -6.094   1.095   5.830
  520    H    PHE  75           HN       PHE  75  -4.105   0.056   6.023
  521    HA   PHE  75           HA       PHE  75  -1.949  -1.246   4.648
  522   1HB   PHE  75           HB2      PHE  75  -1.669  -2.493   6.593
  523   2HB   PHE  75           HB1      PHE  75  -2.544  -1.100   7.222
  524    HD1  PHE  75           HD2      PHE  75  -5.253  -1.375   6.858
  525    HD2  PHE  75           HD1      PHE  75  -2.411  -4.559   7.340
  526    HE1  PHE  75           HE2      PHE  75  -7.065  -2.880   7.632
  527    HE2  PHE  75           HE1      PHE  75  -4.224  -6.064   8.114
  528    HZ   PHE  75           HZ       PHE  75  -6.553  -5.222   8.262
  529    H    GLU  76           HN       GLU  76  -5.349  -1.645   4.491
  530    HA   GLU  76           HA       GLU  76  -5.425  -4.441   3.772
  531   1HB   GLU  76           HB2      GLU  76  -7.332  -2.651   4.432
  532   2HB   GLU  76           HB1      GLU  76  -7.484  -2.594   2.677
  533   1HG   GLU  76           HG2      GLU  76  -8.895  -4.369   3.109
  534   2HG   GLU  76           HG1      GLU  76  -7.373  -5.248   2.953
  535    H    GLU  77           HN       GLU  77  -6.160  -1.663   1.637
  536    HA   GLU  77           HA       GLU  77  -5.689  -3.132  -0.767
  537   1HB   GLU  77           HB2      GLU  77  -6.436  -0.457  -0.033
  538   2HB   GLU  77           HB1      GLU  77  -5.173  -0.383  -1.263
  539   1HG   GLU  77           HG2      GLU  77  -6.479  -2.002  -2.644
  540   2HG   GLU  77           HG1      GLU  77  -7.770  -1.937  -1.442
  541    H    PHE  78           HN       PHE  78  -3.513  -1.558   1.433
  542    HA   PHE  78           HA       PHE  78  -1.339  -1.139  -0.411
  543   1HB   PHE  78           HB2      PHE  78  -1.282   0.030   1.689
  544   2HB   PHE  78           HB1      PHE  78  -1.428  -1.474   2.597
  545    HD1  PHE  78           HD2      PHE  78   0.771   0.097  -0.011
  546    HD2  PHE  78           HD1      PHE  78   0.513  -2.447   3.440
  547    HE1  PHE  78           HE2      PHE  78   3.240  -0.144  -0.004
  548    HE2  PHE  78           HE1      PHE  78   2.981  -2.688   3.447
  549    HZ   PHE  78           HZ       PHE  78   4.345  -1.537   1.724
  550    H    LEU  79           HN       LEU  79  -2.555  -3.945   1.257
  551    HA   LEU  79           HA       LEU  79  -0.155  -5.526   1.171
  552   1HB   LEU  79           HB2      LEU  79  -3.081  -6.316   1.220
  553   2HB   LEU  79           HB1      LEU  79  -1.753  -7.465   1.376
  554    HG   LEU  79           HG       LEU  79  -1.755  -5.068   3.164
  555   1HD1  LEU  79          HD12      LEU  79  -3.718  -7.328   3.236
  556   2HD1  LEU  79          HD11      LEU  79  -3.072  -6.730   4.766
  557   3HD1  LEU  79          HD13      LEU  79  -3.940  -5.637   3.687
  558   1HD2  LEU  79          HD22      LEU  79  -0.126  -7.240   2.875
  559   2HD2  LEU  79          HD21      LEU  79  -0.287  -6.329   4.377
  560   3HD2  LEU  79          HD23      LEU  79  -1.215  -7.811   4.140
  561    H    VAL  80           HN       VAL  80  -3.033  -5.572  -0.966
  562    HA   VAL  80           HA       VAL  80  -2.147  -7.396  -2.875
  563    HB   VAL  80           HB       VAL  80  -4.359  -6.501  -3.071
  564   1HG1  VAL  80          HG11      VAL  80  -2.917  -3.852  -3.215
  565   2HG1  VAL  80          HG13      VAL  80  -4.577  -4.027  -3.786
  566   3HG1  VAL  80          HG12      VAL  80  -4.187  -4.350  -2.097
  567   1HG2  VAL  80          HG21      VAL  80  -2.857  -6.903  -5.213
  568   2HG2  VAL  80          HG23      VAL  80  -4.463  -6.191  -5.378
  569   3HG2  VAL  80          HG22      VAL  80  -3.033  -5.158  -5.406
  570    H    MET  81           HN       MET  81  -0.981  -4.150  -2.311
  571    HA   MET  81           HA       MET  81   0.245  -3.647  -4.829
  572   1HB   MET  81           HB2      MET  81  -0.007  -2.112  -2.727
  573   2HB   MET  81           HB1      MET  81   1.536  -2.817  -2.240
  574   1HG   MET  81           HG2      MET  81   2.699  -1.781  -3.925
  575   2HG   MET  81           HG1      MET  81   1.342  -1.862  -5.051
  576   1HE   MET  81           HE2      MET  81   2.004  -0.737  -1.528
  577   2HE   MET  81           HE1      MET  81   3.171   0.336  -2.297
  578   3HE   MET  81           HE3      MET  81   1.742   1.005  -1.498
  579    H    MET  82           HN       MET  82   1.585  -5.218  -1.903
  580    HA   MET  82           HA       MET  82   4.056  -5.902  -3.321
  581   1HB   MET  82           HB2      MET  82   4.559  -7.170  -1.197
  582   2HB   MET  82           HB1      MET  82   4.232  -5.452  -0.956
  583   1HG   MET  82           HG2      MET  82   2.119  -5.846  -0.039
  584   2HG   MET  82           HG1      MET  82   1.974  -7.431  -0.800
  585   1HE   MET  82           HE2      MET  82   4.464  -5.442   0.925
  586   2HE   MET  82           HE1      MET  82   4.676  -6.100   2.546
  587   3HE   MET  82           HE3      MET  82   5.586  -6.775   1.186
  588    H    VAL  83           HN       VAL  83   0.942  -7.294  -2.967
  589    HA   VAL  83           HA       VAL  83   1.880 -10.051  -3.422
  590    HB   VAL  83           HB       VAL  83  -0.959  -8.995  -3.492
  591   1HG1  VAL  83          HG13      VAL  83   0.352 -11.656  -3.583
  592   2HG1  VAL  83          HG12      VAL  83  -1.064 -11.531  -2.540
  593   3HG1  VAL  83          HG11      VAL  83  -1.195 -11.140  -4.255
  594   1HG2  VAL  83          HG21      VAL  83   0.837  -9.015  -1.310
  595   2HG2  VAL  83          HG23      VAL  83  -0.910  -8.783  -1.247
  596   3HG2  VAL  83          HG22      VAL  83  -0.228 -10.400  -1.072
  597    H    ARG  84           HN       ARG  84   2.095  -7.632  -5.395
  598    HA   ARG  84           HA       ARG  84   0.560  -8.695  -7.684
  599   1HB   ARG  84           HB2      ARG  84   1.388  -6.147  -6.975
  600   2HB   ARG  84           HB1      ARG  84   2.519  -6.590  -8.255
  601   1HG   ARG  84           HG2      ARG  84   0.799  -6.916  -9.832
  602   2HG   ARG  84           HG1      ARG  84  -0.440  -7.057  -8.584
  603   1HD   ARG  84           HD2      ARG  84   0.522  -4.555  -8.069
  604   2HD   ARG  84           HD1      ARG  84   0.718  -4.636  -9.820
  605    HE   ARG  84           HE       ARG  84  -1.896  -5.575  -9.099
  606   1HH1  ARG  84          HH11      ARG  84  -0.557  -3.295 -10.952
  607   2HH1  ARG  84          HH12      ARG  84  -1.607  -1.987 -10.519
  608   1HH2  ARG  84          HH21      ARG  84  -3.009  -3.653  -7.822
  609   2HH2  ARG  84          HH22      ARG  84  -2.994  -2.190  -8.749
  610    H    GLN  85           HN       GLN  85   3.953  -7.589  -7.555
  611    HA   GLN  85           HA       GLN  85   4.682  -9.795  -9.378
  612   1HB   GLN  85           HB2      GLN  85   5.577  -7.539  -9.815
  613   2HB   GLN  85           HB1      GLN  85   6.346  -7.533  -8.227
  614   1HG   GLN  85           HG2      GLN  85   7.322  -9.864  -9.184
  615   2HG   GLN  85           HG1      GLN  85   7.123  -8.985 -10.701
  616   1HE2  GLN  85          HE22      GLN  85   9.312  -6.265  -9.326
  617   2HE2  GLN  85          HE21      GLN  85   7.693  -6.340  -9.828
  618    H    MET  86           HN       MET  86   4.387 -11.550  -7.837
  619    HA   MET  86           HA       MET  86   6.095 -11.577  -5.438
  620   1HB   MET  86           HB2      MET  86   4.104 -13.502  -6.641
  621   2HB   MET  86           HB1      MET  86   5.143 -13.978  -5.297
  622   1HG   MET  86           HG2      MET  86   3.277 -11.587  -5.300
  623   2HG   MET  86           HG1      MET  86   2.961 -13.123  -4.496
  624   1HE   MET  86           HE3      MET  86   2.446 -11.808  -2.488
  625   2HE   MET  86           HE2      MET  86   3.303 -13.257  -1.968
  626   3HE   MET  86           HE1      MET  86   3.661 -11.709  -1.206
  627    H    LYS  87           HN       LYS  87   8.142 -12.380  -5.438
  628    HA   LYS  87           HA       LYS  87   9.490 -13.224  -7.777
  629   1HB   LYS  87           HB2      LYS  87  10.076 -13.034  -4.940
  630   2HB   LYS  87           HB1      LYS  87  10.800 -14.486  -5.632
  631   1HG   LYS  87           HG2      LYS  87  11.796 -13.101  -7.440
  632   2HG   LYS  87           HG1      LYS  87  11.123 -11.658  -6.681
  633   1HD   LYS  87           HD2      LYS  87  12.950 -13.569  -5.211
  634   2HD   LYS  87           HD1      LYS  87  13.554 -12.172  -6.103
  635   1HE   LYS  87           HE2      LYS  87  11.619 -10.961  -4.667
  636   2HE   LYS  87           HE1      LYS  87  12.014 -12.275  -3.559
  637   1HZ   LYS  87           HZ1      LYS  87  13.972 -10.383  -4.745
  638   2HZ   LYS  87           HZ3      LYS  87  13.375 -10.310  -3.159
  639   3HZ   LYS  87           HZ2      LYS  87  14.328 -11.629  -3.648
  640    H    GLU  88           HN       GLU  88   7.382 -14.978  -5.659
  641    HA   GLU  88           HA       GLU  88   8.197 -17.626  -5.890
  642   1HB   GLU  88           HB2      GLU  88   6.005 -16.555  -4.878
  643   2HB   GLU  88           HB1      GLU  88   5.320 -16.972  -6.449
  644   1HG   GLU  88           HG2      GLU  88   5.899 -19.303  -6.159
  645   2HG   GLU  88           HG1      GLU  88   6.803 -18.942  -4.687
  646    H    ASP  89           HN       ASP  89   6.570 -15.646  -8.349
  647    HA   ASP  89           HA       ASP  89   7.765 -17.032 -10.533
  648   1HB   ASP  89           HB2      ASP  89   6.249 -18.864  -9.741
  649   2HB   ASP  89           HB1      ASP  89   4.872 -17.802 -10.039
  650    H    ALA  90           HN       ALA  90   4.476 -15.758  -9.872
  651    HA   ALA  90           HA       ALA  90   3.269 -14.118 -11.066
  652   1HB   ALA  90           HB3      ALA  90   5.991 -12.888 -10.604
  653   2HB   ALA  90           HB2      ALA  90   4.667 -11.979 -11.332
  654   3HB   ALA  90           HB1      ALA  90   4.505 -12.615  -9.695
   
  No H/Q in entry =         654
  Start of MODEL    2
    1   1H    ALA   1           HT2      ALA   1 -10.903  -6.240  -7.699
    2   2H    ALA   1           HT1      ALA   1 -10.878  -7.723  -8.526
    3   3H    ALA   1           HT3      ALA   1 -10.927  -6.269  -9.397
    4    HA   ALA   1           HA       ALA   1 -13.111  -6.862  -9.524
    5   1HB   ALA   1           HB3      ALA   1 -12.363  -8.634  -7.486
    6   2HB   ALA   1           HB2      ALA   1 -13.659  -7.664  -6.786
    7   3HB   ALA   1           HB1      ALA   1 -13.934  -8.554  -8.283
    8    H    SER   2           HN       SER   2 -12.274  -5.851  -6.183
    9    HA   SER   2           HA       SER   2 -13.331  -3.177  -6.653
   10   1HB   SER   2           HB2      SER   2 -15.345  -4.812  -6.243
   11   2HB   SER   2           HB1      SER   2 -14.821  -4.742  -4.563
   12    HG   SER   2           HG       SER   2 -15.832  -2.726  -6.231
   13    H    MET   3           HN       MET   3 -13.038  -5.404  -3.856
   14    HA   MET   3           HA       MET   3 -10.692  -3.985  -2.864
   15   1HB   MET   3           HB2      MET   3 -12.485  -2.410  -2.216
   16   2HB   MET   3           HB1      MET   3 -13.322  -3.715  -1.373
   17   1HG   MET   3           HG2      MET   3 -12.040  -3.415   0.449
   18   2HG   MET   3           HG1      MET   3 -10.575  -3.626  -0.512
   19   1HE   MET   3           HE1      MET   3 -10.068  -2.067  -2.287
   20   2HE   MET   3           HE3      MET   3 -11.101  -0.664  -2.597
   21   3HE   MET   3           HE2      MET   3  -9.531  -0.452  -1.825
   22    H    THR   4           HN       THR   4 -13.360  -6.227  -2.199
   23    HA   THR   4           HA       THR   4 -11.811  -7.645  -0.149
   24    HB   THR   4           HB       THR   4 -14.353  -7.416  -0.166
   25    HG1  THR   4           HG1      THR   4 -14.569  -9.429   0.721
   26   1HG2  THR   4          HG23      THR   4 -14.561  -7.937  -2.612
   27   2HG2  THR   4          HG22      THR   4 -14.123  -9.605  -2.245
   28   3HG2  THR   4          HG21      THR   4 -15.609  -8.918  -1.589
   29    H    ASP   5           HN       ASP   5 -12.944  -8.316  -3.473
   30    HA   ASP   5           HA       ASP   5 -11.614 -10.881  -3.620
   31   1HB   ASP   5           HB2      ASP   5 -12.929  -9.030  -5.579
   32   2HB   ASP   5           HB1      ASP   5 -11.900 -10.324  -6.195
   33    H    GLN   6           HN       GLN   6 -10.694  -7.564  -4.370
   34    HA   GLN   6           HA       GLN   6  -8.291  -8.238  -5.821
   35   1HB   GLN   6           HB2      GLN   6  -9.605  -5.954  -5.610
   36   2HB   GLN   6           HB1      GLN   6  -8.529  -5.702  -4.235
   37   1HG   GLN   6           HG2      GLN   6  -6.586  -5.825  -5.586
   38   2HG   GLN   6           HG1      GLN   6  -7.467  -6.556  -6.929
   39   1HE2  GLN   6          HE22      GLN   6  -7.334  -3.183  -8.165
   40   2HE2  GLN   6          HE21      GLN   6  -6.526  -4.675  -8.215
   41    H    GLN   7           HN       GLN   7  -8.994  -7.519  -2.415
   42    HA   GLN   7           HA       GLN   7  -6.227  -7.677  -1.574
   43   1HB   GLN   7           HB2      GLN   7  -7.190  -7.791   0.715
   44   2HB   GLN   7           HB1      GLN   7  -7.885  -6.472  -0.228
   45   1HG   GLN   7           HG2      GLN   7  -9.824  -7.904  -0.789
   46   2HG   GLN   7           HG1      GLN   7  -9.137  -9.204   0.183
   47   1HE2  GLN   7          HE22      GLN   7 -11.313  -7.716   2.646
   48   2HE2  GLN   7          HE21      GLN   7 -11.283  -8.893   1.424
   49    H    ALA   8           HN       ALA   8  -8.869  -9.997  -1.893
   50    HA   ALA   8           HA       ALA   8  -7.696 -12.131  -0.400
   51   1HB   ALA   8           HB3      ALA   8  -9.926 -11.776  -2.213
   52   2HB   ALA   8           HB2      ALA   8  -9.088 -13.290  -2.559
   53   3HB   ALA   8           HB1      ALA   8  -9.714 -12.977  -0.940
   54    H    GLU   9           HN       GLU   9  -7.310 -11.115  -3.777
   55    HA   GLU   9           HA       GLU   9  -5.750 -13.359  -4.632
   56   1HB   GLU   9           HB2      GLU   9  -5.768 -10.482  -5.594
   57   2HB   GLU   9           HB1      GLU   9  -4.952 -11.805  -6.428
   58   1HG   GLU   9           HG2      GLU   9  -7.846 -12.116  -5.706
   59   2HG   GLU   9           HG1      GLU   9  -7.416 -11.129  -7.105
   60    H    ALA  10           HN       ALA  10  -4.590 -10.058  -3.847
   61    HA   ALA  10           HA       ALA  10  -1.843 -10.752  -3.713
   62   1HB   ALA  10           HB2      ALA  10  -3.389  -8.437  -3.302
   63   2HB   ALA  10           HB1      ALA  10  -2.516  -8.688  -1.791
   64   3HB   ALA  10           HB3      ALA  10  -1.628  -8.545  -3.308
   65    H    ARG  11           HN       ARG  11  -4.414 -11.480  -1.560
   66    HA   ARG  11           HA       ARG  11  -2.773 -11.749   0.837
   67   1HB   ARG  11           HB2      ARG  11  -5.226 -11.315   0.923
   68   2HB   ARG  11           HB1      ARG  11  -5.508 -12.909   0.224
   69   1HG   ARG  11           HG2      ARG  11  -4.969 -14.005   2.163
   70   2HG   ARG  11           HG1      ARG  11  -3.745 -12.818   2.615
   71   1HD   ARG  11           HD2      ARG  11  -5.212 -11.716   3.920
   72   2HD   ARG  11           HD1      ARG  11  -6.370 -11.599   2.597
   73    HE   ARG  11           HE       ARG  11  -6.358 -14.255   3.747
   74   1HH1  ARG  11          HH21      ARG  11  -8.402 -11.826   3.006
   75   2HH1  ARG  11          HH22      ARG  11  -9.352 -11.885   4.452
   76   1HH2  ARG  11          HH11      ARG  11  -7.163 -13.991   6.123
   77   2HH2  ARG  11          HH12      ARG  11  -8.652 -13.110   6.218
   78    H    ALA  12           HN       ALA  12  -3.879 -13.867  -1.760
   79    HA   ALA  12           HA       ALA  12  -3.415 -16.403  -0.745
   80   1HB   ALA  12           HB1      ALA  12  -3.004 -15.173  -3.438
   81   2HB   ALA  12           HB3      ALA  12  -2.358 -16.791  -3.162
   82   3HB   ALA  12           HB2      ALA  12  -4.082 -16.484  -2.957
   83    H    PHE  13           HN       PHE  13  -0.885 -14.412  -2.333
   84    HA   PHE  13           HA       PHE  13   1.212 -16.187  -1.333
   85   1HB   PHE  13           HB2      PHE  13   1.916 -13.474  -2.333
   86   2HB   PHE  13           HB1      PHE  13   2.633 -15.037  -2.723
   87    HD1  PHE  13           HD1      PHE  13   0.341 -16.630  -3.599
   88    HD2  PHE  13           HD2      PHE  13   1.262 -12.505  -4.364
   89    HE1  PHE  13           HE1      PHE  13  -0.997 -16.718  -5.687
   90    HE2  PHE  13           HE2      PHE  13  -0.075 -12.591  -6.449
   91    HZ   PHE  13           HZ       PHE  13  -1.205 -14.698  -7.112
   92    H    LEU  14           HN       LEU  14  -0.218 -13.119  -0.381
   93    HA   LEU  14           HA       LEU  14   1.870 -12.584   1.610
   94   1HB   LEU  14           HB2      LEU  14  -0.714 -11.253   0.818
   95   2HB   LEU  14           HB1      LEU  14   0.109 -10.790   2.307
   96    HG   LEU  14           HG       LEU  14   0.705  -9.443   0.205
   97   1HD1  LEU  14          HD11      LEU  14   2.708 -10.832   1.979
   98   2HD1  LEU  14          HD13      LEU  14   3.232  -9.667   0.764
   99   3HD1  LEU  14          HD12      LEU  14   2.138  -9.164   2.052
  100   1HD2  LEU  14          HD22      LEU  14   2.155 -12.042  -0.400
  101   2HD2  LEU  14          HD21      LEU  14   0.859 -11.326  -1.360
  102   3HD2  LEU  14          HD23      LEU  14   2.422 -10.518  -1.246
  103    H    SER  15           HN       SER  15   1.620 -14.664   2.768
  104    HA   SER  15           HA       SER  15  -0.663 -15.688   3.974
  105   1HB   SER  15           HB2      SER  15   1.405 -16.857   4.273
  106   2HB   SER  15           HB1      SER  15   2.157 -15.467   5.050
  107    HG   SER  15           HG       SER  15   1.460 -16.322   6.831
  108    H    GLU  16           HN       GLU  16  -1.199 -15.500   6.421
  109    HA   GLU  16           HA       GLU  16  -2.004 -12.785   6.953
  110   1HB   GLU  16           HB2      GLU  16  -2.490 -15.391   8.059
  111   2HB   GLU  16           HB1      GLU  16  -2.066 -14.288   9.367
  112   1HG   GLU  16           HG2      GLU  16  -4.226 -13.614   9.273
  113   2HG   GLU  16           HG1      GLU  16  -3.755 -12.755   7.806
  114    H    GLU  17           HN       GLU  17   0.791 -14.694   7.838
  115    HA   GLU  17           HA       GLU  17   1.685 -13.185  10.081
  116   1HB   GLU  17           HB2      GLU  17   3.248 -14.682   7.958
  117   2HB   GLU  17           HB1      GLU  17   3.962 -14.037   9.436
  118   1HG   GLU  17           HG2      GLU  17   2.393 -15.398  10.781
  119   2HG   GLU  17           HG1      GLU  17   1.708 -16.062   9.298
  120    H    MET  18           HN       MET  18   1.821 -12.544   6.635
  121    HA   MET  18           HA       MET  18   3.800 -10.439   6.788
  122   1HB   MET  18           HB2      MET  18   1.664 -11.073   4.731
  123   2HB   MET  18           HB1      MET  18   2.875  -9.805   4.527
  124   1HG   MET  18           HG2      MET  18   4.161 -12.252   5.356
  125   2HG   MET  18           HG1      MET  18   3.161 -12.557   3.936
  126   1HE   MET  18           HE2      MET  18   4.925 -13.324   2.908
  127   2HE   MET  18           HE1      MET  18   4.944 -12.315   1.463
  128   3HE   MET  18           HE3      MET  18   6.419 -12.533   2.414
  129    H    ILE  19           HN       ILE  19   0.425  -9.938   5.763
  130    HA   ILE  19           HA       ILE  19   0.211  -7.251   6.407
  131    HB   ILE  19           HB       ILE  19  -2.013  -9.223   6.980
  132   1HG1  ILE  19          HG12      ILE  19  -2.241  -8.252   4.346
  133   2HG1  ILE  19          HG11      ILE  19  -0.559  -8.756   4.516
  134   1HG2  ILE  19          HG23      ILE  19  -2.124  -6.645   7.427
  135   2HG2  ILE  19          HG22      ILE  19  -2.244  -6.523   5.672
  136   3HG2  ILE  19          HG21      ILE  19  -3.459  -7.424   6.578
  137   1HD1  ILE  19          HD11      ILE  19  -2.780 -10.529   5.504
  138   2HD1  ILE  19          HD13      ILE  19  -2.325 -10.538   3.801
  139   3HD1  ILE  19          HD12      ILE  19  -1.139 -10.970   5.033
  140    H    ALA  20           HN       ALA  20   0.264  -9.971   8.606
  141    HA   ALA  20           HA       ALA  20  -0.852  -8.799  10.919
  142   1HB   ALA  20           HB3      ALA  20   0.816 -11.080  10.298
  143   2HB   ALA  20           HB2      ALA  20   1.360 -10.314  11.790
  144   3HB   ALA  20           HB1      ALA  20  -0.309 -10.862  11.639
  145    H    GLU  21           HN       GLU  21   2.638  -8.931  10.085
  146    HA   GLU  21           HA       GLU  21   3.235  -6.876  12.079
  147   1HB   GLU  21           HB2      GLU  21   4.705  -8.869  10.802
  148   2HB   GLU  21           HB1      GLU  21   5.331  -7.373  10.107
  149   1HG   GLU  21           HG2      GLU  21   4.922  -7.575  13.078
  150   2HG   GLU  21           HG1      GLU  21   6.364  -8.276  12.344
  151    H    PHE  22           HN       PHE  22   2.047  -6.813   8.927
  152    HA   PHE  22           HA       PHE  22   3.440  -4.453   7.966
  153   1HB   PHE  22           HB2      PHE  22   2.333  -6.063   6.438
  154   2HB   PHE  22           HB1      PHE  22   0.769  -5.609   7.112
  155    HD1  PHE  22           HD2      PHE  22   3.759  -3.539   6.218
  156    HD2  PHE  22           HD1      PHE  22  -0.382  -4.399   5.469
  157    HE1  PHE  22           HE2      PHE  22   3.642  -1.614   4.660
  158    HE2  PHE  22           HE1      PHE  22  -0.499  -2.474   3.910
  159    HZ   PHE  22           HZ       PHE  22   1.514  -1.082   3.506
  160    H    LYS  23           HN       LYS  23   0.290  -5.032   9.528
  161    HA   LYS  23           HA       LYS  23  -0.600  -2.313   9.445
  162   1HB   LYS  23           HB2      LYS  23  -2.239  -2.980  11.088
  163   2HB   LYS  23           HB1      LYS  23  -2.018  -4.339   9.984
  164   1HG   LYS  23           HG2      LYS  23  -0.103  -4.912  11.814
  165   2HG   LYS  23           HG1      LYS  23  -1.272  -4.088  12.845
  166   1HD   LYS  23           HD2      LYS  23  -3.047  -5.604  11.781
  167   2HD   LYS  23           HD1      LYS  23  -1.701  -6.550  11.147
  168   1HE   LYS  23           HE2      LYS  23  -2.596  -7.388  13.351
  169   2HE   LYS  23           HE1      LYS  23  -0.876  -6.999  13.373
  170   1HZ   LYS  23           HZ2      LYS  23  -2.582  -4.768  14.003
  171   2HZ   LYS  23           HZ1      LYS  23  -2.707  -6.048  15.113
  172   3HZ   LYS  23           HZ3      LYS  23  -1.198  -5.338  14.806
  173    H    ALA  24           HN       ALA  24   1.904  -3.794  11.224
  174    HA   ALA  24           HA       ALA  24   1.805  -2.264  13.645
  175   1HB   ALA  24           HB2      ALA  24   4.209  -3.416  12.196
  176   2HB   ALA  24           HB1      ALA  24   4.193  -2.863  13.872
  177   3HB   ALA  24           HB3      ALA  24   3.229  -4.261  13.396
  178    H    ALA  25           HN       ALA  25   4.246  -1.817  11.073
  179    HA   ALA  25           HA       ALA  25   4.728   0.919  11.846
  180   1HB   ALA  25           HB3      ALA  25   5.565  -0.817   9.539
  181   2HB   ALA  25           HB2      ALA  25   5.879   0.918   9.487
  182   3HB   ALA  25           HB1      ALA  25   6.562  -0.064  10.783
  183    H    PHE  26           HN       PHE  26   2.381  -0.574   9.795
  184    HA   PHE  26           HA       PHE  26   1.881   1.593   7.995
  185   1HB   PHE  26           HB2      PHE  26   0.911  -0.571   7.536
  186   2HB   PHE  26           HB1      PHE  26   0.050  -0.567   9.076
  187    HD1  PHE  26           HD1      PHE  26   0.330   1.206   5.806
  188    HD2  PHE  26           HD2      PHE  26  -2.069   0.476   9.294
  189    HE1  PHE  26           HE1      PHE  26  -1.575   2.385   4.742
  190    HE2  PHE  26           HE2      PHE  26  -3.974   1.655   8.230
  191    HZ   PHE  26           HZ       PHE  26  -3.726   2.610   5.955
  192    H    ASP  27           HN       ASP  27   0.238   0.729  11.060
  193    HA   ASP  27           HA       ASP  27  -1.176   3.299  11.075
  194   1HB   ASP  27           HB2      ASP  27  -2.110   2.493  13.217
  195   2HB   ASP  27           HB1      ASP  27  -2.267   1.269  11.956
  196    H    MET  28           HN       MET  28   1.938   2.732  11.532
  197    HA   MET  28           HA       MET  28   2.527   3.743  14.143
  198   1HB   MET  28           HB2      MET  28   4.019   2.774  12.033
  199   2HB   MET  28           HB1      MET  28   4.454   4.484  12.053
  200   1HG   MET  28           HG2      MET  28   4.852   4.260  14.540
  201   2HG   MET  28           HG1      MET  28   4.646   2.520  14.351
  202   1HE   MET  28           HE3      MET  28   6.669   3.560  15.703
  203   2HE   MET  28           HE2      MET  28   8.160   2.809  15.141
  204   3HE   MET  28           HE1      MET  28   7.922   4.542  14.934
  205    H    PHE  29           HN       PHE  29   2.826   5.482  11.016
  206    HA   PHE  29           HA       PHE  29   3.010   8.062  12.250
  207   1HB   PHE  29           HB2      PHE  29   2.454   7.073   9.473
  208   2HB   PHE  29           HB1      PHE  29   2.189   8.776   9.845
  209    HD1  PHE  29           HD2      PHE  29   4.723   6.848  11.669
  210    HD2  PHE  29           HD1      PHE  29   4.020   9.488   8.352
  211    HE1  PHE  29           HE2      PHE  29   7.161   7.269  11.485
  212    HE2  PHE  29           HE1      PHE  29   6.456   9.908   8.170
  213    HZ   PHE  29           HZ       PHE  29   8.027   8.798   9.736
  214    H    ASP  30           HN       ASP  30   0.263   6.249  10.902
  215    HA   ASP  30           HA       ASP  30  -1.553   8.358  11.985
  216   1HB   ASP  30           HB2      ASP  30  -1.521   7.018   9.508
  217   2HB   ASP  30           HB1      ASP  30  -2.880   6.332  10.397
  218    H    ALA  31           HN       ALA  31  -2.128   7.802  14.045
  219    HA   ALA  31           HA       ALA  31  -2.927   4.955  14.513
  220   1HB   ALA  31           HB2      ALA  31  -1.289   6.843  16.141
  221   2HB   ALA  31           HB1      ALA  31  -2.387   5.771  17.011
  222   3HB   ALA  31           HB3      ALA  31  -1.140   5.096  15.961
  223    H    ASP  32           HN       ASP  32  -3.456   8.303  15.678
  224    HA   ASP  32           HA       ASP  32  -5.983   7.613  16.930
  225   1HB   ASP  32           HB2      ASP  32  -4.241   9.831  16.942
  226   2HB   ASP  32           HB1      ASP  32  -5.762  10.424  16.273
  227    H    GLY  33           HN       GLY  33  -4.992   8.560  13.732
  228   1HA   GLY  33           HA2      GLY  33  -7.503   9.584  12.798
  229   2HA   GLY  33           HA1      GLY  33  -6.232   8.920  11.771
  230    H    GLY  34           HN       GLY  34  -6.166   6.557  11.519
  231   1HA   GLY  34           HA2      GLY  34  -8.194   4.818  12.535
  232   2HA   GLY  34           HA1      GLY  34  -8.693   5.408  10.949
  233    H    GLY  35           HN       GLY  35  -5.984   5.605   9.895
  234   1HA   GLY  35           HA2      GLY  35  -4.123   3.810   9.788
  235   2HA   GLY  35           HA1      GLY  35  -5.459   2.687   9.530
  236    H    ASP  36           HN       ASP  36  -3.721   5.423   8.124
  237    HA   ASP  36           HA       ASP  36  -4.017   4.418   5.455
  238   1HB   ASP  36           HB2      ASP  36  -5.444   6.374   4.629
  239   2HB   ASP  36           HB1      ASP  36  -6.301   5.122   5.531
  240    H    ILE  37           HN       ILE  37  -2.544   5.462   4.118
  241    HA   ILE  37           HA       ILE  37  -1.135   7.802   5.330
  242    HB   ILE  37           HB       ILE  37   0.244   6.426   3.129
  243   1HG1  ILE  37          HG12      ILE  37  -0.919   4.483   4.186
  244   2HG1  ILE  37          HG11      ILE  37   0.830   4.418   4.405
  245   1HG2  ILE  37          HG22      ILE  37   0.807   7.575   5.821
  246   2HG2  ILE  37          HG21      ILE  37   1.926   6.351   5.219
  247   3HG2  ILE  37          HG23      ILE  37   1.648   7.826   4.291
  248   1HD1  ILE  37          HD11      ILE  37   0.215   5.785   6.621
  249   2HD1  ILE  37          HD13      ILE  37  -1.315   4.933   6.413
  250   3HD1  ILE  37          HD12      ILE  37   0.186   4.022   6.581
  251    H    SER  38           HN       SER  38  -0.861   9.649   4.075
  252    HA   SER  38           HA       SER  38  -2.335   9.657   1.480
  253   1HB   SER  38           HB2      SER  38  -1.470  12.232   2.648
  254   2HB   SER  38           HB1      SER  38  -3.027  11.774   1.962
  255    HG   SER  38           HG       SER  38  -3.630  11.637   3.969
  256    H    THR  39           HN       THR  39  -1.349  11.018  -0.263
  257    HA   THR  39           HA       THR  39   1.256  10.258  -0.928
  258    HB   THR  39           HB       THR  39   1.251  12.133  -2.532
  259    HG1  THR  39           HG1      THR  39   0.283  13.638  -1.061
  260   1HG2  THR  39          HG23      THR  39  -1.066  10.324  -2.139
  261   2HG2  THR  39          HG22      THR  39  -1.297  11.642  -3.289
  262   3HG2  THR  39          HG21      THR  39   0.016  10.488  -3.522
  263    H    LYS  40           HN       LYS  40   0.198  13.010   1.021
  264    HA   LYS  40           HA       LYS  40   2.705  14.384   1.119
  265   1HB   LYS  40           HB2      LYS  40   0.692  15.492   1.891
  266   2HB   LYS  40           HB1      LYS  40   0.431  14.254   3.120
  267   1HG   LYS  40           HG2      LYS  40   2.423  14.917   4.312
  268   2HG   LYS  40           HG1      LYS  40   2.891  16.017   3.015
  269   1HD   LYS  40           HD2      LYS  40   0.991  17.446   3.448
  270   2HD   LYS  40           HD1      LYS  40   0.326  16.290   4.603
  271   1HE   LYS  40           HE2      LYS  40   2.018  16.720   6.191
  272   2HE   LYS  40           HE1      LYS  40   3.075  17.466   4.992
  273   1HZ   LYS  40           HZ2      LYS  40   1.035  19.089   4.786
  274   2HZ   LYS  40           HZ1      LYS  40   0.760  18.582   6.385
  275   3HZ   LYS  40           HZ3      LYS  40   2.231  19.316   5.970
  276    H    GLU  41           HN       GLU  41   1.257  12.317   3.671
  277    HA   GLU  41           HA       GLU  41   3.948  11.893   4.809
  278   1HB   GLU  41           HB2      GLU  41   1.155  11.101   5.661
  279   2HB   GLU  41           HB1      GLU  41   2.591  10.490   6.485
  280   1HG   GLU  41           HG2      GLU  41   3.216  12.616   7.250
  281   2HG   GLU  41           HG1      GLU  41   2.269  13.444   6.013
  282    H    LEU  42           HN       LEU  42   2.859  10.739   2.158
  283    HA   LEU  42           HA       LEU  42   2.966   7.840   2.668
  284   1HB   LEU  42           HB2      LEU  42   1.405   8.427   0.987
  285   2HB   LEU  42           HB1      LEU  42   2.518   9.568   0.235
  286    HG   LEU  42           HG       LEU  42   3.990   7.650  -0.396
  287   1HD1  LEU  42          HD11      LEU  42   2.022   6.252   1.267
  288   2HD1  LEU  42          HD13      LEU  42   2.286   5.470  -0.292
  289   3HD1  LEU  42          HD12      LEU  42   3.647   5.755   0.795
  290   1HD2  LEU  42          HD21      LEU  42   1.556   8.481  -1.539
  291   2HD2  LEU  42          HD23      LEU  42   2.861   7.618  -2.352
  292   3HD2  LEU  42          HD22      LEU  42   1.530   6.720  -1.625
  293    H    GLY  43           HN       GLY  43   4.881  10.298   0.918
  294   1HA   GLY  43           HA2      GLY  43   7.044   8.330   0.506
  295   2HA   GLY  43           HA1      GLY  43   7.014   9.978  -0.121
  296    H    THR  44           HN       THR  44   6.085  10.156   3.057
  297    HA   THR  44           HA       THR  44   8.673  11.270   3.844
  298    HB   THR  44           HB       THR  44   7.471  11.655   6.041
  299    HG1  THR  44           HG1      THR  44   5.926  10.160   6.128
  300   1HG2  THR  44          HG21      THR  44   7.505  13.299   4.149
  301   2HG2  THR  44          HG23      THR  44   5.982  12.613   3.584
  302   3HG2  THR  44          HG22      THR  44   6.060  13.415   5.152
  303    H    VAL  45           HN       VAL  45   7.174   8.201   3.995
  304    HA   VAL  45           HA       VAL  45   8.615   7.296   6.383
  305    HB   VAL  45           HB       VAL  45   7.110   5.702   4.282
  306   1HG1  VAL  45          HG12      VAL  45   8.754   4.412   5.653
  307   2HG1  VAL  45          HG11      VAL  45   7.935   4.975   7.110
  308   3HG1  VAL  45          HG13      VAL  45   7.086   3.935   5.966
  309   1HG2  VAL  45          HG21      VAL  45   5.797   7.464   5.573
  310   2HG2  VAL  45          HG23      VAL  45   5.218   5.808   5.760
  311   3HG2  VAL  45          HG22      VAL  45   6.179   6.556   7.036
  312    H    MET  46           HN       MET  46   8.650   6.128   2.992
  313    HA   MET  46           HA       MET  46  11.174   4.824   3.220
  314   1HB   MET  46           HB2      MET  46  11.195   4.855   0.751
  315   2HB   MET  46           HB1      MET  46   9.602   4.398   1.356
  316   1HG   MET  46           HG2      MET  46   8.829   6.730   1.073
  317   2HG   MET  46           HG1      MET  46  10.417   7.175   0.445
  318   1HE   MET  46           HE2      MET  46   7.124   5.956   0.086
  319   2HE   MET  46           HE1      MET  46   6.877   5.398  -1.567
  320   3HE   MET  46           HE3      MET  46   7.527   4.296  -0.346
  321    H    ARG  47           HN       ARG  47  10.306   8.160   2.804
  322    HA   ARG  47           HA       ARG  47  12.581   9.258   1.589
  323   1HB   ARG  47           HB2      ARG  47  10.776  10.727   2.139
  324   2HB   ARG  47           HB1      ARG  47  10.849  10.291   3.846
  325   1HG   ARG  47           HG2      ARG  47  13.363  11.368   2.712
  326   2HG   ARG  47           HG1      ARG  47  12.027  12.515   2.810
  327   1HD   ARG  47           HD2      ARG  47  12.455  10.808   5.201
  328   2HD   ARG  47           HD1      ARG  47  13.690  12.027   4.884
  329    HE   ARG  47           HE       ARG  47  10.920  13.010   4.787
  330   1HH1  ARG  47          HH11      ARG  47  13.486  14.559   5.430
  331   2HH1  ARG  47          HH12      ARG  47  13.272  14.854   7.124
  332   1HH2  ARG  47          HH21      ARG  47  10.761  12.488   7.488
  333   2HH2  ARG  47          HH22      ARG  47  11.728  13.682   8.289
  334    H    MET  48           HN       MET  48  12.110   8.364   5.008
  335    HA   MET  48           HA       MET  48  14.528   9.263   6.087
  336   1HB   MET  48           HB2      MET  48  13.105   6.641   6.647
  337   2HB   MET  48           HB1      MET  48  14.351   7.351   7.675
  338   1HG   MET  48           HG2      MET  48  12.951   9.365   7.981
  339   2HG   MET  48           HG1      MET  48  11.702   8.646   6.964
  340   1HE   MET  48           HE3      MET  48   9.870   7.988   7.793
  341   2HE   MET  48           HE2      MET  48  10.305   6.282   7.768
  342   3HE   MET  48           HE1      MET  48   9.517   6.961   9.189
  343    H    LEU  49           HN       LEU  49  14.107   5.846   5.102
  344    HA   LEU  49           HA       LEU  49  17.004   5.714   4.526
  345   1HB   LEU  49           HB2      LEU  49  14.924   3.517   4.323
  346   2HB   LEU  49           HB1      LEU  49  16.677   3.318   4.365
  347    HG   LEU  49           HG       LEU  49  16.302   4.754   6.639
  348   1HD1  LEU  49          HD13      LEU  49  13.776   3.221   6.063
  349   2HD1  LEU  49          HD12      LEU  49  14.314   3.457   7.725
  350   3HD1  LEU  49          HD11      LEU  49  13.955   4.853   6.707
  351   1HD2  LEU  49          HD23      LEU  49  17.536   2.604   6.350
  352   2HD2  LEU  49          HD22      LEU  49  16.561   2.625   7.820
  353   3HD2  LEU  49          HD21      LEU  49  15.996   1.744   6.400
  354    H    GLY  50           HN       GLY  50  15.866   7.403   2.710
  355   1HA   GLY  50           HA2      GLY  50  16.286   5.952   0.205
  356   2HA   GLY  50           HA1      GLY  50  14.637   6.539   0.411
  357    H    GLN  51           HN       GLN  51  14.301   8.472  -0.544
  358    HA   GLN  51           HA       GLN  51  16.396  10.582  -0.333
  359   1HB   GLN  51           HB2      GLN  51  15.040  10.495  -2.942
  360   2HB   GLN  51           HB1      GLN  51  16.741  10.772  -2.580
  361   1HG   GLN  51           HG2      GLN  51  15.463   8.033  -2.426
  362   2HG   GLN  51           HG1      GLN  51  16.217   8.648  -3.897
  363   1HE2  GLN  51          HE22      GLN  51  18.793   6.768  -1.898
  364   2HE2  GLN  51          HE21      GLN  51  17.278   6.356  -2.542
  365    H    ASN  52           HN       ASN  52  15.395  12.743  -0.380
  366    HA   ASN  52           HA       ASN  52  12.639  12.753   0.403
  367   1HB   ASN  52           HB2      ASN  52  14.514  14.873  -0.643
  368   2HB   ASN  52           HB1      ASN  52  12.803  15.235  -0.409
  369   1HD2  ASN  52          HD22      ASN  52  13.893  16.117   2.886
  370   2HD2  ASN  52          HD21      ASN  52  13.495  16.747   1.361
  371    HA   PRO  53           HA       PRO  53  11.254  12.180  -3.791
  372   1HB   PRO  53           HB2      PRO  53   8.658  11.619  -3.119
  373   2HB   PRO  53           HB1      PRO  53   9.985  10.460  -2.934
  374   1HG   PRO  53           HG2      PRO  53   8.496  11.905  -0.831
  375   2HG   PRO  53           HG1      PRO  53   9.518  10.467  -0.694
  376   1HD   PRO  53           HD2      PRO  53  10.213  13.211  -0.062
  377   2HD   PRO  53           HD1      PRO  53  11.201  11.745   0.132
  378    H    THR  54           HN       THR  54   8.601  12.860  -4.515
  379    HA   THR  54           HA       THR  54   8.479  15.804  -4.006
  380    HB   THR  54           HB       THR  54   7.966  14.455  -6.670
  381    HG1  THR  54           HG1      THR  54  10.135  16.140  -6.058
  382   1HG2  THR  54          HG21      THR  54   8.047  17.320  -5.730
  383   2HG2  THR  54          HG23      THR  54   8.175  16.880  -7.433
  384   3HG2  THR  54          HG22      THR  54   6.719  16.473  -6.523
  385    H    LYS  55           HN       LYS  55   6.242  16.660  -4.722
  386    HA   LYS  55           HA       LYS  55   4.205  15.144  -3.380
  387   1HB   LYS  55           HB2      LYS  55   4.187  17.638  -3.632
  388   2HB   LYS  55           HB1      LYS  55   3.837  17.421  -5.347
  389   1HG   LYS  55           HG2      LYS  55   1.924  15.828  -4.267
  390   2HG   LYS  55           HG1      LYS  55   2.071  17.043  -2.996
  391   1HD   LYS  55           HD2      LYS  55   1.297  18.744  -4.337
  392   2HD   LYS  55           HD1      LYS  55   1.960  18.027  -5.806
  393   1HE   LYS  55           HE2      LYS  55  -0.162  17.380  -6.257
  394   2HE   LYS  55           HE1      LYS  55   0.081  16.158  -5.008
  395   1HZ   LYS  55           HZ2      LYS  55  -0.683  17.852  -3.375
  396   2HZ   LYS  55           HZ1      LYS  55  -1.107  18.855  -4.679
  397   3HZ   LYS  55           HZ3      LYS  55  -1.879  17.359  -4.476
  398    H    GLU  56           HN       GLU  56   5.090  15.568  -6.776
  399    HA   GLU  56           HA       GLU  56   2.830  13.918  -7.673
  400   1HB   GLU  56           HB2      GLU  56   3.638  14.345  -9.905
  401   2HB   GLU  56           HB1      GLU  56   3.769  15.859  -9.010
  402   1HG   GLU  56           HG2      GLU  56   5.895  15.813  -9.881
  403   2HG   GLU  56           HG1      GLU  56   6.191  14.835  -8.444
  404    H    GLU  57           HN       GLU  57   6.037  13.441  -6.570
  405    HA   GLU  57           HA       GLU  57   6.738  11.117  -8.096
  406   1HB   GLU  57           HB2      GLU  57   8.082  12.636  -6.317
  407   2HB   GLU  57           HB1      GLU  57   7.647  11.286  -5.270
  408   1HG   GLU  57           HG2      GLU  57   9.557  10.374  -6.141
  409   2HG   GLU  57           HG1      GLU  57   8.471   9.918  -7.453
  410    H    LEU  58           HN       LEU  58   4.774  11.602  -5.213
  411    HA   LEU  58           HA       LEU  58   4.519   8.695  -4.778
  412   1HB   LEU  58           HB2      LEU  58   3.248  11.077  -3.393
  413   2HB   LEU  58           HB1      LEU  58   3.005   9.398  -2.913
  414    HG   LEU  58           HG       LEU  58   4.745  10.180  -1.500
  415   1HD1  LEU  58          HD11      LEU  58   5.211   8.005  -2.683
  416   2HD1  LEU  58          HD13      LEU  58   6.181   8.907  -3.848
  417   3HD1  LEU  58          HD12      LEU  58   6.663   8.854  -2.152
  418   1HD2  LEU  58          HD23      LEU  58   5.137  12.233  -2.996
  419   2HD2  LEU  58          HD22      LEU  58   6.558  11.560  -2.198
  420   3HD2  LEU  58          HD21      LEU  58   6.260  11.220  -3.902
  421    H    ASP  59           HN       ASP  59   3.169  10.934  -6.844
  422    HA   ASP  59           HA       ASP  59   0.398  10.038  -6.736
  423   1HB   ASP  59           HB2      ASP  59   1.399  12.283  -7.671
  424   2HB   ASP  59           HB1      ASP  59   1.621  11.345  -9.148
  425    H    ALA  60           HN       ALA  60   3.193   9.399  -8.866
  426    HA   ALA  60           HA       ALA  60   1.980   7.747 -10.771
  427   1HB   ALA  60           HB1      ALA  60   4.375   8.364 -10.832
  428   2HB   ALA  60           HB3      ALA  60   4.678   7.315  -9.447
  429   3HB   ALA  60           HB2      ALA  60   4.167   6.620 -10.985
  430    H    ILE  61           HN       ILE  61   3.328   6.740  -7.617
  431    HA   ILE  61           HA       ILE  61   2.289   4.033  -7.875
  432    HB   ILE  61           HB       ILE  61   2.880   5.155  -5.175
  433   1HG1  ILE  61          HG12      ILE  61   5.404   4.575  -6.059
  434   2HG1  ILE  61          HG11      ILE  61   4.713   5.355  -7.484
  435   1HG2  ILE  61          HG23      ILE  61   2.526   2.656  -6.176
  436   2HG2  ILE  61          HG22      ILE  61   4.281   2.795  -6.284
  437   3HG2  ILE  61          HG21      ILE  61   3.474   3.001  -4.729
  438   1HD1  ILE  61          HD12      ILE  61   3.893   7.192  -5.907
  439   2HD1  ILE  61          HD11      ILE  61   4.943   6.475  -4.686
  440   3HD1  ILE  61          HD13      ILE  61   5.636   7.122  -6.172
  441    H    ILE  62           HN       ILE  62   1.182   7.066  -6.500
  442    HA   ILE  62           HA       ILE  62  -1.122   5.803  -5.189
  443    HB   ILE  62           HB       ILE  62  -0.272   8.685  -5.566
  444   1HG1  ILE  62          HG12      ILE  62   0.941   7.157  -3.929
  445   2HG1  ILE  62          HG11      ILE  62   0.221   8.601  -3.215
  446   1HG2  ILE  62          HG23      ILE  62  -2.773   7.498  -4.358
  447   2HG2  ILE  62          HG22      ILE  62  -2.158   9.068  -3.844
  448   3HG2  ILE  62          HG21      ILE  62  -2.637   8.816  -5.522
  449   1HD1  ILE  62          HD13      ILE  62  -1.660   6.370  -3.311
  450   2HD1  ILE  62          HD12      ILE  62  -0.214   5.979  -2.381
  451   3HD1  ILE  62          HD11      ILE  62  -1.191   7.380  -1.943
  452    H    GLU  63           HN       GLU  63  -0.439   6.259  -8.321
  453    HA   GLU  63           HA       GLU  63  -2.971   7.500  -9.167
  454   1HB   GLU  63           HB2      GLU  63  -0.482   7.353 -10.316
  455   2HB   GLU  63           HB1      GLU  63  -1.350   6.090 -11.189
  456   1HG   GLU  63           HG2      GLU  63  -2.031   7.840 -12.491
  457   2HG   GLU  63           HG1      GLU  63  -3.225   8.051 -11.210
  458    H    GLU  64           HN       GLU  64  -1.412   4.293  -9.443
  459    HA   GLU  64           HA       GLU  64  -3.727   3.045 -10.632
  460   1HB   GLU  64           HB2      GLU  64  -2.556   0.985 -10.356
  461   2HB   GLU  64           HB1      GLU  64  -1.314   2.194 -10.677
  462   1HG   GLU  64           HG2      GLU  64  -1.395   2.398  -7.999
  463   2HG   GLU  64           HG1      GLU  64  -1.920   0.723  -8.158
  464    H    VAL  65           HN       VAL  65  -2.791   3.765  -7.348
  465    HA   VAL  65           HA       VAL  65  -4.852   1.950  -6.246
  466    HB   VAL  65           HB       VAL  65  -3.190   3.929  -4.683
  467   1HG1  VAL  65          HG11      VAL  65  -4.751   1.421  -4.121
  468   2HG1  VAL  65          HG13      VAL  65  -3.407   1.868  -3.069
  469   3HG1  VAL  65          HG12      VAL  65  -4.776   2.963  -3.264
  470   1HG2  VAL  65          HG21      VAL  65  -2.256   1.707  -6.269
  471   2HG2  VAL  65          HG23      VAL  65  -1.321   2.807  -5.255
  472   3HG2  VAL  65          HG22      VAL  65  -2.023   1.347  -4.558
  473    H    ASP  66           HN       ASP  66  -4.144   5.451  -6.357
  474    HA   ASP  66           HA       ASP  66  -6.399   6.372  -4.940
  475   1HB   ASP  66           HB2      ASP  66  -4.653   7.912  -5.607
  476   2HB   ASP  66           HB1      ASP  66  -4.966   7.595  -7.314
  477    H    GLU  67           HN       GLU  67  -6.246   4.822  -8.017
  478    HA   GLU  67           HA       GLU  67  -8.374   5.812  -9.478
  479   1HB   GLU  67           HB2      GLU  67  -8.708   3.582 -10.366
  480   2HB   GLU  67           HB1      GLU  67  -6.982   3.800 -10.076
  481   1HG   GLU  67           HG2      GLU  67  -7.287   2.685  -7.841
  482   2HG   GLU  67           HG1      GLU  67  -8.953   2.331  -8.303
  483    H    ASP  68           HN       ASP  68  -8.528   4.144  -6.405
  484    HA   ASP  68           HA       ASP  68 -11.261   3.380  -6.407
  485   1HB   ASP  68           HB2      ASP  68  -9.727   2.682  -4.630
  486   2HB   ASP  68           HB1      ASP  68  -9.544   4.356  -4.104
  487    H    GLY  69           HN       GLY  69  -9.885   6.331  -4.897
  488   1HA   GLY  69           HA2      GLY  69 -11.233   8.395  -5.904
  489   2HA   GLY  69           HA1      GLY  69 -12.566   7.586  -5.078
  490    H    SER  70           HN       SER  70  -9.196   7.816  -3.980
  491    HA   SER  70           HA       SER  70 -10.066   9.665  -1.816
  492   1HB   SER  70           HB2      SER  70  -8.830   6.936  -1.481
  493   2HB   SER  70           HB1      SER  70  -8.617   8.183  -0.255
  494    HG   SER  70           HG       SER  70 -10.603   7.871   0.346
  495    H    GLY  71           HN       GLY  71  -7.384   8.053  -3.503
  496   1HA   GLY  71           HA2      GLY  71  -5.403   9.117  -4.291
  497   2HA   GLY  71           HA1      GLY  71  -5.847  10.562  -3.381
  498    H    THR  72           HN       THR  72  -5.674   7.278  -2.074
  499    HA   THR  72           HA       THR  72  -3.081   7.747  -0.814
  500    HB   THR  72           HB       THR  72  -3.961   8.846   0.976
  501    HG1  THR  72           HG1      THR  72  -4.758   7.382   2.557
  502   1HG2  THR  72          HG21      THR  72  -6.625   7.609   0.235
  503   2HG2  THR  72          HG23      THR  72  -6.394   8.713   1.591
  504   3HG2  THR  72          HG22      THR  72  -6.109   9.270  -0.058
  505    H    ILE  73           HN       ILE  73  -2.845   5.849   0.974
  506    HA   ILE  73           HA       ILE  73  -4.054   3.397  -0.244
  507    HB   ILE  73           HB       ILE  73  -1.228   3.870   0.736
  508   1HG1  ILE  73          HG12      ILE  73  -2.242   2.792  -1.909
  509   2HG1  ILE  73          HG11      ILE  73  -1.903   4.501  -1.633
  510   1HG2  ILE  73          HG21      ILE  73  -2.842   1.430   0.670
  511   2HG2  ILE  73          HG23      ILE  73  -1.369   1.292  -0.290
  512   3HG2  ILE  73          HG22      ILE  73  -1.272   1.715   1.420
  513   1HD1  ILE  73          HD13      ILE  73   0.425   3.899  -0.974
  514   2HD1  ILE  73          HD12      ILE  73   0.073   2.217  -1.370
  515   3HD1  ILE  73          HD11      ILE  73   0.056   3.443  -2.637
  516    H    ASP  74           HN       ASP  74  -4.767   1.830   1.218
  517    HA   ASP  74           HA       ASP  74  -4.839   2.695   4.062
  518   1HB   ASP  74           HB2      ASP  74  -6.330   0.389   2.781
  519   2HB   ASP  74           HB1      ASP  74  -6.680   1.170   4.323
  520    H    PHE  75           HN       PHE  75  -5.280   0.024   5.095
  521    HA   PHE  75           HA       PHE  75  -2.462  -0.855   5.135
  522   1HB   PHE  75           HB2      PHE  75  -2.888  -1.543   7.254
  523   2HB   PHE  75           HB1      PHE  75  -4.397  -0.652   7.104
  524    HD1  PHE  75           HD2      PHE  75  -6.428  -1.934   6.097
  525    HD2  PHE  75           HD1      PHE  75  -2.910  -3.857   7.638
  526    HE1  PHE  75           HE2      PHE  75  -7.693  -4.054   6.340
  527    HE2  PHE  75           HE1      PHE  75  -4.175  -5.976   7.881
  528    HZ   PHE  75           HZ       PHE  75  -6.567  -6.075   7.233
  529    H    GLU  76           HN       GLU  76  -5.626  -1.991   4.078
  530    HA   GLU  76           HA       GLU  76  -4.553  -4.633   3.339
  531   1HB   GLU  76           HB2      GLU  76  -6.804  -5.182   2.714
  532   2HB   GLU  76           HB1      GLU  76  -6.912  -4.250   4.208
  533   1HG   GLU  76           HG2      GLU  76  -6.932  -2.313   2.197
  534   2HG   GLU  76           HG1      GLU  76  -7.946  -3.608   1.560
  535    H    GLU  77           HN       GLU  77  -4.949  -1.530   1.891
  536    HA   GLU  77           HA       GLU  77  -4.917  -2.614  -0.858
  537   1HB   GLU  77           HB2      GLU  77  -4.918   0.212   0.240
  538   2HB   GLU  77           HB1      GLU  77  -4.861  -0.166  -1.482
  539   1HG   GLU  77           HG2      GLU  77  -7.046  -0.997   0.451
  540   2HG   GLU  77           HG1      GLU  77  -7.179   0.250  -0.789
  541    H    PHE  78           HN       PHE  78  -2.736  -1.144   1.471
  542    HA   PHE  78           HA       PHE  78  -0.602  -0.432  -0.245
  543   1HB   PHE  78           HB2      PHE  78  -1.015  -0.403   2.467
  544   2HB   PHE  78           HB1      PHE  78   0.203  -1.668   2.306
  545    HD1  PHE  78           HD2      PHE  78   1.444  -0.500  -0.288
  546    HD2  PHE  78           HD1      PHE  78   0.450   1.228   3.517
  547    HE1  PHE  78           HE2      PHE  78   3.194   1.227  -0.615
  548    HE2  PHE  78           HE1      PHE  78   2.201   2.953   3.190
  549    HZ   PHE  78           HZ       PHE  78   3.572   2.953   1.124
  550    H    LEU  79           HN       LEU  79  -1.758  -3.573   0.697
  551    HA   LEU  79           HA       LEU  79   0.751  -4.918  -0.052
  552   1HB   LEU  79           HB2      LEU  79  -0.545  -7.001   0.393
  553   2HB   LEU  79           HB1      LEU  79  -0.584  -5.880   1.754
  554    HG   LEU  79           HG       LEU  79  -2.741  -5.179   0.046
  555   1HD1  LEU  79          HD13      LEU  79  -2.141  -8.040   0.043
  556   2HD1  LEU  79          HD12      LEU  79  -3.751  -7.694   0.676
  557   3HD1  LEU  79          HD11      LEU  79  -3.300  -7.137  -0.935
  558   1HD2  LEU  79          HD23      LEU  79  -2.586  -6.594   2.725
  559   2HD2  LEU  79          HD22      LEU  79  -2.729  -4.856   2.456
  560   3HD2  LEU  79          HD21      LEU  79  -4.071  -5.926   2.046
  561    H    VAL  80           HN       VAL  80  -2.360  -4.166  -1.493
  562    HA   VAL  80           HA       VAL  80  -2.098  -6.015  -3.709
  563    HB   VAL  80           HB       VAL  80  -4.001  -4.884  -4.643
  564   1HG1  VAL  80          HG13      VAL  80  -3.877  -5.473  -1.770
  565   2HG1  VAL  80          HG12      VAL  80  -5.188  -4.372  -2.198
  566   3HG1  VAL  80          HG11      VAL  80  -5.080  -5.957  -2.964
  567   1HG2  VAL  80          HG21      VAL  80  -2.753  -2.593  -3.467
  568   2HG2  VAL  80          HG23      VAL  80  -4.125  -2.635  -4.573
  569   3HG2  VAL  80          HG22      VAL  80  -4.394  -2.708  -2.832
  570    H    MET  81           HN       MET  81  -0.336  -3.303  -2.914
  571    HA   MET  81           HA       MET  81  -0.001  -2.330  -5.682
  572   1HB   MET  81           HB2      MET  81   0.027  -0.929  -3.443
  573   2HB   MET  81           HB1      MET  81   1.718  -1.431  -3.396
  574   1HG   MET  81           HG2      MET  81   2.271  -0.236  -5.296
  575   2HG   MET  81           HG1      MET  81   0.647  -0.358  -5.972
  576   1HE   MET  81           HE3      MET  81   2.656   0.697  -3.060
  577   2HE   MET  81           HE2      MET  81   2.105   2.297  -2.569
  578   3HE   MET  81           HE1      MET  81   1.178   0.872  -2.104
  579    H    MET  82           HN       MET  82   2.342  -3.303  -3.148
  580    HA   MET  82           HA       MET  82   4.390  -3.913  -5.080
  581   1HB   MET  82           HB2      MET  82   5.492  -5.057  -3.092
  582   2HB   MET  82           HB1      MET  82   5.079  -3.358  -2.850
  583   1HG   MET  82           HG2      MET  82   2.862  -5.121  -2.154
  584   2HG   MET  82           HG1      MET  82   4.310  -5.483  -1.214
  585   1HE   MET  82           HE3      MET  82   5.544  -3.925   0.301
  586   2HE   MET  82           HE2      MET  82   4.513  -2.986   1.377
  587   3HE   MET  82           HE1      MET  82   4.130  -4.676   1.053
  588    H    VAL  83           HN       VAL  83   1.715  -5.724  -3.801
  589    HA   VAL  83           HA       VAL  83   2.832  -8.342  -4.450
  590    HB   VAL  83           HB       VAL  83   0.019  -7.423  -3.799
  591   1HG1  VAL  83          HG12      VAL  83   1.091 -10.015  -4.761
  592   2HG1  VAL  83          HG11      VAL  83   0.013 -10.105  -3.367
  593   3HG1  VAL  83          HG13      VAL  83  -0.545  -9.364  -4.868
  594   1HG2  VAL  83          HG21      VAL  83   2.144  -8.931  -2.242
  595   2HG2  VAL  83          HG23      VAL  83   1.577  -7.291  -1.922
  596   3HG2  VAL  83          HG22      VAL  83   0.494  -8.662  -1.678
  597    H    ARG  84           HN       ARG  84   1.239  -5.831  -6.196
  598    HA   ARG  84           HA       ARG  84   0.109  -7.505  -8.281
  599   1HB   ARG  84           HB2      ARG  84  -0.111  -4.841  -7.570
  600   2HB   ARG  84           HB1      ARG  84   0.831  -4.769  -9.060
  601   1HG   ARG  84           HG2      ARG  84  -0.862  -6.146 -10.206
  602   2HG   ARG  84           HG1      ARG  84  -1.805  -6.232  -8.717
  603   1HD   ARG  84           HD2      ARG  84  -2.609  -4.118  -8.957
  604   2HD   ARG  84           HD1      ARG  84  -1.066  -3.496  -9.541
  605    HE   ARG  84           HE       ARG  84  -2.336  -5.187 -11.518
  606   1HH1  ARG  84          HH21      ARG  84  -0.898  -2.368 -11.557
  607   2HH1  ARG  84          HH22      ARG  84  -2.160  -1.427 -12.278
  608   1HH2  ARG  84          HH11      ARG  84  -4.597  -3.851 -11.808
  609   2HH2  ARG  84          HH12      ARG  84  -4.257  -2.266 -12.418
  610    H    GLN  85           HN       GLN  85   3.248  -6.088  -7.663
  611    HA   GLN  85           HA       GLN  85   4.163  -6.644 -10.417
  612   1HB   GLN  85           HB2      GLN  85   4.952  -4.602  -9.271
  613   2HB   GLN  85           HB1      GLN  85   5.679  -5.595  -8.007
  614   1HG   GLN  85           HG2      GLN  85   7.538  -5.463  -9.322
  615   2HG   GLN  85           HG1      GLN  85   6.749  -6.756 -10.225
  616   1HE2  GLN  85          HE22      GLN  85   6.598  -4.776 -13.118
  617   2HE2  GLN  85          HE21      GLN  85   6.768  -6.316 -12.426
  618    H    MET  86           HN       MET  86   3.409  -9.026  -9.486
  619    HA   MET  86           HA       MET  86   5.565 -10.373  -8.032
  620   1HB   MET  86           HB2      MET  86   2.927 -11.164  -9.199
  621   2HB   MET  86           HB1      MET  86   4.123 -12.432  -8.923
  622   1HG   MET  86           HG2      MET  86   3.425 -10.423  -6.780
  623   2HG   MET  86           HG1      MET  86   2.506 -11.913  -6.985
  624   1HE   MET  86           HE3      MET  86   3.230 -11.399  -4.629
  625   2HE   MET  86           HE2      MET  86   3.755 -13.009  -4.145
  626   3HE   MET  86           HE1      MET  86   4.843 -11.639  -3.945
  627    H    LYS  87           HN       LYS  87   6.736 -12.242  -9.018
  628    HA   LYS  87           HA       LYS  87   7.665 -11.515 -11.714
  629   1HB   LYS  87           HB2      LYS  87   8.586 -13.822  -9.981
  630   2HB   LYS  87           HB1      LYS  87   9.450 -13.088 -11.332
  631   1HG   LYS  87           HG2      LYS  87   9.023 -10.901  -9.765
  632   2HG   LYS  87           HG1      LYS  87   9.184 -12.156  -8.536
  633   1HD   LYS  87           HD2      LYS  87  11.418 -11.828  -8.787
  634   2HD   LYS  87           HD1      LYS  87  11.231 -12.795 -10.250
  635   1HE   LYS  87           HE2      LYS  87  11.604 -11.016 -11.594
  636   2HE   LYS  87           HE1      LYS  87  10.513  -9.989 -10.664
  637   1HZ   LYS  87           HZ2      LYS  87  12.402 -10.012  -8.942
  638   2HZ   LYS  87           HZ1      LYS  87  13.383 -10.508 -10.239
  639   3HZ   LYS  87           HZ3      LYS  87  12.566  -9.024 -10.314
  640    H    GLU  88           HN       GLU  88   5.895 -14.151 -10.143
  641    HA   GLU  88           HA       GLU  88   5.873 -15.863 -12.475
  642   1HB   GLU  88           HB2      GLU  88   5.429 -16.647 -10.128
  643   2HB   GLU  88           HB1      GLU  88   3.880 -15.806 -10.193
  644   1HG   GLU  88           HG2      GLU  88   3.145 -17.178 -12.053
  645   2HG   GLU  88           HG1      GLU  88   4.736 -17.929 -12.180
  646    H    ASP  89           HN       ASP  89   4.434 -12.898 -11.919
  647    HA   ASP  89           HA       ASP  89   2.876 -11.705 -13.212
  648   1HB   ASP  89           HB2      ASP  89   3.859 -13.388 -15.016
  649   2HB   ASP  89           HB1      ASP  89   2.265 -14.128 -14.866
  650    H    ALA  90           HN       ALA  90   2.045 -12.853 -10.825
  651    HA   ALA  90           HA       ALA  90  -0.812 -13.335 -11.428
  652   1HB   ALA  90           HB2      ALA  90   0.198 -15.593 -11.282
  653   2HB   ALA  90           HB1      ALA  90   0.829 -15.199  -9.684
  654   3HB   ALA  90           HB3      ALA  90  -0.913 -15.298  -9.944
   
  No H/Q in entry =         654
  Start of MODEL    3
    1   1H    ALA   1           HT3      ALA   1 -12.768  -3.405  -9.771
    2   2H    ALA   1           HT2      ALA   1 -12.504  -4.642 -10.905
    3   3H    ALA   1           HT1      ALA   1 -14.087  -4.242 -10.434
    4    HA   ALA   1           HA       ALA   1 -13.933  -5.909  -8.985
    5   1HB   ALA   1           HB2      ALA   1 -11.078  -5.732  -9.819
    6   2HB   ALA   1           HB1      ALA   1 -11.414  -6.552  -8.294
    7   3HB   ALA   1           HB3      ALA   1 -12.156  -7.128  -9.787
    8    H    SER   2           HN       SER   2 -14.033  -5.886  -6.732
    9    HA   SER   2           HA       SER   2 -12.701  -3.560  -5.396
   10   1HB   SER   2           HB2      SER   2 -15.488  -4.529  -5.350
   11   2HB   SER   2           HB1      SER   2 -14.813  -4.185  -3.761
   12    HG   SER   2           HG       SER   2 -15.219  -2.486  -5.962
   13    H    MET   3           HN       MET   3 -14.343  -6.585  -4.398
   14    HA   MET   3           HA       MET   3 -11.853  -7.381  -2.980
   15   1HB   MET   3           HB2      MET   3 -13.770  -6.152  -1.552
   16   2HB   MET   3           HB1      MET   3 -14.422  -7.791  -1.525
   17   1HG   MET   3           HG2      MET   3 -12.664  -8.621  -0.288
   18   2HG   MET   3           HG1      MET   3 -11.511  -7.469  -0.959
   19   1HE   MET   3           HE3      MET   3 -11.876  -5.170  -0.901
   20   2HE   MET   3           HE2      MET   3 -13.148  -4.340  -0.007
   21   3HE   MET   3           HE1      MET   3 -11.532  -4.462   0.683
   22    H    THR   4           HN       THR   4 -13.153  -8.358  -5.407
   23    HA   THR   4           HA       THR   4 -14.432 -10.891  -4.614
   24    HB   THR   4           HB       THR   4 -15.424  -9.959  -6.541
   25    HG1  THR   4           HG1      THR   4 -14.677 -11.390  -8.250
   26   1HG2  THR   4          HG21      THR   4 -12.603  -9.257  -7.237
   27   2HG2  THR   4          HG23      THR   4 -13.759  -9.466  -8.552
   28   3HG2  THR   4          HG22      THR   4 -14.055  -8.258  -7.302
   29    H    ASP   5           HN       ASP   5 -12.360 -11.124  -7.379
   30    HA   ASP   5           HA       ASP   5 -10.717 -13.097  -5.926
   31   1HB   ASP   5           HB2      ASP   5 -11.768 -13.234  -8.382
   32   2HB   ASP   5           HB1      ASP   5 -10.248 -12.445  -8.804
   33    H    GLN   6           HN       GLN   6 -10.516  -9.849  -7.123
   34    HA   GLN   6           HA       GLN   6  -7.697  -9.617  -7.474
   35   1HB   GLN   6           HB2      GLN   6  -9.838  -7.900  -7.682
   36   2HB   GLN   6           HB1      GLN   6  -9.011  -7.281  -6.252
   37   1HG   GLN   6           HG2      GLN   6  -7.058  -6.790  -7.424
   38   2HG   GLN   6           HG1      GLN   6  -7.403  -7.966  -8.693
   39   1HE2  GLN   6          HE22      GLN   6  -9.263  -4.297  -8.852
   40   2HE2  GLN   6          HE21      GLN   6  -8.715  -4.883  -7.357
   41    H    GLN   7           HN       GLN   7  -9.635  -8.644  -4.618
   42    HA   GLN   7           HA       GLN   7  -7.334  -8.352  -2.921
   43   1HB   GLN   7           HB2      GLN   7 -10.266  -8.296  -2.613
   44   2HB   GLN   7           HB1      GLN   7  -9.397  -8.858  -1.184
   45   1HG   GLN   7           HG2      GLN   7  -9.720  -6.373  -1.222
   46   2HG   GLN   7           HG1      GLN   7  -8.024  -6.852  -1.166
   47   1HE2  GLN   7          HE22      GLN   7  -9.272  -5.793  -4.930
   48   2HE2  GLN   7          HE21      GLN   7 -10.176  -6.916  -4.032
   49    H    ALA   8           HN       ALA   8  -9.431 -11.063  -3.723
   50    HA   ALA   8           HA       ALA   8  -8.609 -12.803  -1.593
   51   1HB   ALA   8           HB3      ALA   8 -10.117 -13.026  -4.085
   52   2HB   ALA   8           HB2      ALA   8  -9.131 -14.455  -3.777
   53   3HB   ALA   8           HB1      ALA   8 -10.309 -13.921  -2.579
   54    H    GLU   9           HN       GLU   9  -7.139 -11.892  -4.635
   55    HA   GLU   9           HA       GLU   9  -5.221 -14.069  -4.699
   56   1HB   GLU   9           HB2      GLU   9  -5.956 -11.892  -6.380
   57   2HB   GLU   9           HB1      GLU   9  -4.232 -11.734  -6.043
   58   1HG   GLU   9           HG2      GLU   9  -4.539 -14.454  -6.486
   59   2HG   GLU   9           HG1      GLU   9  -5.629 -13.725  -7.667
   60    H    ALA  10           HN       ALA  10  -5.190 -10.732  -3.475
   61    HA   ALA  10           HA       ALA  10  -2.392 -10.882  -2.669
   62   1HB   ALA  10           HB1      ALA  10  -3.458  -8.722  -3.219
   63   2HB   ALA  10           HB3      ALA  10  -4.563  -8.925  -1.860
   64   3HB   ALA  10           HB2      ALA  10  -2.836  -8.722  -1.568
   65    H    ARG  11           HN       ARG  11  -5.408 -11.856  -1.304
   66    HA   ARG  11           HA       ARG  11  -4.394 -11.855   1.461
   67   1HB   ARG  11           HB2      ARG  11  -6.981 -12.570   0.123
   68   2HB   ARG  11           HB1      ARG  11  -6.639 -13.235   1.720
   69   1HG   ARG  11           HG2      ARG  11  -6.001 -10.387   1.543
   70   2HG   ARG  11           HG1      ARG  11  -7.702 -10.719   1.210
   71   1HD   ARG  11           HD2      ARG  11  -7.713 -12.151   3.313
   72   2HD   ARG  11           HD1      ARG  11  -6.122 -11.481   3.677
   73    HE   ARG  11           HE       ARG  11  -7.921  -9.328   3.153
   74   1HH1  ARG  11          HH21      ARG  11  -7.944 -12.005   5.275
   75   2HH1  ARG  11          HH22      ARG  11  -8.288 -11.066   6.690
   76   1HH2  ARG  11          HH11      ARG  11  -8.073  -8.021   5.048
   77   2HH2  ARG  11          HH12      ARG  11  -8.366  -8.812   6.561
   78    H    ALA  12           HN       ALA  12  -4.550 -14.002  -1.259
   79    HA   ALA  12           HA       ALA  12  -4.260 -16.458   0.277
   80   1HB   ALA  12           HB1      ALA  12  -4.792 -15.805  -2.403
   81   2HB   ALA  12           HB3      ALA  12  -3.227 -16.620  -2.434
   82   3HB   ALA  12           HB2      ALA  12  -4.628 -17.426  -1.728
   83    H    PHE  13           HN       PHE  13  -1.993 -14.652  -1.840
   84    HA   PHE  13           HA       PHE  13   0.317 -16.137  -1.085
   85   1HB   PHE  13           HB2      PHE  13   0.131 -14.554  -3.047
   86   2HB   PHE  13           HB1      PHE  13   0.262 -13.219  -1.902
   87    HD1  PHE  13           HD1      PHE  13   2.012 -16.217  -3.236
   88    HD2  PHE  13           HD2      PHE  13   2.362 -12.601  -0.944
   89    HE1  PHE  13           HE1      PHE  13   4.481 -16.453  -3.241
   90    HE2  PHE  13           HE2      PHE  13   4.831 -12.837  -0.948
   91    HZ   PHE  13           HZ       PHE  13   5.890 -14.764  -2.097
   92    H    LEU  14           HN       LEU  14  -1.256 -13.338   0.390
   93    HA   LEU  14           HA       LEU  14   0.911 -13.067   2.379
   94   1HB   LEU  14           HB2      LEU  14  -1.750 -11.619   2.231
   95   2HB   LEU  14           HB1      LEU  14  -0.356 -11.164   3.210
   96    HG   LEU  14           HG       LEU  14  -0.353 -11.313   0.182
   97   1HD1  LEU  14          HD13      LEU  14  -0.659  -9.004   2.114
   98   2HD1  LEU  14          HD12      LEU  14  -0.153  -8.779   0.440
   99   3HD1  LEU  14          HD11      LEU  14  -1.740  -9.462   0.797
  100   1HD2  LEU  14          HD22      LEU  14   1.697 -10.869   2.278
  101   2HD2  LEU  14          HD21      LEU  14   1.884 -11.472   0.631
  102   3HD2  LEU  14          HD23      LEU  14   1.743  -9.738   0.925
  103    H    SER  15           HN       SER  15   0.582 -15.265   3.276
  104    HA   SER  15           HA       SER  15  -1.731 -16.358   4.343
  105   1HB   SER  15           HB2      SER  15   1.020 -16.817   4.646
  106   2HB   SER  15           HB1      SER  15   0.423 -16.575   6.284
  107    HG   SER  15           HG       SER  15   0.295 -18.773   5.155
  108    H    GLU  16           HN       GLU  16  -2.477 -16.379   6.670
  109    HA   GLU  16           HA       GLU  16  -3.147 -13.745   7.546
  110   1HB   GLU  16           HB2      GLU  16  -4.571 -15.583   8.176
  111   2HB   GLU  16           HB1      GLU  16  -3.234 -16.418   8.968
  112   1HG   GLU  16           HG2      GLU  16  -3.593 -13.705   9.989
  113   2HG   GLU  16           HG1      GLU  16  -5.038 -14.693  10.203
  114    H    GLU  17           HN       GLU  17  -0.400 -15.784   8.174
  115    HA   GLU  17           HA       GLU  17   0.468 -14.566  10.628
  116   1HB   GLU  17           HB2      GLU  17   1.791 -16.192   8.476
  117   2HB   GLU  17           HB1      GLU  17   2.788 -15.406   9.699
  118   1HG   GLU  17           HG2      GLU  17   0.394 -17.022  10.534
  119   2HG   GLU  17           HG1      GLU  17   1.912 -17.832  10.145
  120    H    MET  18           HN       MET  18   1.113 -13.839   7.207
  121    HA   MET  18           HA       MET  18   3.073 -11.817   7.626
  122   1HB   MET  18           HB2      MET  18   2.120 -12.949   5.418
  123   2HB   MET  18           HB1      MET  18   1.079 -11.525   5.413
  124   1HG   MET  18           HG2      MET  18   3.041 -10.952   4.146
  125   2HG   MET  18           HG1      MET  18   3.171 -10.121   5.696
  126   1HE   MET  18           HE3      MET  18   5.661  -9.877   4.701
  127   2HE   MET  18           HE2      MET  18   6.793 -11.216   4.522
  128   3HE   MET  18           HE1      MET  18   5.438 -11.062   3.406
  129    H    ILE  19           HN       ILE  19  -0.404 -11.327   6.889
  130    HA   ILE  19           HA       ILE  19  -0.457  -8.563   7.486
  131    HB   ILE  19           HB       ILE  19  -2.764 -10.425   8.062
  132   1HG1  ILE  19          HG12      ILE  19  -2.827  -9.444   5.373
  133   2HG1  ILE  19          HG11      ILE  19  -1.277 -10.247   5.629
  134   1HG2  ILE  19          HG22      ILE  19  -2.842  -7.902   8.498
  135   2HG2  ILE  19          HG21      ILE  19  -2.743  -7.704   6.749
  136   3HG2  ILE  19          HG23      ILE  19  -4.113  -8.555   7.464
  137   1HD1  ILE  19          HD11      ILE  19  -3.978 -11.446   6.305
  138   2HD1  ILE  19          HD13      ILE  19  -3.034 -11.833   4.866
  139   3HD1  ILE  19          HD12      ILE  19  -2.414 -12.245   6.464
  140    H    ALA  20           HN       ALA  20  -0.225 -11.283   9.605
  141    HA   ALA  20           HA       ALA  20  -1.346 -10.032  11.956
  142   1HB   ALA  20           HB2      ALA  20  -0.555 -12.571  11.344
  143   2HB   ALA  20           HB1      ALA  20   0.790 -12.037  12.352
  144   3HB   ALA  20           HB3      ALA  20  -0.855 -12.002  12.986
  145    H    GLU  21           HN       GLU  21   1.967 -10.312  10.666
  146    HA   GLU  21           HA       GLU  21   2.987  -8.680  12.907
  147   1HB   GLU  21           HB2      GLU  21   5.156  -9.222  12.136
  148   2HB   GLU  21           HB1      GLU  21   4.215 -10.680  11.822
  149   1HG   GLU  21           HG2      GLU  21   5.058 -10.501   9.717
  150   2HG   GLU  21           HG1      GLU  21   3.804  -9.276   9.509
  151    H    PHE  22           HN       PHE  22   1.715  -8.187   9.781
  152    HA   PHE  22           HA       PHE  22   3.220  -5.704   9.284
  153   1HB   PHE  22           HB2      PHE  22   1.663  -7.516   7.712
  154   2HB   PHE  22           HB1      PHE  22   0.923  -5.920   7.595
  155    HD1  PHE  22           HD2      PHE  22   4.293  -7.567   7.493
  156    HD2  PHE  22           HD1      PHE  22   1.801  -4.362   6.088
  157    HE1  PHE  22           HE2      PHE  22   6.097  -6.839   5.955
  158    HE2  PHE  22           HE1      PHE  22   3.604  -3.635   4.549
  159    HZ   PHE  22           HZ       PHE  22   5.751  -4.873   4.481
  160    H    LYS  23           HN       LYS  23   0.258  -6.693  10.790
  161    HA   LYS  23           HA       LYS  23  -1.444  -4.526  10.562
  162   1HB   LYS  23           HB2      LYS  23  -0.715  -6.185  12.977
  163   2HB   LYS  23           HB1      LYS  23  -1.954  -4.932  13.059
  164   1HG   LYS  23           HG2      LYS  23  -2.700  -6.247  10.784
  165   2HG   LYS  23           HG1      LYS  23  -2.033  -7.574  11.734
  166   1HD   LYS  23           HD2      LYS  23  -3.514  -6.193  13.608
  167   2HD   LYS  23           HD1      LYS  23  -4.496  -6.031  12.152
  168   1HE   LYS  23           HE2      LYS  23  -3.348  -8.720  12.774
  169   2HE   LYS  23           HE1      LYS  23  -4.722  -8.166  13.731
  170   1HZ   LYS  23           HZ2      LYS  23  -5.894  -7.707  11.632
  171   2HZ   LYS  23           HZ1      LYS  23  -4.594  -8.385  10.773
  172   3HZ   LYS  23           HZ3      LYS  23  -5.512  -9.352  11.821
  173    H    ALA  24           HN       ALA  24   1.419  -4.716  12.695
  174    HA   ALA  24           HA       ALA  24   1.048  -1.930  13.548
  175   1HB   ALA  24           HB2      ALA  24   2.359  -4.151  14.615
  176   2HB   ALA  24           HB1      ALA  24   3.669  -3.085  14.105
  177   3HB   ALA  24           HB3      ALA  24   2.443  -2.500  15.231
  178    H    ALA  25           HN       ALA  25   3.032  -3.727  11.251
  179    HA   ALA  25           HA       ALA  25   4.996  -1.792  10.669
  180   1HB   ALA  25           HB3      ALA  25   3.602  -3.811   8.899
  181   2HB   ALA  25           HB2      ALA  25   4.924  -2.799   8.319
  182   3HB   ALA  25           HB1      ALA  25   5.199  -3.937   9.637
  183    H    PHE  26           HN       PHE  26   2.052  -2.297   8.683
  184    HA   PHE  26           HA       PHE  26   2.267   0.254   7.394
  185   1HB   PHE  26           HB2      PHE  26   0.963  -1.509   6.359
  186   2HB   PHE  26           HB1      PHE  26  -0.108  -1.596   7.759
  187    HD1  PHE  26           HD2      PHE  26  -1.680   0.254   8.264
  188    HD2  PHE  26           HD1      PHE  26   0.758   0.261   4.727
  189    HE1  PHE  26           HE2      PHE  26  -3.101   2.036   7.290
  190    HE2  PHE  26           HE1      PHE  26  -0.662   2.045   3.753
  191    HZ   PHE  26           HZ       PHE  26  -2.594   2.932   5.033
  192    H    ASP  27           HN       ASP  27   0.413  -0.845  10.225
  193    HA   ASP  27           HA       ASP  27  -0.861   1.746  10.603
  194   1HB   ASP  27           HB2      ASP  27  -1.712  -0.546  11.417
  195   2HB   ASP  27           HB1      ASP  27  -0.538  -0.382  12.723
  196    H    MET  28           HN       MET  28   2.287   0.841  10.930
  197    HA   MET  28           HA       MET  28   3.022   1.873  13.493
  198   1HB   MET  28           HB2      MET  28   4.421   0.555  11.683
  199   2HB   MET  28           HB1      MET  28   4.832   2.174  11.116
  200   1HG   MET  28           HG2      MET  28   6.527   1.637  12.692
  201   2HG   MET  28           HG1      MET  28   5.423   2.701  13.562
  202   1HE   MET  28           HE3      MET  28   5.137   2.381  15.719
  203   2HE   MET  28           HE2      MET  28   5.287   0.908  16.675
  204   3HE   MET  28           HE1      MET  28   6.703   1.568  15.860
  205    H    PHE  29           HN       PHE  29   3.666   3.483  10.364
  206    HA   PHE  29           HA       PHE  29   4.200   6.035  11.292
  207   1HB   PHE  29           HB2      PHE  29   2.878   5.017   8.803
  208   2HB   PHE  29           HB1      PHE  29   2.902   6.756   9.098
  209    HD1  PHE  29           HD1      PHE  29   5.235   3.822   9.354
  210    HD2  PHE  29           HD2      PHE  29   4.718   7.944   8.259
  211    HE1  PHE  29           HE1      PHE  29   7.594   3.917   8.596
  212    HE2  PHE  29           HE2      PHE  29   7.078   8.038   7.501
  213    HZ   PHE  29           HZ       PHE  29   8.516   6.026   7.670
  214    H    ASP  30           HN       ASP  30   0.945   4.722  10.588
  215    HA   ASP  30           HA       ASP  30  -0.178   7.037  12.109
  216   1HB   ASP  30           HB2      ASP  30  -2.363   5.967  10.947
  217   2HB   ASP  30           HB1      ASP  30  -1.359   7.173  10.146
  218    H    ALA  31           HN       ALA  31  -0.229   6.302  14.217
  219    HA   ALA  31           HA       ALA  31  -1.532   3.654  14.694
  220   1HB   ALA  31           HB2      ALA  31   0.757   5.008  15.911
  221   2HB   ALA  31           HB1      ALA  31  -0.424   4.480  17.108
  222   3HB   ALA  31           HB3      ALA  31   0.286   3.311  15.996
  223    H    ASP  32           HN       ASP  32  -2.595   6.570  14.325
  224    HA   ASP  32           HA       ASP  32  -4.833   6.313  16.089
  225   1HB   ASP  32           HB2      ASP  32  -3.021   6.957  17.740
  226   2HB   ASP  32           HB1      ASP  32  -2.899   8.500  16.895
  227    H    GLY  33           HN       GLY  33  -2.772   8.425  14.151
  228   1HA   GLY  33           HA2      GLY  33  -4.432  10.616  13.703
  229   2HA   GLY  33           HA1      GLY  33  -3.392   9.932  12.451
  230    H    GLY  34           HN       GLY  34  -4.727   7.350  12.382
  231   1HA   GLY  34           HA2      GLY  34  -7.484   7.336  12.048
  232   2HA   GLY  34           HA1      GLY  34  -6.871   8.031  10.545
  233    H    GLY  35           HN       GLY  35  -4.395   6.466  10.576
  234   1HA   GLY  35           HA2      GLY  35  -3.693   4.158  10.357
  235   2HA   GLY  35           HA1      GLY  35  -5.391   3.675  10.338
  236    H    ASP  36           HN       ASP  36  -3.176   5.732   8.413
  237    HA   ASP  36           HA       ASP  36  -3.763   4.261   5.984
  238   1HB   ASP  36           HB2      ASP  36  -4.843   6.195   4.801
  239   2HB   ASP  36           HB1      ASP  36  -5.850   5.508   6.075
  240    H    ILE  37           HN       ILE  37  -2.935   5.856   4.041
  241    HA   ILE  37           HA       ILE  37  -0.703   7.555   4.940
  242    HB   ILE  37           HB       ILE  37   0.657   6.046   3.110
  243   1HG1  ILE  37          HG12      ILE  37   0.295   3.656   3.935
  244   2HG1  ILE  37          HG11      ILE  37  -1.221   4.224   4.635
  245   1HG2  ILE  37          HG21      ILE  37   0.814   6.674   5.827
  246   2HG2  ILE  37          HG23      ILE  37   0.923   4.915   5.780
  247   3HG2  ILE  37          HG22      ILE  37   2.067   5.894   4.861
  248   1HD1  ILE  37          HD13      ILE  37  -0.662   4.895   1.776
  249   2HD1  ILE  37          HD12      ILE  37  -1.132   3.239   2.162
  250   3HD1  ILE  37          HD11      ILE  37  -2.203   4.579   2.572
  251    H    SER  38           HN       SER  38  -0.169   9.082   3.381
  252    HA   SER  38           HA       SER  38  -1.668   8.877   0.800
  253   1HB   SER  38           HB2      SER  38  -0.878  11.578   1.426
  254   2HB   SER  38           HB1      SER  38  -2.500  10.932   1.192
  255    HG   SER  38           HG       SER  38  -1.164  11.537   3.488
  256    H    THR  39           HN       THR  39  -0.384  11.044  -0.475
  257    HA   THR  39           HA       THR  39   2.008   9.767  -1.424
  258    HB   THR  39           HB       THR  39   2.168  11.550  -2.931
  259    HG1  THR  39           HG1      THR  39   0.880  13.564  -2.134
  260   1HG2  THR  39          HG21      THR  39  -0.360  10.530  -2.380
  261   2HG2  THR  39          HG23      THR  39  -0.619  12.273  -2.452
  262   3HG2  THR  39          HG22      THR  39   0.100  11.430  -3.825
  263    H    LYS  40           HN       LYS  40   1.379  11.867   1.234
  264    HA   LYS  40           HA       LYS  40   4.166  12.793   1.444
  265   1HB   LYS  40           HB2      LYS  40   2.399  14.319   2.146
  266   2HB   LYS  40           HB1      LYS  40   1.774  13.122   3.280
  267   1HG   LYS  40           HG2      LYS  40   4.405  13.265   4.037
  268   2HG   LYS  40           HG1      LYS  40   4.087  14.930   3.546
  269   1HD   LYS  40           HD2      LYS  40   2.671  15.305   5.285
  270   2HD   LYS  40           HD1      LYS  40   1.942  13.703   5.159
  271   1HE   LYS  40           HE2      LYS  40   3.183  13.000   6.896
  272   2HE   LYS  40           HE1      LYS  40   4.654  13.370   5.995
  273   1HZ   LYS  40           HZ2      LYS  40   3.677  15.798   6.818
  274   2HZ   LYS  40           HZ1      LYS  40   3.468  14.780   8.162
  275   3HZ   LYS  40           HZ3      LYS  40   5.007  14.966   7.473
  276    H    GLU  41           HN       GLU  41   2.076  10.333   2.830
  277    HA   GLU  41           HA       GLU  41   4.029   9.627   4.906
  278   1HB   GLU  41           HB2      GLU  41   1.576   8.083   4.023
  279   2HB   GLU  41           HB1      GLU  41   2.441   7.927   5.554
  280   1HG   GLU  41           HG2      GLU  41   1.392  10.624   4.795
  281   2HG   GLU  41           HG1      GLU  41   0.244   9.417   5.375
  282    H    LEU  42           HN       LEU  42   2.562   7.751   2.210
  283    HA   LEU  42           HA       LEU  42   4.715   5.815   2.274
  284   1HB   LEU  42           HB2      LEU  42   3.608   4.735   0.491
  285   2HB   LEU  42           HB1      LEU  42   2.301   5.480   1.406
  286    HG   LEU  42           HG       LEU  42   3.258   7.388  -0.519
  287   1HD1  LEU  42          HD13      LEU  42   3.328   4.614  -1.406
  288   2HD1  LEU  42          HD12      LEU  42   2.178   5.569  -2.342
  289   3HD1  LEU  42          HD11      LEU  42   3.867   6.068  -2.245
  290   1HD2  LEU  42          HD23      LEU  42   0.886   6.616   0.622
  291   2HD2  LEU  42          HD22      LEU  42   1.015   7.700  -0.764
  292   3HD2  LEU  42          HD21      LEU  42   0.710   5.981  -1.015
  293    H    GLY  43           HN       GLY  43   4.541   8.957   1.098
  294   1HA   GLY  43           HA2      GLY  43   6.432   8.492  -1.132
  295   2HA   GLY  43           HA1      GLY  43   5.700  10.039  -0.705
  296    H    THR  44           HN       THR  44   6.345   9.796   2.145
  297    HA   THR  44           HA       THR  44   9.099  10.791   2.000
  298    HB   THR  44           HB       THR  44   7.143  10.459   4.292
  299    HG1  THR  44           HG1      THR  44   8.177  12.904   3.521
  300   1HG2  THR  44          HG21      THR  44  10.014  10.797   4.330
  301   2HG2  THR  44          HG23      THR  44   9.222  12.219   5.010
  302   3HG2  THR  44          HG22      THR  44   8.899  10.622   5.687
  303    H    VAL  45           HN       VAL  45   7.427   8.114   3.680
  304    HA   VAL  45           HA       VAL  45   9.689   6.940   4.888
  305    HB   VAL  45           HB       VAL  45   7.246   6.265   5.178
  306   1HG1  VAL  45          HG13      VAL  45   6.963   6.019   2.633
  307   2HG1  VAL  45          HG12      VAL  45   7.795   4.473   2.807
  308   3HG1  VAL  45          HG11      VAL  45   6.261   4.749   3.634
  309   1HG2  VAL  45          HG21      VAL  45   9.162   4.975   6.111
  310   2HG2  VAL  45          HG23      VAL  45   7.818   3.928   5.657
  311   3HG2  VAL  45          HG22      VAL  45   9.237   4.043   4.615
  312    H    MET  46           HN       MET  46   8.644   6.942   1.556
  313    HA   MET  46           HA       MET  46  10.586   4.841   0.826
  314   1HB   MET  46           HB2      MET  46   8.185   5.845  -0.311
  315   2HB   MET  46           HB1      MET  46   9.479   6.205  -1.452
  316   1HG   MET  46           HG2      MET  46  10.204   3.865  -1.413
  317   2HG   MET  46           HG1      MET  46   8.971   3.486  -0.210
  318   1HE   MET  46           HE1      MET  46   6.807   4.502  -0.409
  319   2HE   MET  46           HE3      MET  46   5.904   4.881  -1.883
  320   3HE   MET  46           HE2      MET  46   5.968   3.225  -1.283
  321    H    ARG  47           HN       ARG  47  10.156   8.348   0.548
  322    HA   ARG  47           HA       ARG  47  12.462   8.783  -1.132
  323   1HB   ARG  47           HB2      ARG  47  10.433  10.381   0.031
  324   2HB   ARG  47           HB1      ARG  47  11.964  11.010   0.639
  325   1HG   ARG  47           HG2      ARG  47  12.806  11.356  -1.582
  326   2HG   ARG  47           HG1      ARG  47  11.481  10.448  -2.303
  327   1HD   ARG  47           HD2      ARG  47  11.174  12.915  -2.501
  328   2HD   ARG  47           HD1      ARG  47   9.885  12.154  -1.566
  329    HE   ARG  47           HE       ARG  47  12.197  13.514  -0.241
  330   1HH1  ARG  47          HH11      ARG  47  10.734  12.398   1.832
  331   2HH1  ARG  47          HH12      ARG  47   9.413  13.475   2.139
  332   1HH2  ARG  47          HH21      ARG  47   9.674  15.091  -0.918
  333   2HH2  ARG  47          HH22      ARG  47   8.813  14.999   0.582
  334    H    MET  48           HN       MET  48  12.173   7.713   2.055
  335    HA   MET  48           HA       MET  48  14.552   9.022   3.133
  336   1HB   MET  48           HB2      MET  48  12.716   8.205   4.599
  337   2HB   MET  48           HB1      MET  48  13.085   6.550   4.111
  338   1HG   MET  48           HG2      MET  48  14.882   6.433   5.485
  339   2HG   MET  48           HG1      MET  48  15.445   8.039   5.022
  340   1HE   MET  48           HE2      MET  48  13.190   5.865   6.775
  341   2HE   MET  48           HE1      MET  48  12.987   6.533   8.392
  342   3HE   MET  48           HE3      MET  48  11.864   6.978   7.100
  343    H    LEU  49           HN       LEU  49  13.915   5.530   2.606
  344    HA   LEU  49           HA       LEU  49  16.513   4.577   2.665
  345   1HB   LEU  49           HB2      LEU  49  14.138   3.794   0.987
  346   2HB   LEU  49           HB1      LEU  49  15.685   2.978   0.758
  347    HG   LEU  49           HG       LEU  49  14.288   1.763   2.389
  348   1HD1  LEU  49          HD12      LEU  49  16.891   2.164   2.600
  349   2HD1  LEU  49          HD11      LEU  49  16.427   3.082   4.033
  350   3HD1  LEU  49          HD13      LEU  49  16.011   1.374   3.908
  351   1HD2  LEU  49          HD21      LEU  49  13.093   3.874   3.158
  352   2HD2  LEU  49          HD23      LEU  49  13.584   2.779   4.452
  353   3HD2  LEU  49          HD22      LEU  49  14.523   4.236   4.126
  354    H    GLY  50           HN       GLY  50  15.012   6.541   0.206
  355   1HA   GLY  50           HA2      GLY  50  17.642   6.981  -1.049
  356   2HA   GLY  50           HA1      GLY  50  16.382   6.327  -2.104
  357    H    GLN  51           HN       GLN  51  15.033   7.800  -3.051
  358    HA   GLN  51           HA       GLN  51  13.907  10.001  -1.753
  359   1HB   GLN  51           HB2      GLN  51  16.470  10.668  -1.973
  360   2HB   GLN  51           HB1      GLN  51  15.921  11.208  -3.565
  361   1HG   GLN  51           HG2      GLN  51  14.185  12.557  -2.599
  362   2HG   GLN  51           HG1      GLN  51  14.482  11.886  -0.995
  363   1HE2  GLN  51          HE22      GLN  51  16.246  15.160  -1.102
  364   2HE2  GLN  51          HE21      GLN  51  14.632  14.638  -1.173
  365    H    ASN  52           HN       ASN  52  14.728   8.401  -4.689
  366    HA   ASN  52           HA       ASN  52  13.643   9.910  -6.688
  367   1HB   ASN  52           HB2      ASN  52  13.158   6.971  -6.181
  368   2HB   ASN  52           HB1      ASN  52  12.805   7.784  -7.707
  369   1HD2  ASN  52          HD22      ASN  52  16.472   8.566  -8.019
  370   2HD2  ASN  52          HD21      ASN  52  15.079   9.520  -7.835
  371    HA   PRO  53           HA       PRO  53   9.190   8.727  -5.399
  372   1HB   PRO  53           HB2      PRO  53   8.889   8.194  -2.718
  373   2HB   PRO  53           HB1      PRO  53   9.039   6.967  -3.984
  374   1HG   PRO  53           HG2      PRO  53  11.069   7.911  -2.013
  375   2HG   PRO  53           HG1      PRO  53  10.860   6.302  -2.728
  376   1HD   PRO  53           HD2      PRO  53  12.775   8.088  -3.525
  377   2HD   PRO  53           HD1      PRO  53  12.143   6.814  -4.572
  378    H    THR  54           HN       THR  54   9.324  11.039  -5.781
  379    HA   THR  54           HA       THR  54   9.639  12.909  -3.562
  380    HB   THR  54           HB       THR  54   8.462  13.351  -6.319
  381    HG1  THR  54           HG1      THR  54  10.430  13.328  -7.028
  382   1HG2  THR  54          HG22      THR  54   9.235  15.104  -4.046
  383   2HG2  THR  54          HG21      THR  54   9.618  15.677  -5.670
  384   3HG2  THR  54          HG23      THR  54   7.950  15.303  -5.239
  385    H    LYS  55           HN       LYS  55   7.768  14.478  -3.084
  386    HA   LYS  55           HA       LYS  55   5.477  13.018  -2.211
  387   1HB   LYS  55           HB2      LYS  55   6.131  15.158  -1.184
  388   2HB   LYS  55           HB1      LYS  55   5.776  15.997  -2.694
  389   1HG   LYS  55           HG2      LYS  55   3.415  15.005  -2.498
  390   2HG   LYS  55           HG1      LYS  55   3.842  14.613  -0.832
  391   1HD   LYS  55           HD2      LYS  55   4.665  17.219  -1.000
  392   2HD   LYS  55           HD1      LYS  55   3.251  17.230  -2.056
  393   1HE   LYS  55           HE2      LYS  55   1.894  17.206  -0.264
  394   2HE   LYS  55           HE1      LYS  55   2.619  15.690   0.274
  395   1HZ   LYS  55           HZ2      LYS  55   4.053  18.215   0.723
  396   2HZ   LYS  55           HZ1      LYS  55   2.770  17.795   1.755
  397   3HZ   LYS  55           HZ3      LYS  55   4.113  16.769   1.613
  398    H    GLU  56           HN       GLU  56   6.137  14.890  -5.125
  399    HA   GLU  56           HA       GLU  56   3.385  14.541  -6.090
  400   1HB   GLU  56           HB2      GLU  56   5.116  16.512  -6.567
  401   2HB   GLU  56           HB1      GLU  56   5.607  15.443  -7.881
  402   1HG   GLU  56           HG2      GLU  56   3.909  16.456  -9.014
  403   2HG   GLU  56           HG1      GLU  56   2.893  15.326  -8.119
  404    H    GLU  57           HN       GLU  57   6.395  12.894  -6.185
  405    HA   GLU  57           HA       GLU  57   6.043  11.475  -8.661
  406   1HB   GLU  57           HB2      GLU  57   8.193  11.694  -7.291
  407   2HB   GLU  57           HB1      GLU  57   7.527  10.445  -6.238
  408   1HG   GLU  57           HG2      GLU  57   7.526   9.945  -9.187
  409   2HG   GLU  57           HG1      GLU  57   9.057   9.808  -8.322
  410    H    LEU  58           HN       LEU  58   4.978  10.934  -5.341
  411    HA   LEU  58           HA       LEU  58   4.025   8.240  -5.781
  412   1HB   LEU  58           HB2      LEU  58   3.501  10.327  -3.665
  413   2HB   LEU  58           HB1      LEU  58   2.626   8.798  -3.677
  414    HG   LEU  58           HG       LEU  58   4.509   8.468  -2.243
  415   1HD1  LEU  58          HD13      LEU  58   4.035   6.727  -4.073
  416   2HD1  LEU  58          HD12      LEU  58   5.460   7.369  -4.890
  417   3HD1  LEU  58          HD11      LEU  58   5.612   6.647  -3.288
  418   1HD2  LEU  58          HD23      LEU  58   6.175   9.647  -4.490
  419   2HD2  LEU  58          HD22      LEU  58   5.827  10.412  -2.939
  420   3HD2  LEU  58          HD21      LEU  58   6.825   8.960  -3.002
  421    H    ASP  59           HN       ASP  59   2.786  11.389  -6.503
  422    HA   ASP  59           HA       ASP  59   0.000  10.904  -6.503
  423   1HB   ASP  59           HB2      ASP  59   1.025  13.126  -6.924
  424   2HB   ASP  59           HB1      ASP  59   1.570  12.557  -8.502
  425    H    ALA  60           HN       ALA  60   2.482   9.780  -8.704
  426    HA   ALA  60           HA       ALA  60   0.724   9.077 -10.879
  427   1HB   ALA  60           HB3      ALA  60   3.477   9.032 -10.438
  428   2HB   ALA  60           HB2      ALA  60   3.045   7.329 -10.595
  429   3HB   ALA  60           HB1      ALA  60   2.650   8.462 -11.887
  430    H    ILE  61           HN       ILE  61   2.279   6.986  -8.412
  431    HA   ILE  61           HA       ILE  61   0.673   4.692  -9.066
  432    HB   ILE  61           HB       ILE  61   1.647   5.029  -6.265
  433   1HG1  ILE  61          HG12      ILE  61   3.932   4.218  -7.544
  434   2HG1  ILE  61          HG11      ILE  61   3.316   5.442  -8.659
  435   1HG2  ILE  61          HG21      ILE  61   0.844   2.928  -7.922
  436   2HG2  ILE  61          HG23      ILE  61   2.596   2.761  -7.810
  437   3HG2  ILE  61          HG22      ILE  61   1.618   2.785  -6.343
  438   1HD1  ILE  61          HD12      ILE  61   3.086   6.238  -5.853
  439   2HD1  ILE  61          HD11      ILE  61   4.755   5.962  -6.354
  440   3HD1  ILE  61          HD13      ILE  61   3.753   7.126  -7.224
  441    H    ILE  62           HN       ILE  62  -0.047   7.603  -7.459
  442    HA   ILE  62           HA       ILE  62  -2.186   6.460  -5.801
  443    HB   ILE  62           HB       ILE  62  -1.279   9.298  -6.342
  444   1HG1  ILE  62          HG12      ILE  62   0.122   7.776  -4.891
  445   2HG1  ILE  62          HG11      ILE  62  -0.480   9.211  -4.062
  446   1HG2  ILE  62          HG22      ILE  62  -3.799   9.010  -5.927
  447   2HG2  ILE  62          HG21      ILE  62  -3.357   8.461  -4.312
  448   3HG2  ILE  62          HG23      ILE  62  -2.940  10.092  -4.834
  449   1HD1  ILE  62          HD13      ILE  62  -1.753   6.460  -3.953
  450   2HD1  ILE  62          HD12      ILE  62  -0.781   7.188  -2.675
  451   3HD1  ILE  62          HD11      ILE  62  -2.335   7.897  -3.112
  452    H    GLU  63           HN       GLU  63  -1.790   7.841  -8.963
  453    HA   GLU  63           HA       GLU  63  -4.640   8.460  -9.294
  454   1HB   GLU  63           HB2      GLU  63  -3.151   9.854 -10.537
  455   2HB   GLU  63           HB1      GLU  63  -2.263   8.466 -11.165
  456   1HG   GLU  63           HG2      GLU  63  -4.237   7.757 -12.446
  457   2HG   GLU  63           HG1      GLU  63  -5.160   9.112 -11.793
  458    H    GLU  64           HN       GLU  64  -2.691   5.666  -9.509
  459    HA   GLU  64           HA       GLU  64  -4.360   4.356 -11.550
  460   1HB   GLU  64           HB2      GLU  64  -2.928   2.361 -11.019
  461   2HB   GLU  64           HB1      GLU  64  -2.004   3.781 -11.512
  462   1HG   GLU  64           HG2      GLU  64  -1.440   4.300  -9.228
  463   2HG   GLU  64           HG1      GLU  64  -2.545   3.068  -8.618
  464    H    VAL  65           HN       VAL  65  -3.983   4.322  -8.025
  465    HA   VAL  65           HA       VAL  65  -6.353   2.496  -7.919
  466    HB   VAL  65           HB       VAL  65  -5.491   1.772  -5.692
  467   1HG1  VAL  65          HG13      VAL  65  -4.632   1.021  -8.229
  468   2HG1  VAL  65          HG12      VAL  65  -3.131   1.227  -7.328
  469   3HG1  VAL  65          HG11      VAL  65  -4.368   0.115  -6.739
  470   1HG2  VAL  65          HG22      VAL  65  -4.161   3.902  -5.332
  471   2HG2  VAL  65          HG21      VAL  65  -3.282   2.417  -4.969
  472   3HG2  VAL  65          HG23      VAL  65  -2.978   3.274  -6.480
  473    H    ASP  66           HN       ASP  66  -4.760   5.313  -6.451
  474    HA   ASP  66           HA       ASP  66  -7.121   5.824  -4.758
  475   1HB   ASP  66           HB2      ASP  66  -4.435   7.154  -5.093
  476   2HB   ASP  66           HB1      ASP  66  -5.733   7.934  -4.187
  477    H    GLU  67           HN       GLU  67  -7.122   5.981  -7.816
  478    HA   GLU  67           HA       GLU  67  -7.392   8.741  -8.561
  479   1HB   GLU  67           HB2      GLU  67  -7.155   6.689 -10.099
  480   2HB   GLU  67           HB1      GLU  67  -8.886   6.454  -9.853
  481   1HG   GLU  67           HG2      GLU  67  -9.434   8.507 -10.881
  482   2HG   GLU  67           HG1      GLU  67  -7.789   9.125 -10.722
  483    H    ASP  68           HN       ASP  68  -9.464   6.553  -6.852
  484    HA   ASP  68           HA       ASP  68 -12.037   7.453  -7.375
  485   1HB   ASP  68           HB2      ASP  68 -10.879   6.970  -4.613
  486   2HB   ASP  68           HB1      ASP  68 -12.588   6.919  -5.045
  487    H    GLY  69           HN       GLY  69  -9.727   8.974  -5.101
  488   1HA   GLY  69           HA2      GLY  69  -9.774  11.564  -5.521
  489   2HA   GLY  69           HA1      GLY  69 -11.472  11.389  -5.075
  490    H    SER  70           HN       SER  70  -8.526   9.883  -3.716
  491    HA   SER  70           HA       SER  70  -9.201  11.191  -1.117
  492   1HB   SER  70           HB2      SER  70  -9.864   9.064  -0.539
  493   2HB   SER  70           HB1      SER  70  -8.845   8.305  -1.758
  494    HG   SER  70           HG       SER  70  -8.347   8.771   0.847
  495    H    GLY  71           HN       GLY  71  -6.718   9.693  -3.160
  496   1HA   GLY  71           HA2      GLY  71  -4.439  10.272  -3.349
  497   2HA   GLY  71           HA1      GLY  71  -4.735  11.605  -2.233
  498    H    THR  72           HN       THR  72  -5.881   8.657  -1.018
  499    HA   THR  72           HA       THR  72  -3.324   7.946   0.286
  500    HB   THR  72           HB       THR  72  -3.809   8.814   2.311
  501    HG1  THR  72           HG1      THR  72  -6.089   8.324   3.114
  502   1HG2  THR  72          HG22      THR  72  -4.809  10.644   0.965
  503   2HG2  THR  72          HG21      THR  72  -6.373   9.837   1.059
  504   3HG2  THR  72          HG23      THR  72  -5.612  10.456   2.524
  505    H    ILE  73           HN       ILE  73  -3.894   5.985   1.884
  506    HA   ILE  73           HA       ILE  73  -6.158   4.363   0.964
  507    HB   ILE  73           HB       ILE  73  -3.823   2.692   0.682
  508   1HG1  ILE  73          HG12      ILE  73  -3.920   4.855  -1.416
  509   2HG1  ILE  73          HG11      ILE  73  -2.900   5.041   0.009
  510   1HG2  ILE  73          HG22      ILE  73  -6.218   2.461  -0.213
  511   2HG2  ILE  73          HG21      ILE  73  -5.729   3.581  -1.484
  512   3HG2  ILE  73          HG23      ILE  73  -4.913   2.026  -1.316
  513   1HD1  ILE  73          HD13      ILE  73  -2.179   2.553  -0.655
  514   2HD1  ILE  73          HD12      ILE  73  -2.655   3.119  -2.256
  515   3HD1  ILE  73          HD11      ILE  73  -1.394   3.966  -1.361
  516    H    ASP  74           HN       ASP  74  -6.277   2.307   2.210
  517    HA   ASP  74           HA       ASP  74  -5.145   2.707   4.925
  518   1HB   ASP  74           HB2      ASP  74  -7.542   1.428   3.789
  519   2HB   ASP  74           HB1      ASP  74  -6.765   0.476   5.053
  520    H    PHE  75           HN       PHE  75  -5.111   0.026   5.790
  521    HA   PHE  75           HA       PHE  75  -2.683  -0.899   4.391
  522   1HB   PHE  75           HB2      PHE  75  -2.099  -1.904   6.360
  523   2HB   PHE  75           HB1      PHE  75  -3.293  -0.805   7.039
  524    HD1  PHE  75           HD2      PHE  75  -5.817  -1.728   6.895
  525    HD2  PHE  75           HD1      PHE  75  -2.276  -4.162   6.886
  526    HE1  PHE  75           HE2      PHE  75  -7.148  -3.670   7.674
  527    HE2  PHE  75           HE1      PHE  75  -3.609  -6.104   7.664
  528    HZ   PHE  75           HZ       PHE  75  -6.045  -5.857   8.058
  529    H    GLU  76           HN       GLU  76  -5.962  -1.394   4.082
  530    HA   GLU  76           HA       GLU  76  -5.811  -4.266   3.452
  531   1HB   GLU  76           HB2      GLU  76  -8.139  -2.440   2.857
  532   2HB   GLU  76           HB1      GLU  76  -8.161  -4.173   3.183
  533   1HG   GLU  76           HG2      GLU  76  -7.402  -3.722   5.509
  534   2HG   GLU  76           HG1      GLU  76  -7.475  -1.991   5.174
  535    H    GLU  77           HN       GLU  77  -7.032  -1.469   1.565
  536    HA   GLU  77           HA       GLU  77  -6.810  -2.716  -0.963
  537   1HB   GLU  77           HB2      GLU  77  -6.678   0.191  -0.140
  538   2HB   GLU  77           HB1      GLU  77  -6.633  -0.312  -1.829
  539   1HG   GLU  77           HG2      GLU  77  -8.764  -1.698  -1.207
  540   2HG   GLU  77           HG1      GLU  77  -8.869  -0.590   0.160
  541    H    PHE  78           HN       PHE  78  -4.497  -0.413   0.527
  542    HA   PHE  78           HA       PHE  78  -2.479  -0.509  -1.393
  543   1HB   PHE  78           HB2      PHE  78  -2.235   0.953   0.501
  544   2HB   PHE  78           HB1      PHE  78  -2.266  -0.403   1.627
  545    HD1  PHE  78           HD2      PHE  78  -0.482  -0.523  -1.605
  546    HD2  PHE  78           HD1      PHE  78  -0.105   0.071   2.633
  547    HE1  PHE  78           HE2      PHE  78   1.981  -0.743  -1.793
  548    HE2  PHE  78           HE1      PHE  78   2.357  -0.148   2.444
  549    HZ   PHE  78           HZ       PHE  78   3.400  -0.555   0.231
  550    H    LEU  79           HN       LEU  79  -3.363  -2.962   0.964
  551    HA   LEU  79           HA       LEU  79  -1.047  -4.601   0.817
  552   1HB   LEU  79           HB2      LEU  79  -3.346  -4.767   2.204
  553   2HB   LEU  79           HB1      LEU  79  -3.708  -5.933   0.931
  554    HG   LEU  79           HG       LEU  79  -1.341  -6.887   1.450
  555   1HD1  LEU  79          HD13      LEU  79  -0.722  -4.949   2.918
  556   2HD1  LEU  79          HD12      LEU  79  -1.955  -5.477   4.065
  557   3HD1  LEU  79          HD11      LEU  79  -0.566  -6.509   3.725
  558   1HD2  LEU  79          HD21      LEU  79  -3.796  -7.698   2.106
  559   2HD2  LEU  79          HD23      LEU  79  -2.367  -8.506   2.750
  560   3HD2  LEU  79          HD22      LEU  79  -3.226  -7.321   3.733
  561    H    VAL  80           HN       VAL  80  -4.024  -4.667  -1.162
  562    HA   VAL  80           HA       VAL  80  -3.261  -6.828  -2.839
  563    HB   VAL  80           HB       VAL  80  -5.538  -5.618  -2.669
  564   1HG1  VAL  80          HG12      VAL  80  -4.049  -3.476  -3.602
  565   2HG1  VAL  80          HG11      VAL  80  -4.884  -4.038  -5.050
  566   3HG1  VAL  80          HG13      VAL  80  -5.810  -3.582  -3.619
  567   1HG2  VAL  80          HG22      VAL  80  -4.194  -6.881  -4.960
  568   2HG2  VAL  80          HG21      VAL  80  -5.774  -7.224  -4.256
  569   3HG2  VAL  80          HG23      VAL  80  -5.593  -5.906  -5.413
  570    H    MET  81           HN       MET  81  -2.178  -3.526  -2.747
  571    HA   MET  81           HA       MET  81  -1.071  -3.574  -5.460
  572   1HB   MET  81           HB2      MET  81  -1.838  -1.464  -4.338
  573   2HB   MET  81           HB1      MET  81  -0.496  -1.631  -3.206
  574   1HG   MET  81           HG2      MET  81   1.126  -1.415  -4.960
  575   2HG   MET  81           HG1      MET  81  -0.113  -1.563  -6.206
  576   1HE   MET  81           HE1      MET  81   0.925   0.057  -3.112
  577   2HE   MET  81           HE3      MET  81   0.792   1.807  -3.335
  578   3HE   MET  81           HE2      MET  81  -0.618   0.868  -2.849
  579    H    MET  82           HN       MET  82   0.035  -4.247  -2.196
  580    HA   MET  82           HA       MET  82   2.857  -4.201  -2.782
  581   1HB   MET  82           HB2      MET  82   1.149  -4.872  -0.537
  582   2HB   MET  82           HB1      MET  82   2.427  -6.073  -0.725
  583   1HG   MET  82           HG2      MET  82   3.940  -3.917  -1.061
  584   2HG   MET  82           HG1      MET  82   2.648  -3.144  -0.143
  585   1HE   MET  82           HE3      MET  82   5.363  -5.813  -0.328
  586   2HE   MET  82           HE2      MET  82   5.247  -6.691   1.195
  587   3HE   MET  82           HE1      MET  82   3.967  -6.851  -0.004
  588    H    VAL  83           HN       VAL  83   0.354  -6.692  -2.980
  589    HA   VAL  83           HA       VAL  83   2.203  -8.856  -3.533
  590    HB   VAL  83           HB       VAL  83  -0.776  -8.558  -4.011
  591   1HG1  VAL  83          HG12      VAL  83   1.061 -10.469  -5.080
  592   2HG1  VAL  83          HG11      VAL  83   0.078 -11.281  -3.862
  593   3HG1  VAL  83          HG13      VAL  83  -0.697 -10.456  -5.215
  594   1HG2  VAL  83          HG21      VAL  83   0.949  -9.757  -1.844
  595   2HG2  VAL  83          HG23      VAL  83  -0.396  -8.628  -1.681
  596   3HG2  VAL  83          HG22      VAL  83  -0.705 -10.314  -2.095
  597    H    ARG  84           HN       ARG  84  -0.232  -7.340  -5.685
  598    HA   ARG  84           HA       ARG  84   0.580  -8.357  -8.116
  599   1HB   ARG  84           HB2      ARG  84  -1.306  -6.770  -7.838
  600   2HB   ARG  84           HB1      ARG  84  -0.151  -5.455  -7.612
  601   1HG   ARG  84           HG2      ARG  84   0.602  -6.848  -9.979
  602   2HG   ARG  84           HG1      ARG  84  -1.134  -6.550 -10.072
  603   1HD   ARG  84           HD2      ARG  84  -0.863  -4.210  -9.859
  604   2HD   ARG  84           HD1      ARG  84   0.783  -4.371  -9.248
  605    HE   ARG  84           HE       ARG  84   1.510  -4.917 -11.524
  606   1HH1  ARG  84          HH11      ARG  84  -1.081  -5.995 -12.579
  607   2HH1  ARG  84          HH12      ARG  84  -1.621  -4.705 -13.602
  608   1HH2  ARG  84          HH21      ARG  84   0.524  -2.357 -12.220
  609   2HH2  ARG  84          HH22      ARG  84  -0.713  -2.646 -13.397
  610    H    GLN  85           HN       GLN  85   2.020  -5.517  -6.494
  611    HA   GLN  85           HA       GLN  85   4.153  -5.403  -8.527
  612   1HB   GLN  85           HB2      GLN  85   3.177  -3.673  -6.334
  613   2HB   GLN  85           HB1      GLN  85   4.921  -3.639  -6.595
  614   1HG   GLN  85           HG2      GLN  85   4.712  -2.840  -8.782
  615   2HG   GLN  85           HG1      GLN  85   3.056  -3.426  -8.944
  616   1HE2  GLN  85          HE22      GLN  85   3.371   0.360  -8.121
  617   2HE2  GLN  85          HE21      GLN  85   4.383  -0.588  -9.100
  618    H    MET  86           HN       MET  86   4.321  -7.850  -7.382
  619    HA   MET  86           HA       MET  86   6.048  -7.860  -5.034
  620   1HB   MET  86           HB2      MET  86   4.879  -9.888  -6.871
  621   2HB   MET  86           HB1      MET  86   6.372 -10.340  -6.047
  622   1HG   MET  86           HG2      MET  86   4.624  -9.033  -4.176
  623   2HG   MET  86           HG1      MET  86   3.742 -10.332  -4.980
  624   1HE   MET  86           HE3      MET  86   4.603  -9.723  -2.102
  625   2HE   MET  86           HE2      MET  86   5.596 -10.962  -1.339
  626   3HE   MET  86           HE1      MET  86   6.365  -9.578  -2.110
  627    H    LYS  87           HN       LYS  87   6.539  -8.495  -8.518
  628    HA   LYS  87           HA       LYS  87   9.390  -8.868  -8.262
  629   1HB   LYS  87           HB2      LYS  87   9.432  -8.755 -10.690
  630   2HB   LYS  87           HB1      LYS  87   8.016  -9.686 -10.200
  631   1HG   LYS  87           HG2      LYS  87   6.864  -8.271 -11.549
  632   2HG   LYS  87           HG1      LYS  87   7.025  -7.122 -10.221
  633   1HD   LYS  87           HD2      LYS  87   8.204  -5.779 -11.587
  634   2HD   LYS  87           HD1      LYS  87   9.461  -7.015 -11.657
  635   1HE   LYS  87           HE2      LYS  87   7.916  -8.133 -13.442
  636   2HE   LYS  87           HE1      LYS  87   7.180  -6.534 -13.560
  637   1HZ   LYS  87           HZ1      LYS  87  10.108  -6.866 -13.704
  638   2HZ   LYS  87           HZ3      LYS  87   9.143  -7.087 -15.082
  639   3HZ   LYS  87           HZ2      LYS  87   9.149  -5.588 -14.282
  640    H    GLU  88           HN       GLU  88   7.316  -6.072  -8.649
  641    HA   GLU  88           HA       GLU  88   9.327  -4.224  -9.537
  642   1HB   GLU  88           HB2      GLU  88   6.609  -4.038  -8.337
  643   2HB   GLU  88           HB1      GLU  88   7.637  -2.612  -8.198
  644   1HG   GLU  88           HG2      GLU  88   8.097  -3.117 -10.766
  645   2HG   GLU  88           HG1      GLU  88   6.528  -3.917 -10.650
  646    H    ASP  89           HN       ASP  89   8.664  -5.686  -6.479
  647    HA   ASP  89           HA       ASP  89   9.975  -5.600  -4.514
  648   1HB   ASP  89           HB2      ASP  89  11.770  -4.749  -6.299
  649   2HB   ASP  89           HB1      ASP  89  11.500  -3.215  -5.473
  650    H    ALA  90           HN       ALA  90   7.724  -3.606  -5.550
  651    HA   ALA  90           HA       ALA  90   8.048  -1.262  -3.888
  652   1HB   ALA  90           HB2      ALA  90   5.727  -2.519  -5.341
  653   2HB   ALA  90           HB1      ALA  90   5.472  -1.152  -4.256
  654   3HB   ALA  90           HB3      ALA  90   6.524  -0.979  -5.660
   
  No H/Q in entry =         654
  Start of MODEL    4
    1   1H    ALA   1           HT2      ALA   1 -12.241  -3.798 -11.063
    2   2H    ALA   1           HT1      ALA   1 -11.691  -5.393 -11.269
    3   3H    ALA   1           HT3      ALA   1 -13.030  -4.839 -12.149
    4    HA   ALA   1           HA       ALA   1 -14.465  -5.124 -10.462
    5   1HB   ALA   1           HB1      ALA   1 -12.449  -7.099 -10.541
    6   2HB   ALA   1           HB3      ALA   1 -12.751  -6.786  -8.831
    7   3HB   ALA   1           HB2      ALA   1 -14.078  -7.267  -9.887
    8    H    SER   2           HN       SER   2 -15.115  -4.435  -8.400
    9    HA   SER   2           HA       SER   2 -13.791  -2.269  -7.200
   10   1HB   SER   2           HB2      SER   2 -15.205  -2.811  -5.169
   11   2HB   SER   2           HB1      SER   2 -16.105  -2.678  -6.678
   12    HG   SER   2           HG       SER   2 -15.646  -4.853  -5.056
   13    H    MET   3           HN       MET   3 -13.256  -2.521  -4.626
   14    HA   MET   3           HA       MET   3 -10.882  -4.280  -4.583
   15   1HB   MET   3           HB2      MET   3 -11.639  -2.590  -2.239
   16   2HB   MET   3           HB1      MET   3 -10.048  -2.898  -2.930
   17   1HG   MET   3           HG2      MET   3 -10.746  -1.515  -4.928
   18   2HG   MET   3           HG1      MET   3 -12.199  -1.074  -4.033
   19   1HE   MET   3           HE3      MET   3 -11.101   1.179  -4.911
   20   2HE   MET   3           HE2      MET   3  -9.826   2.052  -4.067
   21   3HE   MET   3           HE1      MET   3  -9.406   0.737  -5.161
   22    H    THR   4           HN       THR   4 -13.805  -5.193  -4.278
   23    HA   THR   4           HA       THR   4 -13.948  -6.166  -1.527
   24    HB   THR   4           HB       THR   4 -15.592  -6.660  -4.014
   25    HG1  THR   4           HG1      THR   4 -17.063  -5.452  -2.910
   26   1HG2  THR   4          HG23      THR   4 -15.330  -8.344  -1.689
   27   2HG2  THR   4          HG22      THR   4 -16.949  -7.645  -1.743
   28   3HG2  THR   4          HG21      THR   4 -16.343  -8.575  -3.113
   29    H    ASP   5           HN       ASP   5 -14.637  -8.440  -4.090
   30    HA   ASP   5           HA       ASP   5 -13.261 -10.590  -2.919
   31   1HB   ASP   5           HB2      ASP   5 -13.686 -10.127  -5.889
   32   2HB   ASP   5           HB1      ASP   5 -13.382 -11.682  -5.113
   33    H    GLN   6           HN       GLN   6 -12.021  -7.904  -4.714
   34    HA   GLN   6           HA       GLN   6  -9.540  -9.042  -5.590
   35   1HB   GLN   6           HB2      GLN   6 -10.608  -6.779  -6.233
   36   2HB   GLN   6           HB1      GLN   6  -9.894  -6.166  -4.741
   37   1HG   GLN   6           HG2      GLN   6  -7.823  -6.112  -5.640
   38   2HG   GLN   6           HG1      GLN   6  -7.992  -7.736  -6.309
   39   1HE2  GLN   6          HE22      GLN   6  -9.014  -4.501  -8.623
   40   2HE2  GLN   6          HE21      GLN   6  -8.891  -4.318  -6.940
   41    H    GLN   7           HN       GLN   7 -10.388  -7.182  -2.660
   42    HA   GLN   7           HA       GLN   7  -7.763  -7.433  -1.482
   43   1HB   GLN   7           HB2      GLN   7  -9.074  -5.641  -0.664
   44   2HB   GLN   7           HB1      GLN   7 -10.487  -6.669  -0.427
   45   1HG   GLN   7           HG2      GLN   7  -8.022  -7.392   1.087
   46   2HG   GLN   7           HG1      GLN   7  -8.890  -5.948   1.611
   47   1HE2  GLN   7          HE22      GLN   7 -11.969  -8.022   2.091
   48   2HE2  GLN   7          HE21      GLN   7 -11.562  -6.690   1.121
   49    H    ALA   8           HN       ALA   8 -10.468  -9.558  -1.739
   50    HA   ALA   8           HA       ALA   8  -9.878 -11.149   0.622
   51   1HB   ALA   8           HB3      ALA   8 -12.031 -10.986  -1.029
   52   2HB   ALA   8           HB2      ALA   8 -11.255 -12.434  -1.670
   53   3HB   ALA   8           HB1      ALA   8 -11.724 -12.363   0.029
   54    H    GLU   9           HN       GLU   9  -9.340 -11.650  -2.882
   55    HA   GLU   9           HA       GLU   9  -7.810 -14.056  -2.542
   56   1HB   GLU   9           HB2      GLU   9  -8.839 -12.660  -4.694
   57   2HB   GLU   9           HB1      GLU   9  -7.100 -12.421  -4.876
   58   1HG   GLU   9           HG2      GLU   9  -7.898 -15.172  -4.163
   59   2HG   GLU   9           HG1      GLU   9  -8.437 -14.635  -5.754
   60    H    ALA  10           HN       ALA  10  -6.898 -10.635  -2.805
   61    HA   ALA  10           HA       ALA  10  -4.081 -10.999  -2.910
   62   1HB   ALA  10           HB1      ALA  10  -5.665  -8.739  -1.651
   63   2HB   ALA  10           HB3      ALA  10  -3.950  -8.676  -2.059
   64   3HB   ALA  10           HB2      ALA  10  -5.157  -8.827  -3.337
   65    H    ARG  11           HN       ARG  11  -6.031 -10.130  -0.024
   66    HA   ARG  11           HA       ARG  11  -3.974 -10.508   1.872
   67   1HB   ARG  11           HB2      ARG  11  -6.966 -10.916   2.134
   68   2HB   ARG  11           HB1      ARG  11  -5.855 -10.912   3.504
   69   1HG   ARG  11           HG2      ARG  11  -5.190  -8.615   2.041
   70   2HG   ARG  11           HG1      ARG  11  -6.953  -8.659   2.034
   71   1HD   ARG  11           HD2      ARG  11  -6.338  -7.480   4.021
   72   2HD   ARG  11           HD1      ARG  11  -6.823  -9.092   4.545
   73    HE   ARG  11           HE       ARG  11  -3.961  -8.270   4.236
   74   1HH1  ARG  11          HH11      ARG  11  -4.267 -11.159   4.504
   75   2HH1  ARG  11          HH12      ARG  11  -4.252 -11.415   6.217
   76   1HH2  ARG  11          HH21      ARG  11  -4.913  -8.096   6.985
   77   2HH2  ARG  11          HH22      ARG  11  -4.612  -9.679   7.622
   78    H    ALA  12           HN       ALA  12  -5.987 -12.864   0.225
   79    HA   ALA  12           HA       ALA  12  -5.663 -15.099   1.909
   80   1HB   ALA  12           HB3      ALA  12  -6.260 -14.649  -0.930
   81   2HB   ALA  12           HB2      ALA  12  -5.450 -16.184  -0.621
   82   3HB   ALA  12           HB1      ALA  12  -6.967 -15.807   0.196
   83    H    PHE  13           HN       PHE  13  -3.575 -14.196  -0.866
   84    HA   PHE  13           HA       PHE  13  -1.548 -16.136  -0.162
   85   1HB   PHE  13           HB2      PHE  13  -1.616 -15.451  -2.448
   86   2HB   PHE  13           HB1      PHE  13  -1.578 -13.742  -2.012
   87    HD1  PHE  13           HD1      PHE  13   0.462 -16.727  -0.989
   88    HD2  PHE  13           HD2      PHE  13   0.438 -12.764  -2.644
   89    HE1  PHE  13           HE1      PHE  13   2.940 -16.750  -1.079
   90    HE2  PHE  13           HE2      PHE  13   2.916 -12.787  -2.736
   91    HZ   PHE  13           HZ       PHE  13   4.167 -14.779  -1.953
   92    H    LEU  14           HN       LEU  14  -2.187 -12.809   0.732
   93    HA   LEU  14           HA       LEU  14   0.483 -12.473   1.934
   94   1HB   LEU  14           HB2      LEU  14  -1.951 -10.674   2.136
   95   2HB   LEU  14           HB1      LEU  14  -0.289 -10.246   2.542
   96    HG   LEU  14           HG       LEU  14  -0.900 -11.268  -0.213
   97   1HD1  LEU  14          HD11      LEU  14  -2.057  -8.896   0.956
   98   2HD1  LEU  14          HD13      LEU  14  -0.907  -8.440  -0.301
   99   3HD1  LEU  14          HD12      LEU  14  -2.246  -9.524  -0.681
  100   1HD2  LEU  14          HD23      LEU  14   1.421 -10.662   0.929
  101   2HD2  LEU  14          HD22      LEU  14   1.115 -10.251  -0.759
  102   3HD2  LEU  14          HD21      LEU  14   0.952  -9.019   0.493
  103    H    SER  15           HN       SER  15   0.208 -14.359   3.409
  104    HA   SER  15           HA       SER  15  -1.798 -14.619   5.367
  105   1HB   SER  15           HB2      SER  15   1.112 -15.373   5.295
  106   2HB   SER  15           HB1      SER  15   0.183 -15.608   6.772
  107    HG   SER  15           HG       SER  15  -0.908 -16.459   4.340
  108    H    GLU  16           HN       GLU  16  -1.356 -14.220   7.817
  109    HA   GLU  16           HA       GLU  16  -0.941 -11.348   8.144
  110   1HB   GLU  16           HB2      GLU  16  -2.578 -12.979   9.420
  111   2HB   GLU  16           HB1      GLU  16  -1.180 -13.233  10.466
  112   1HG   GLU  16           HG2      GLU  16  -1.207 -10.489  10.165
  113   2HG   GLU  16           HG1      GLU  16  -2.925 -10.884  10.222
  114    H    GLU  17           HN       GLU  17   1.243 -13.735   7.770
  115    HA   GLU  17           HA       GLU  17   3.044 -13.058   9.988
  116   1HB   GLU  17           HB2      GLU  17   2.875 -15.113   7.943
  117   2HB   GLU  17           HB1      GLU  17   4.499 -14.428   8.013
  118   1HG   GLU  17           HG2      GLU  17   4.200 -14.685  10.609
  119   2HG   GLU  17           HG1      GLU  17   2.953 -15.850  10.162
  120    H    MET  18           HN       MET  18   2.984 -12.554   6.454
  121    HA   MET  18           HA       MET  18   5.415 -11.029   6.378
  122   1HB   MET  18           HB2      MET  18   4.297 -10.123   4.182
  123   2HB   MET  18           HB1      MET  18   4.781 -11.816   4.275
  124   1HG   MET  18           HG2      MET  18   2.078 -11.329   5.310
  125   2HG   MET  18           HG1      MET  18   2.255 -10.921   3.605
  126   1HE   MET  18           HE2      MET  18   4.093 -12.397   2.314
  127   2HE   MET  18           HE1      MET  18   3.642 -14.069   1.988
  128   3HE   MET  18           HE3      MET  18   2.498 -12.760   1.658
  129    H    ILE  19           HN       ILE  19   1.989 -10.022   6.591
  130    HA   ILE  19           HA       ILE  19   2.628  -7.198   6.627
  131    HB   ILE  19           HB       ILE  19   0.147  -8.574   7.696
  132   1HG1  ILE  19          HG12      ILE  19  -0.469  -7.540   5.217
  133   2HG1  ILE  19          HG11      ILE  19   1.164  -8.160   4.966
  134   1HG2  ILE  19          HG23      ILE  19   0.985  -5.771   7.218
  135   2HG2  ILE  19          HG22      ILE  19  -0.632  -6.188   6.653
  136   3HG2  ILE  19          HG21      ILE  19  -0.206  -6.414   8.350
  137   1HD1  ILE  19          HD11      ILE  19  -0.530  -9.977   6.523
  138   2HD1  ILE  19          HD13      ILE  19  -1.145  -9.679   4.897
  139   3HD1  ILE  19          HD12      ILE  19   0.487 -10.312   5.120
  140    H    ALA  20           HN       ALA  20   2.369  -9.713   9.053
  141    HA   ALA  20           HA       ALA  20   2.069  -8.179  11.392
  142   1HB   ALA  20           HB1      ALA  20   3.079 -10.829  10.696
  143   2HB   ALA  20           HB3      ALA  20   3.927 -10.139  12.079
  144   3HB   ALA  20           HB2      ALA  20   2.172 -10.318  12.119
  145    H    GLU  21           HN       GLU  21   4.887  -8.610   9.326
  146    HA   GLU  21           HA       GLU  21   6.614  -7.167  11.243
  147   1HB   GLU  21           HB2      GLU  21   7.524  -9.093   9.965
  148   2HB   GLU  21           HB1      GLU  21   7.231  -8.217   8.464
  149   1HG   GLU  21           HG2      GLU  21   9.341  -7.427   8.735
  150   2HG   GLU  21           HG1      GLU  21   8.626  -6.363   9.947
  151    H    PHE  22           HN       PHE  22   4.678  -6.523   8.440
  152    HA   PHE  22           HA       PHE  22   6.098  -4.053   7.745
  153   1HB   PHE  22           HB2      PHE  22   3.869  -5.638   6.652
  154   2HB   PHE  22           HB1      PHE  22   3.669  -3.895   6.476
  155    HD1  PHE  22           HD1      PHE  22   6.006  -6.723   5.823
  156    HD2  PHE  22           HD2      PHE  22   4.956  -2.661   4.902
  157    HE1  PHE  22           HE1      PHE  22   7.631  -6.727   3.951
  158    HE2  PHE  22           HE2      PHE  22   6.582  -2.665   3.029
  159    HZ   PHE  22           HZ       PHE  22   7.920  -4.699   2.553
  160    H    LYS  23           HN       LYS  23   3.631  -4.965   9.967
  161    HA   LYS  23           HA       LYS  23   2.069  -2.606  10.086
  162   1HB   LYS  23           HB2      LYS  23   1.922  -3.254  12.618
  163   2HB   LYS  23           HB1      LYS  23   1.253  -4.355  11.412
  164   1HG   LYS  23           HG2      LYS  23   2.689  -5.973  12.021
  165   2HG   LYS  23           HG1      LYS  23   4.065  -4.897  11.779
  166   1HD   LYS  23           HD2      LYS  23   2.639  -4.140  14.172
  167   2HD   LYS  23           HD1      LYS  23   3.058  -5.852  14.238
  168   1HE   LYS  23           HE2      LYS  23   5.339  -5.440  14.153
  169   2HE   LYS  23           HE1      LYS  23   5.136  -3.904  13.310
  170   1HZ   LYS  23           HZ3      LYS  23   3.865  -3.804  15.829
  171   2HZ   LYS  23           HZ2      LYS  23   5.477  -4.303  16.028
  172   3HZ   LYS  23           HZ1      LYS  23   5.127  -2.841  15.236
  173    H    ALA  24           HN       ALA  24   5.372  -3.088  10.867
  174    HA   ALA  24           HA       ALA  24   5.819  -1.236  12.941
  175   1HB   ALA  24           HB2      ALA  24   7.495  -2.023  10.552
  176   2HB   ALA  24           HB1      ALA  24   8.083  -0.897  11.775
  177   3HB   ALA  24           HB3      ALA  24   7.668  -2.550  12.227
  178    H    ALA  25           HN       ALA  25   6.683  -0.377   9.589
  179    HA   ALA  25           HA       ALA  25   6.197   2.440  10.152
  180   1HB   ALA  25           HB3      ALA  25   7.823   1.156   8.404
  181   2HB   ALA  25           HB2      ALA  25   6.474   1.546   7.336
  182   3HB   ALA  25           HB1      ALA  25   7.318   2.833   8.196
  183    H    PHE  26           HN       PHE  26   4.492  -0.123   8.400
  184    HA   PHE  26           HA       PHE  26   2.533   1.616   7.198
  185   1HB   PHE  26           HB2      PHE  26   3.136  -0.879   6.668
  186   2HB   PHE  26           HB1      PHE  26   1.947  -1.245   7.917
  187    HD1  PHE  26           HD1      PHE  26   0.529   1.592   7.068
  188    HD2  PHE  26           HD2      PHE  26   1.524  -2.099   5.108
  189    HE1  PHE  26           HE1      PHE  26  -1.302   1.964   5.439
  190    HE2  PHE  26           HE2      PHE  26  -0.307  -1.726   3.478
  191    HZ   PHE  26           HZ       PHE  26  -1.720   0.305   3.643
  192    H    ASP  27           HN       ASP  27   1.996  -0.772   9.812
  193    HA   ASP  27           HA       ASP  27  -0.476   0.244  10.682
  194   1HB   ASP  27           HB2      ASP  27   1.005  -1.855  11.437
  195   2HB   ASP  27           HB1      ASP  27   1.402  -0.766  12.767
  196    H    MET  28           HN       MET  28   2.665   1.630  11.057
  197    HA   MET  28           HA       MET  28   2.584   3.057  13.422
  198   1HB   MET  28           HB2      MET  28   4.069   3.230  11.097
  199   2HB   MET  28           HB1      MET  28   3.263   4.798  11.158
  200   1HG   MET  28           HG2      MET  28   4.435   5.469  12.990
  201   2HG   MET  28           HG1      MET  28   4.344   3.877  13.745
  202   1HE   MET  28           HE1      MET  28   6.085   2.940  14.415
  203   2HE   MET  28           HE3      MET  28   7.720   2.835  13.746
  204   3HE   MET  28           HE2      MET  28   7.167   4.328  14.502
  205    H    PHE  29           HN       PHE  29   0.771   3.801  10.453
  206    HA   PHE  29           HA       PHE  29  -0.515   6.109  11.781
  207   1HB   PHE  29           HB2      PHE  29  -0.923   4.921   9.018
  208   2HB   PHE  29           HB1      PHE  29  -1.655   6.416   9.604
  209    HD1  PHE  29           HD1      PHE  29   1.625   4.756   8.977
  210    HD2  PHE  29           HD2      PHE  29  -0.469   8.463   9.535
  211    HE1  PHE  29           HE1      PHE  29   3.670   6.005   8.344
  212    HE2  PHE  29           HE2      PHE  29   1.576   9.714   8.902
  213    HZ   PHE  29           HZ       PHE  29   3.647   8.485   8.306
  214    H    ASP  30           HN       ASP  30  -2.021   3.578   9.776
  215    HA   ASP  30           HA       ASP  30  -4.534   3.612  10.980
  216   1HB   ASP  30           HB2      ASP  30  -4.145   2.294   8.985
  217   2HB   ASP  30           HB1      ASP  30  -3.007   1.253   9.841
  218    H    ALA  31           HN       ALA  31  -5.116   3.285  13.072
  219    HA   ALA  31           HA       ALA  31  -3.749   1.135  14.604
  220   1HB   ALA  31           HB1      ALA  31  -3.689   4.047  15.184
  221   2HB   ALA  31           HB3      ALA  31  -4.015   2.993  16.561
  222   3HB   ALA  31           HB2      ALA  31  -2.535   2.787  15.623
  223    H    ASP  32           HN       ASP  32  -6.405   3.511  14.502
  224    HA   ASP  32           HA       ASP  32  -7.997   1.689  16.243
  225   1HB   ASP  32           HB2      ASP  32  -8.657   4.519  15.376
  226   2HB   ASP  32           HB1      ASP  32  -9.466   3.578  16.629
  227    H    GLY  33           HN       GLY  33  -7.570   2.546  12.982
  228   1HA   GLY  33           HA2      GLY  33  -8.847   1.038  11.411
  229   2HA   GLY  33           HA1      GLY  33 -10.287   1.468  12.334
  230    H    GLY  34           HN       GLY  34  -7.622   3.500  11.093
  231   1HA   GLY  34           HA2      GLY  34  -8.896   4.628   8.874
  232   2HA   GLY  34           HA1      GLY  34  -9.453   5.573  10.257
  233    H    GLY  35           HN       GLY  35  -6.263   4.091   9.708
  234   1HA   GLY  35           HA2      GLY  35  -5.109   6.848   9.849
  235   2HA   GLY  35           HA1      GLY  35  -4.331   5.447  10.586
  236    H    ASP  36           HN       ASP  36  -5.877   5.645   7.389
  237    HA   ASP  36           HA       ASP  36  -3.869   4.196   6.037
  238   1HB   ASP  36           HB2      ASP  36  -5.391   6.428   4.698
  239   2HB   ASP  36           HB1      ASP  36  -4.917   4.866   4.033
  240    H    ILE  37           HN       ILE  37  -2.581   5.378   4.111
  241    HA   ILE  37           HA       ILE  37  -1.132   7.668   5.390
  242    HB   ILE  37           HB       ILE  37   0.744   6.816   3.753
  243   1HG1  ILE  37          HG12      ILE  37  -0.934   4.319   4.162
  244   2HG1  ILE  37          HG11      ILE  37  -0.756   5.177   2.632
  245   1HG2  ILE  37          HG21      ILE  37   0.465   6.676   6.383
  246   2HG2  ILE  37          HG23      ILE  37   0.235   4.960   6.051
  247   3HG2  ILE  37          HG22      ILE  37   1.733   5.758   5.571
  248   1HD1  ILE  37          HD13      ILE  37   1.515   3.940   4.216
  249   2HD1  ILE  37          HD12      ILE  37   0.790   3.250   2.765
  250   3HD1  ILE  37          HD11      ILE  37   1.670   4.775   2.670
  251    H    SER  38           HN       SER  38  -0.763   9.492   4.117
  252    HA   SER  38           HA       SER  38  -2.283   9.596   1.575
  253   1HB   SER  38           HB2      SER  38  -0.952  12.067   2.305
  254   2HB   SER  38           HB1      SER  38  -2.675  11.743   2.142
  255    HG   SER  38           HG       SER  38  -2.615  10.859   4.253
  256    H    THR  39           HN       THR  39  -0.992  11.352   0.017
  257    HA   THR  39           HA       THR  39   1.311   9.842  -0.914
  258    HB   THR  39           HB       THR  39   1.488  11.939  -2.477
  259    HG1  THR  39           HG1      THR  39  -0.492  13.059  -2.563
  260   1HG2  THR  39          HG21      THR  39   0.587   9.689  -3.086
  261   2HG2  THR  39          HG23      THR  39  -1.002  10.214  -2.529
  262   3HG2  THR  39          HG22      THR  39  -0.245  11.008  -3.910
  263    H    LYS  40           HN       LYS  40   0.898  12.219   1.448
  264    HA   LYS  40           HA       LYS  40   3.501  13.517   1.088
  265   1HB   LYS  40           HB2      LYS  40   1.499  14.654   2.121
  266   2HB   LYS  40           HB1      LYS  40   1.678  13.582   3.510
  267   1HG   LYS  40           HG2      LYS  40   3.876  14.453   3.991
  268   2HG   LYS  40           HG1      LYS  40   3.897  15.371   2.485
  269   1HD   LYS  40           HD2      LYS  40   2.729  17.075   3.396
  270   2HD   LYS  40           HD1      LYS  40   1.545  15.977   4.107
  271   1HE   LYS  40           HE2      LYS  40   2.897  15.602   6.033
  272   2HE   LYS  40           HE1      LYS  40   4.311  16.332   5.272
  273   1HZ   LYS  40           HZ3      LYS  40   3.041  18.446   5.202
  274   2HZ   LYS  40           HZ2      LYS  40   1.826  17.704   6.130
  275   3HZ   LYS  40           HZ1      LYS  40   3.386  17.905   6.772
  276    H    GLU  41           HN       GLU  41   2.129  11.592   3.790
  277    HA   GLU  41           HA       GLU  41   4.744  10.973   4.853
  278   1HB   GLU  41           HB2      GLU  41   2.212   9.390   5.349
  279   2HB   GLU  41           HB1      GLU  41   3.592   9.593   6.428
  280   1HG   GLU  41           HG2      GLU  41   2.405  12.145   5.609
  281   2HG   GLU  41           HG1      GLU  41   1.276  11.113   6.487
  282    H    LEU  42           HN       LEU  42   2.569   9.411   2.574
  283    HA   LEU  42           HA       LEU  42   3.757   6.831   2.506
  284   1HB   LEU  42           HB2      LEU  42   1.679   7.211   1.341
  285   2HB   LEU  42           HB1      LEU  42   2.409   8.464   0.338
  286    HG   LEU  42           HG       LEU  42   3.713   5.791   0.278
  287   1HD1  LEU  42          HD11      LEU  42   1.087   5.580   0.193
  288   2HD1  LEU  42          HD13      LEU  42   1.284   6.225  -1.436
  289   3HD1  LEU  42          HD12      LEU  42   2.073   4.713  -0.984
  290   1HD2  LEU  42          HD21      LEU  42   3.517   8.224  -1.302
  291   2HD2  LEU  42          HD23      LEU  42   4.708   6.928  -1.401
  292   3HD2  LEU  42          HD22      LEU  42   3.189   6.800  -2.289
  293    H    GLY  43           HN       GLY  43   4.714   9.885   1.028
  294   1HA   GLY  43           HA2      GLY  43   6.896   8.589  -0.476
  295   2HA   GLY  43           HA1      GLY  43   6.517  10.313  -0.481
  296    H    THR  44           HN       THR  44   6.372  10.184   2.562
  297    HA   THR  44           HA       THR  44   9.227  10.737   2.997
  298    HB   THR  44           HB       THR  44   7.261  10.757   5.247
  299    HG1  THR  44           HG1      THR  44   7.326  12.888   3.420
  300   1HG2  THR  44          HG21      THR  44   9.632  12.347   4.308
  301   2HG2  THR  44          HG23      THR  44   8.499  13.057   5.459
  302   3HG2  THR  44          HG22      THR  44   9.361  11.574   5.870
  303    H    VAL  45           HN       VAL  45   7.194   8.047   3.226
  304    HA   VAL  45           HA       VAL  45   8.638   6.809   5.479
  305    HB   VAL  45           HB       VAL  45   6.370   5.917   3.688
  306   1HG1  VAL  45          HG13      VAL  45   8.216   4.299   5.372
  307   2HG1  VAL  45          HG12      VAL  45   6.494   3.947   5.529
  308   3HG1  VAL  45          HG11      VAL  45   7.280   3.825   3.954
  309   1HG2  VAL  45          HG21      VAL  45   6.718   6.987   6.411
  310   2HG2  VAL  45          HG23      VAL  45   5.299   7.016   5.366
  311   3HG2  VAL  45          HG22      VAL  45   5.660   5.579   6.323
  312    H    MET  46           HN       MET  46   8.196   6.214   1.976
  313    HA   MET  46           HA       MET  46  10.307   4.188   1.959
  314   1HB   MET  46           HB2      MET  46   8.443   5.390  -0.024
  315   2HB   MET  46           HB1      MET  46   9.966   4.768  -0.658
  316   1HG   MET  46           HG2      MET  46   9.525   2.578   0.082
  317   2HG   MET  46           HG1      MET  46   8.304   3.117   1.236
  318   1HE   MET  46           HE3      MET  46   6.333   3.789   0.995
  319   2HE   MET  46           HE2      MET  46   5.859   4.745  -0.407
  320   3HE   MET  46           HE1      MET  46   5.183   3.135  -0.179
  321    H    ARG  47           HN       ARG  47  10.116   7.612   1.703
  322    HA   ARG  47           HA       ARG  47  12.359   8.199   0.066
  323   1HB   ARG  47           HB2      ARG  47  10.976  10.027   0.717
  324   2HB   ARG  47           HB1      ARG  47  11.124   9.629   2.428
  325   1HG   ARG  47           HG2      ARG  47  13.412  10.329   2.489
  326   2HG   ARG  47           HG1      ARG  47  13.497  10.431   0.731
  327   1HD   ARG  47           HD2      ARG  47  12.617  12.513   0.711
  328   2HD   ARG  47           HD1      ARG  47  11.338  12.063   1.840
  329    HE   ARG  47           HE       ARG  47  13.432  12.228   3.533
  330   1HH1  ARG  47          HH11      ARG  47  11.405  14.487   2.491
  331   2HH1  ARG  47          HH12      ARG  47  12.507  15.823   2.473
  332   1HH2  ARG  47          HH21      ARG  47  15.329  13.839   2.834
  333   2HH2  ARG  47          HH22      ARG  47  14.730  15.455   2.666
  334    H    MET  48           HN       MET  48  12.194   7.754   3.613
  335    HA   MET  48           HA       MET  48  14.973   8.043   4.115
  336   1HB   MET  48           HB2      MET  48  12.636   7.103   5.556
  337   2HB   MET  48           HB1      MET  48  14.042   6.105   5.924
  338   1HG   MET  48           HG2      MET  48  14.748   7.726   7.315
  339   2HG   MET  48           HG1      MET  48  14.991   8.755   5.904
  340   1HE   MET  48           HE3      MET  48  13.409   9.824   4.731
  341   2HE   MET  48           HE2      MET  48  11.822  10.412   5.222
  342   3HE   MET  48           HE1      MET  48  13.272  11.257   5.760
  343    H    LEU  49           HN       LEU  49  13.096   5.030   3.590
  344    HA   LEU  49           HA       LEU  49  15.619   3.524   3.294
  345   1HB   LEU  49           HB2      LEU  49  12.697   2.738   3.281
  346   2HB   LEU  49           HB1      LEU  49  13.977   1.595   2.870
  347    HG   LEU  49           HG       LEU  49  13.520   1.327   5.217
  348   1HD1  LEU  49          HD13      LEU  49  15.991   1.739   4.279
  349   2HD1  LEU  49          HD12      LEU  49  15.912   3.110   5.385
  350   3HD1  LEU  49          HD11      LEU  49  15.689   1.470   5.995
  351   1HD2  LEU  49          HD21      LEU  49  12.407   3.575   5.455
  352   2HD2  LEU  49          HD23      LEU  49  13.499   3.175   6.782
  353   3HD2  LEU  49          HD22      LEU  49  14.013   4.300   5.525
  354    H    GLY  50           HN       GLY  50  15.684   5.320   1.308
  355   1HA   GLY  50           HA2      GLY  50  15.885   3.826  -1.065
  356   2HA   GLY  50           HA1      GLY  50  14.283   4.562  -1.091
  357    H    GLN  51           HN       GLN  51  14.157   6.588  -1.922
  358    HA   GLN  51           HA       GLN  51  16.548   8.372  -1.775
  359   1HB   GLN  51           HB2      GLN  51  15.061   8.571  -4.297
  360   2HB   GLN  51           HB1      GLN  51  16.802   8.530  -4.031
  361   1HG   GLN  51           HG2      GLN  51  15.070   6.057  -3.841
  362   2HG   GLN  51           HG1      GLN  51  15.820   6.570  -5.350
  363   1HE2  GLN  51          HE22      GLN  51  18.026   4.375  -2.937
  364   2HE2  GLN  51          HE21      GLN  51  16.331   4.369  -3.021
  365    H    ASN  52           HN       ASN  52  15.866  10.709  -2.142
  366    HA   ASN  52           HA       ASN  52  13.267  11.165  -0.960
  367   1HB   ASN  52           HB2      ASN  52  15.065  13.044  -2.530
  368   2HB   ASN  52           HB1      ASN  52  13.649  13.545  -1.605
  369   1HD2  ASN  52          HD22      ASN  52  17.120  12.635   0.343
  370   2HD2  ASN  52          HD21      ASN  52  16.972  12.346  -1.323
  371    HA   PRO  53           HA       PRO  53  11.300  10.658  -4.936
  372   1HB   PRO  53           HB2      PRO  53   8.766  10.464  -3.918
  373   2HB   PRO  53           HB1      PRO  53   9.943   9.141  -3.854
  374   1HG   PRO  53           HG2      PRO  53   8.937  10.813  -1.639
  375   2HG   PRO  53           HG1      PRO  53   9.788   9.263  -1.574
  376   1HD   PRO  53           HD2      PRO  53  10.882  11.921  -1.159
  377   2HD   PRO  53           HD1      PRO  53  11.699  10.348  -1.009
  378    H    THR  54           HN       THR  54   9.084  11.710  -5.832
  379    HA   THR  54           HA       THR  54   9.294  14.640  -5.297
  380    HB   THR  54           HB       THR  54   7.906  13.422  -7.673
  381    HG1  THR  54           HG1      THR  54  10.667  14.035  -7.489
  382   1HG2  THR  54          HG23      THR  54   7.921  15.933  -6.944
  383   2HG2  THR  54          HG22      THR  54   9.558  15.928  -7.600
  384   3HG2  THR  54          HG21      THR  54   8.191  15.526  -8.639
  385    H    LYS  55           HN       LYS  55   7.265  15.854  -5.187
  386    HA   LYS  55           HA       LYS  55   5.267  14.652  -3.574
  387   1HB   LYS  55           HB2      LYS  55   5.578  17.105  -3.772
  388   2HB   LYS  55           HB1      LYS  55   4.966  17.036  -5.425
  389   1HG   LYS  55           HG2      LYS  55   3.257  17.682  -3.644
  390   2HG   LYS  55           HG1      LYS  55   2.798  16.343  -4.696
  391   1HD   LYS  55           HD2      LYS  55   2.964  14.785  -3.018
  392   2HD   LYS  55           HD1      LYS  55   4.283  15.637  -2.215
  393   1HE   LYS  55           HE2      LYS  55   2.237  17.433  -1.929
  394   2HE   LYS  55           HE1      LYS  55   1.368  15.901  -1.835
  395   1HZ   LYS  55           HZ3      LYS  55   3.686  15.613  -0.337
  396   2HZ   LYS  55           HZ2      LYS  55   3.022  17.114   0.098
  397   3HZ   LYS  55           HZ1      LYS  55   2.091  15.700   0.233
  398    H    GLU  56           HN       GLU  56   5.547  14.972  -7.075
  399    HA   GLU  56           HA       GLU  56   2.884  13.786  -7.480
  400   1HB   GLU  56           HB2      GLU  56   4.291  15.553  -8.967
  401   2HB   GLU  56           HB1      GLU  56   4.772  14.052  -9.759
  402   1HG   GLU  56           HG2      GLU  56   2.761  13.854 -10.753
  403   2HG   GLU  56           HG1      GLU  56   1.926  14.050  -9.210
  404    H    GLU  57           HN       GLU  57   6.190  12.778  -7.252
  405    HA   GLU  57           HA       GLU  57   6.097  10.388  -8.798
  406   1HB   GLU  57           HB2      GLU  57   8.072  11.586  -7.478
  407   2HB   GLU  57           HB1      GLU  57   7.622  10.434  -6.222
  408   1HG   GLU  57           HG2      GLU  57   8.609   8.744  -7.335
  409   2HG   GLU  57           HG1      GLU  57   7.713   9.127  -8.805
  410    H    LEU  58           HN       LEU  58   4.903  11.146  -5.578
  411    HA   LEU  58           HA       LEU  58   4.314   8.328  -4.972
  412   1HB   LEU  58           HB2      LEU  58   3.741  10.931  -3.535
  413   2HB   LEU  58           HB1      LEU  58   3.170   9.370  -2.945
  414    HG   LEU  58           HG       LEU  58   5.238   9.786  -1.820
  415   1HD1  LEU  58          HD11      LEU  58   4.846   7.562  -3.357
  416   2HD1  LEU  58          HD13      LEU  58   6.410   8.113  -3.956
  417   3HD1  LEU  58          HD12      LEU  58   6.195   7.764  -2.241
  418   1HD2  LEU  58          HD22      LEU  58   5.929  11.543  -3.564
  419   2HD2  LEU  58          HD21      LEU  58   7.223  10.562  -2.877
  420   3HD2  LEU  58          HD23      LEU  58   6.601  10.198  -4.488
  421    H    ASP  59           HN       ASP  59   2.730  11.036  -6.443
  422    HA   ASP  59           HA       ASP  59   0.025  10.017  -5.997
  423   1HB   ASP  59           HB2      ASP  59   0.648  12.465  -6.366
  424   2HB   ASP  59           HB1      ASP  59   0.880  12.053  -8.066
  425    H    ALA  60           HN       ALA  60   2.547   9.067  -7.984
  426    HA   ALA  60           HA       ALA  60   0.836   8.296 -10.267
  427   1HB   ALA  60           HB2      ALA  60   3.344   9.085 -10.339
  428   2HB   ALA  60           HB1      ALA  60   3.686   7.405  -9.923
  429   3HB   ALA  60           HB3      ALA  60   2.812   7.784 -11.406
  430    H    ILE  61           HN       ILE  61   2.783   6.705  -7.729
  431    HA   ILE  61           HA       ILE  61   1.987   4.031  -8.480
  432    HB   ILE  61           HB       ILE  61   2.639   4.662  -5.633
  433   1HG1  ILE  61          HG12      ILE  61   5.125   4.455  -6.855
  434   2HG1  ILE  61          HG11      ILE  61   4.237   5.559  -7.908
  435   1HG2  ILE  61          HG22      ILE  61   2.349   2.345  -6.494
  436   2HG2  ILE  61          HG21      ILE  61   3.705   2.613  -7.589
  437   3HG2  ILE  61          HG23      ILE  61   3.964   2.635  -5.845
  438   1HD1  ILE  61          HD13      ILE  61   3.600   6.911  -5.943
  439   2HD1  ILE  61          HD12      ILE  61   4.515   5.819  -4.902
  440   3HD1  ILE  61          HD11      ILE  61   5.353   6.802  -6.102
  441    H    ILE  62           HN       ILE  62   0.688   6.485  -6.308
  442    HA   ILE  62           HA       ILE  62  -1.308   4.719  -5.165
  443    HB   ILE  62           HB       ILE  62  -0.925   7.717  -5.159
  444   1HG1  ILE  62          HG12      ILE  62  -0.696   5.496  -3.110
  445   2HG1  ILE  62          HG11      ILE  62   0.590   6.550  -3.702
  446   1HG2  ILE  62          HG21      ILE  62  -3.170   6.075  -3.948
  447   2HG2  ILE  62          HG23      ILE  62  -2.810   7.738  -3.483
  448   3HG2  ILE  62          HG22      ILE  62  -3.325   7.374  -5.130
  449   1HD1  ILE  62          HD12      ILE  62  -1.363   8.312  -2.767
  450   2HD1  ILE  62          HD11      ILE  62  -1.339   7.017  -1.570
  451   3HD1  ILE  62          HD13      ILE  62   0.142   7.896  -1.948
  452    H    GLU  63           HN       GLU  63  -1.081   6.693  -8.024
  453    HA   GLU  63           HA       GLU  63  -3.780   7.214  -8.588
  454   1HB   GLU  63           HB2      GLU  63  -2.140   8.073 -10.095
  455   2HB   GLU  63           HB1      GLU  63  -1.481   6.468 -10.408
  456   1HG   GLU  63           HG2      GLU  63  -2.957   6.119 -12.070
  457   2HG   GLU  63           HG1      GLU  63  -4.310   6.523 -11.014
  458    H    GLU  64           HN       GLU  64  -1.944   4.227  -9.313
  459    HA   GLU  64           HA       GLU  64  -4.443   2.901 -10.166
  460   1HB   GLU  64           HB2      GLU  64  -3.000   1.041 -10.798
  461   2HB   GLU  64           HB1      GLU  64  -2.316   2.548 -11.411
  462   1HG   GLU  64           HG2      GLU  64  -1.117   2.480  -8.996
  463   2HG   GLU  64           HG1      GLU  64  -1.311   0.748  -9.269
  464    H    VAL  65           HN       VAL  65  -4.850   3.462  -7.548
  465    HA   VAL  65           HA       VAL  65  -5.221   0.882  -6.371
  466    HB   VAL  65           HB       VAL  65  -3.634   1.600  -4.317
  467   1HG1  VAL  65          HG11      VAL  65  -3.715  -0.432  -6.111
  468   2HG1  VAL  65          HG13      VAL  65  -2.157   0.285  -6.523
  469   3HG1  VAL  65          HG12      VAL  65  -2.463  -0.274  -4.879
  470   1HG2  VAL  65          HG23      VAL  65  -2.814   3.612  -5.576
  471   2HG2  VAL  65          HG22      VAL  65  -1.525   2.498  -5.129
  472   3HG2  VAL  65          HG21      VAL  65  -2.128   2.528  -6.784
  473    H    ASP  66           HN       ASP  66  -4.552   4.241  -5.404
  474    HA   ASP  66           HA       ASP  66  -5.919   4.646  -3.122
  475   1HB   ASP  66           HB2      ASP  66  -6.857   6.815  -4.306
  476   2HB   ASP  66           HB1      ASP  66  -5.124   6.621  -4.045
  477    H    GLU  67           HN       GLU  67  -7.989   5.845  -5.662
  478    HA   GLU  67           HA       GLU  67  -9.987   3.788  -5.571
  479   1HB   GLU  67           HB2      GLU  67  -9.918   5.068  -3.193
  480   2HB   GLU  67           HB1      GLU  67 -10.986   6.161  -4.076
  481   1HG   GLU  67           HG2      GLU  67 -11.887   3.595  -4.748
  482   2HG   GLU  67           HG1      GLU  67 -11.542   3.511  -3.020
  483    H    ASP  68           HN       ASP  68  -9.679   7.355  -5.645
  484    HA   ASP  68           HA       ASP  68 -10.650   7.372  -8.421
  485   1HB   ASP  68           HB2      ASP  68 -12.611   7.470  -6.588
  486   2HB   ASP  68           HB1      ASP  68 -12.171   9.178  -6.600
  487    H    GLY  69           HN       GLY  69  -8.337   8.277  -6.574
  488   1HA   GLY  69           HA2      GLY  69  -6.768  10.014  -7.275
  489   2HA   GLY  69           HA1      GLY  69  -8.145  11.005  -7.760
  490    H    SER  70           HN       SER  70  -6.701   9.524  -4.843
  491    HA   SER  70           HA       SER  70  -7.595  11.955  -3.345
  492   1HB   SER  70           HB2      SER  70  -7.545  10.256  -1.338
  493   2HB   SER  70           HB1      SER  70  -8.949  10.302  -2.401
  494    HG   SER  70           HG       SER  70  -8.492   8.341  -2.978
  495    H    GLY  71           HN       GLY  71  -5.130   9.468  -3.794
  496   1HA   GLY  71           HA2      GLY  71  -2.779   9.811  -3.540
  497   2HA   GLY  71           HA1      GLY  71  -3.114  11.326  -2.701
  498    H    THR  72           HN       THR  72  -4.747   8.357  -1.835
  499    HA   THR  72           HA       THR  72  -2.964   8.002   0.516
  500    HB   THR  72           HB       THR  72  -4.482   9.073   1.828
  501    HG1  THR  72           HG1      THR  72  -6.528   7.608   1.962
  502   1HG2  THR  72          HG23      THR  72  -6.194   8.860  -0.613
  503   2HG2  THR  72          HG22      THR  72  -6.981   9.217   0.925
  504   3HG2  THR  72          HG21      THR  72  -5.724  10.289   0.307
  505    H    ILE  73           HN       ILE  73  -3.449   5.886   1.628
  506    HA   ILE  73           HA       ILE  73  -5.052   3.946   0.111
  507    HB   ILE  73           HB       ILE  73  -2.897   2.440   0.025
  508   1HG1  ILE  73          HG12      ILE  73  -1.673   5.195  -0.240
  509   2HG1  ILE  73          HG11      ILE  73  -1.570   4.239   1.239
  510   1HG2  ILE  73          HG21      ILE  73  -4.331   3.721  -1.846
  511   2HG2  ILE  73          HG23      ILE  73  -2.820   4.615  -2.018
  512   3HG2  ILE  73          HG22      ILE  73  -2.839   2.866  -2.241
  513   1HD1  ILE  73          HD13      ILE  73  -0.575   2.372  -0.133
  514   2HD1  ILE  73          HD12      ILE  73  -0.505   3.492  -1.494
  515   3HD1  ILE  73          HD11      ILE  73   0.434   3.816  -0.037
  516    H    ASP  74           HN       ASP  74  -5.463   2.053   1.347
  517    HA   ASP  74           HA       ASP  74  -4.486   2.214   4.167
  518   1HB   ASP  74           HB2      ASP  74  -6.552   1.044   4.806
  519   2HB   ASP  74           HB1      ASP  74  -6.931   2.520   3.919
  520    H    PHE  75           HN       PHE  75  -5.269  -0.372   4.954
  521    HA   PHE  75           HA       PHE  75  -3.035  -1.913   3.977
  522   1HB   PHE  75           HB2      PHE  75  -5.230  -2.278   5.934
  523   2HB   PHE  75           HB1      PHE  75  -4.581  -3.763   5.236
  524    HD1  PHE  75           HD2      PHE  75  -3.104  -0.465   6.263
  525    HD2  PHE  75           HD1      PHE  75  -2.974  -4.745   6.602
  526    HE1  PHE  75           HE2      PHE  75  -1.113  -0.288   7.732
  527    HE2  PHE  75           HE1      PHE  75  -0.984  -4.569   8.070
  528    HZ   PHE  75           HZ       PHE  75  -0.053  -2.340   8.635
  529    H    GLU  76           HN       GLU  76  -6.086  -1.348   2.649
  530    HA   GLU  76           HA       GLU  76  -6.295  -3.999   1.362
  531   1HB   GLU  76           HB2      GLU  76  -8.003  -1.504   1.297
  532   2HB   GLU  76           HB1      GLU  76  -8.313  -2.886   0.245
  533   1HG   GLU  76           HG2      GLU  76  -8.284  -4.313   2.385
  534   2HG   GLU  76           HG1      GLU  76  -8.392  -2.787   3.264
  535    H    GLU  77           HN       GLU  77  -6.005  -0.592   0.274
  536    HA   GLU  77           HA       GLU  77  -5.314  -1.467  -2.437
  537   1HB   GLU  77           HB2      GLU  77  -5.589   1.202  -1.069
  538   2HB   GLU  77           HB1      GLU  77  -4.860   1.084  -2.671
  539   1HG   GLU  77           HG2      GLU  77  -7.615   0.079  -1.895
  540   2HG   GLU  77           HG1      GLU  77  -7.274   1.512  -2.864
  541    H    PHE  78           HN       PHE  78  -3.604  -1.004   0.462
  542    HA   PHE  78           HA       PHE  78  -1.101  -0.117  -0.749
  543   1HB   PHE  78           HB2      PHE  78  -1.706   0.382   1.616
  544   2HB   PHE  78           HB1      PHE  78  -1.594  -1.340   1.980
  545    HD1  PHE  78           HD2      PHE  78   0.662  -2.506   1.217
  546    HD2  PHE  78           HD1      PHE  78   0.187   1.710   1.886
  547    HE1  PHE  78           HE2      PHE  78   3.111  -2.278   1.518
  548    HE2  PHE  78           HE1      PHE  78   2.638   1.936   2.193
  549    HZ   PHE  78           HZ       PHE  78   4.100  -0.057   2.007
  550    H    LEU  79           HN       LEU  79  -2.389  -3.226   0.453
  551    HA   LEU  79           HA       LEU  79   0.075  -4.601  -0.423
  552   1HB   LEU  79           HB2      LEU  79  -2.373  -5.385   1.122
  553   2HB   LEU  79           HB1      LEU  79  -1.386  -6.642   0.375
  554    HG   LEU  79           HG       LEU  79   0.574  -5.189   1.509
  555   1HD1  LEU  79          HD11      LEU  79  -1.212  -3.618   2.432
  556   2HD1  LEU  79          HD13      LEU  79  -1.711  -4.948   3.479
  557   3HD1  LEU  79          HD12      LEU  79  -0.086  -4.274   3.621
  558   1HD2  LEU  79          HD22      LEU  79   0.122  -7.610   1.824
  559   2HD2  LEU  79          HD21      LEU  79   0.525  -6.823   3.351
  560   3HD2  LEU  79          HD23      LEU  79  -1.153  -7.211   2.974
  561    H    VAL  80           HN       VAL  80  -3.303  -4.293  -1.422
  562    HA   VAL  80           HA       VAL  80  -3.474  -6.428  -3.245
  563    HB   VAL  80           HB       VAL  80  -5.312  -4.795  -2.592
  564   1HG1  VAL  80          HG11      VAL  80  -4.049  -2.730  -3.085
  565   2HG1  VAL  80          HG13      VAL  80  -3.998  -3.168  -4.792
  566   3HG1  VAL  80          HG12      VAL  80  -5.541  -2.796  -4.022
  567   1HG2  VAL  80          HG21      VAL  80  -4.783  -6.102  -5.147
  568   2HG2  VAL  80          HG23      VAL  80  -6.282  -6.030  -4.219
  569   3HG2  VAL  80          HG22      VAL  80  -5.869  -4.724  -5.331
  570    H    MET  81           HN       MET  81  -1.652  -3.452  -3.529
  571    HA   MET  81           HA       MET  81  -1.327  -3.641  -6.416
  572   1HB   MET  81           HB2      MET  81   0.256  -1.836  -6.183
  573   2HB   MET  81           HB1      MET  81  -1.085  -1.508  -5.089
  574   1HG   MET  81           HG2      MET  81   0.162  -2.232  -3.185
  575   2HG   MET  81           HG1      MET  81   1.422  -2.941  -4.195
  576   1HE   MET  81           HE1      MET  81  -0.437   0.197  -3.103
  577   2HE   MET  81           HE3      MET  81   0.778  -0.202  -1.883
  578   3HE   MET  81           HE2      MET  81   0.888   1.311  -2.780
  579    H    MET  82           HN       MET  82   0.457  -4.795  -3.598
  580    HA   MET  82           HA       MET  82   2.744  -5.668  -5.202
  581   1HB   MET  82           HB2      MET  82   3.599  -6.588  -3.135
  582   2HB   MET  82           HB1      MET  82   2.898  -5.012  -2.768
  583   1HG   MET  82           HG2      MET  82   1.417  -5.942  -1.352
  584   2HG   MET  82           HG1      MET  82   0.866  -7.058  -2.602
  585   1HE   MET  82           HE2      MET  82   1.893  -9.242  -3.196
  586   2HE   MET  82           HE1      MET  82   3.517  -8.585  -3.379
  587   3HE   MET  82           HE3      MET  82   3.249 -10.029  -2.393
  588    H    VAL  83           HN       VAL  83  -0.332  -6.958  -4.281
  589    HA   VAL  83           HA       VAL  83   0.278  -9.755  -4.446
  590    HB   VAL  83           HB       VAL  83  -2.270  -8.186  -4.903
  591   1HG1  VAL  83          HG13      VAL  83  -1.641 -11.042  -5.398
  592   2HG1  VAL  83          HG12      VAL  83  -3.111 -10.732  -4.474
  593   3HG1  VAL  83          HG11      VAL  83  -2.917 -10.035  -6.082
  594   1HG2  VAL  83          HG22      VAL  83  -0.881  -9.397  -2.622
  595   2HG2  VAL  83          HG21      VAL  83  -2.174  -8.198  -2.639
  596   3HG2  VAL  83          HG23      VAL  83  -2.561  -9.914  -2.754
  597    H    ARG  84           HN       ARG  84  -0.331  -7.290  -6.864
  598    HA   ARG  84           HA       ARG  84  -0.691  -9.206  -9.040
  599   1HB   ARG  84           HB2      ARG  84  -0.140  -6.222  -9.075
  600   2HB   ARG  84           HB1      ARG  84  -0.567  -7.188 -10.487
  601   1HG   ARG  84           HG2      ARG  84  -2.752  -7.547  -9.747
  602   2HG   ARG  84           HG1      ARG  84  -2.332  -7.260  -8.058
  603   1HD   ARG  84           HD2      ARG  84  -2.404  -4.960  -8.284
  604   2HD   ARG  84           HD1      ARG  84  -1.975  -5.010  -9.994
  605    HE   ARG  84           HE       ARG  84  -4.698  -5.608  -8.920
  606   1HH1  ARG  84          HH21      ARG  84  -5.152  -6.798 -11.264
  607   2HH1  ARG  84          HH22      ARG  84  -5.227  -5.588 -12.501
  608   1HH2  ARG  84          HH11      ARG  84  -3.654  -3.160 -10.590
  609   2HH2  ARG  84          HH12      ARG  84  -4.378  -3.528 -12.120
  610    H    GLN  85           HN       GLN  85   1.671  -6.574  -9.168
  611    HA   GLN  85           HA       GLN  85   3.647  -8.480 -10.256
  612   1HB   GLN  85           HB2      GLN  85   3.103  -5.652 -10.528
  613   2HB   GLN  85           HB1      GLN  85   4.788  -5.907 -10.073
  614   1HG   GLN  85           HG2      GLN  85   5.006  -6.178 -12.348
  615   2HG   GLN  85           HG1      GLN  85   4.577  -7.836 -11.925
  616   1HE2  GLN  85          HE22      GLN  85   2.288  -6.519 -14.650
  617   2HE2  GLN  85          HE21      GLN  85   3.978  -6.560 -14.503
  618    H    MET  86           HN       MET  86   4.107  -9.607  -8.246
  619    HA   MET  86           HA       MET  86   5.249  -8.059  -6.022
  620   1HB   MET  86           HB2      MET  86   5.647 -10.389  -5.067
  621   2HB   MET  86           HB1      MET  86   3.960  -9.978  -5.377
  622   1HG   MET  86           HG2      MET  86   5.214 -11.124  -7.738
  623   2HG   MET  86           HG1      MET  86   5.332 -12.214  -6.356
  624   1HE   MET  86           HE2      MET  86   3.579 -11.929  -4.634
  625   2HE   MET  86           HE1      MET  86   1.877 -11.559  -4.894
  626   3HE   MET  86           HE3      MET  86   2.470 -13.211  -5.112
  627    H    LYS  87           HN       LYS  87   6.376  -9.193  -8.961
  628    HA   LYS  87           HA       LYS  87   8.946 -10.234  -8.289
  629   1HB   LYS  87           HB2      LYS  87   7.588  -9.219 -10.687
  630   2HB   LYS  87           HB1      LYS  87   9.324  -8.908 -10.688
  631   1HG   LYS  87           HG2      LYS  87   8.769 -11.589  -9.738
  632   2HG   LYS  87           HG1      LYS  87   8.052 -11.328 -11.330
  633   1HD   LYS  87           HD2      LYS  87  10.686 -10.153 -11.242
  634   2HD   LYS  87           HD1      LYS  87  10.768 -11.844 -10.747
  635   1HE   LYS  87           HE2      LYS  87  10.535 -12.489 -12.887
  636   2HE   LYS  87           HE1      LYS  87   8.980 -11.661 -12.970
  637   1HZ   LYS  87           HZ3      LYS  87  11.510 -10.163 -13.215
  638   2HZ   LYS  87           HZ2      LYS  87  10.823 -10.936 -14.563
  639   3HZ   LYS  87           HZ1      LYS  87   9.960  -9.725 -13.743
  640    H    GLU  88           HN       GLU  88   8.052  -6.914  -9.313
  641    HA   GLU  88           HA       GLU  88  10.633  -5.815  -8.682
  642   1HB   GLU  88           HB2      GLU  88   9.311  -3.614  -8.649
  643   2HB   GLU  88           HB1      GLU  88   9.242  -4.537 -10.150
  644   1HG   GLU  88           HG2      GLU  88   7.064  -5.341  -9.693
  645   2HG   GLU  88           HG1      GLU  88   7.171  -4.908  -7.986
  646    H    ASP  89           HN       ASP  89   8.111  -6.967  -6.740
  647    HA   ASP  89           HA       ASP  89   8.039  -7.108  -4.393
  648   1HB   ASP  89           HB2      ASP  89  10.615  -6.365  -4.738
  649   2HB   ASP  89           HB1      ASP  89   9.992  -4.904  -3.970
  650    H    ALA  90           HN       ALA  90   8.941  -3.695  -4.957
  651    HA   ALA  90           HA       ALA  90   7.778  -1.749  -4.304
  652   1HB   ALA  90           HB3      ALA  90   6.752  -2.316  -6.480
  653   2HB   ALA  90           HB2      ALA  90   5.570  -3.334  -5.655
  654   3HB   ALA  90           HB1      ALA  90   5.567  -1.590  -5.392
   
  No H/Q in entry =         654
  Start of MODEL    5
    1   1H    ALA   1           HT1      ALA   1 -15.404  -6.935 -12.758
    2   2H    ALA   1           HT3      ALA   1 -14.347  -8.262 -12.778
    3   3H    ALA   1           HT2      ALA   1 -15.990  -8.482 -13.150
    4    HA   ALA   1           HA       ALA   1 -16.634  -8.518 -11.011
    5   1HB   ALA   1           HB1      ALA   1 -14.444  -9.988 -11.400
    6   2HB   ALA   1           HB3      ALA   1 -13.769  -8.860 -10.226
    7   3HB   ALA   1           HB2      ALA   1 -15.172  -9.840  -9.800
    8    H    SER   2           HN       SER   2 -16.541  -7.546  -8.837
    9    HA   SER   2           HA       SER   2 -15.932  -4.718  -8.953
   10   1HB   SER   2           HB2      SER   2 -16.434  -6.200  -6.385
   11   2HB   SER   2           HB1      SER   2 -16.936  -4.574  -6.840
   12    HG   SER   2           HG       SER   2 -18.021  -7.064  -7.516
   13    H    MET   3           HN       MET   3 -14.957  -4.610  -6.129
   14    HA   MET   3           HA       MET   3 -12.103  -5.296  -6.702
   15   1HB   MET   3           HB2      MET   3 -11.511  -3.464  -5.183
   16   2HB   MET   3           HB1      MET   3 -12.591  -2.868  -6.444
   17   1HG   MET   3           HG2      MET   3 -14.333  -2.535  -4.987
   18   2HG   MET   3           HG1      MET   3 -13.883  -3.906  -3.973
   19   1HE   MET   3           HE1      MET   3 -12.552  -4.136  -2.447
   20   2HE   MET   3           HE3      MET   3 -11.220  -3.117  -1.882
   21   3HE   MET   3           HE2      MET   3 -12.830  -2.930  -1.193
   22    H    THR   4           HN       THR   4 -14.234  -7.021  -5.454
   23    HA   THR   4           HA       THR   4 -13.393  -7.201  -2.636
   24    HB   THR   4           HB       THR   4 -15.347  -8.767  -4.336
   25    HG1  THR   4           HG1      THR   4 -16.815  -7.706  -3.131
   26   1HG2  THR   4          HG23      THR   4 -13.952  -9.615  -1.965
   27   2HG2  THR   4          HG22      THR   4 -15.664  -9.405  -1.597
   28   3HG2  THR   4          HG21      THR   4 -15.169 -10.485  -2.901
   29    H    ASP   5           HN       ASP   5 -13.820  -9.959  -4.822
   30    HA   ASP   5           HA       ASP   5 -11.778 -11.537  -3.735
   31   1HB   ASP   5           HB2      ASP   5 -13.569 -12.045  -5.604
   32   2HB   ASP   5           HB1      ASP   5 -12.258 -11.604  -6.699
   33    H    GLN   6           HN       GLN   6 -11.513  -8.763  -5.785
   34    HA   GLN   6           HA       GLN   6  -9.083  -9.118  -7.101
   35   1HB   GLN   6           HB2      GLN   6 -10.671  -7.057  -7.001
   36   2HB   GLN   6           HB1      GLN   6  -9.665  -6.548  -5.645
   37   1HG   GLN   6           HG2      GLN   6  -7.819  -7.331  -7.574
   38   2HG   GLN   6           HG1      GLN   6  -9.072  -6.510  -8.505
   39   1HE2  GLN   6          HE22      GLN   6  -8.489  -3.324  -6.960
   40   2HE2  GLN   6          HE21      GLN   6  -9.671  -4.260  -7.738
   41    H    GLN   7           HN       GLN   7  -9.526  -7.994  -3.727
   42    HA   GLN   7           HA       GLN   7  -6.613  -8.170  -3.285
   43   1HB   GLN   7           HB2      GLN   7  -7.124  -7.281  -1.051
   44   2HB   GLN   7           HB1      GLN   7  -7.903  -6.302  -2.294
   45   1HG   GLN   7           HG2      GLN   7  -9.757  -8.323  -1.727
   46   2HG   GLN   7           HG1      GLN   7  -9.117  -7.850  -0.153
   47   1HE2  GLN   7          HE22      GLN   7 -11.945  -5.547  -1.318
   48   2HE2  GLN   7          HE21      GLN   7 -11.823  -7.240  -1.330
   49    H    ALA   8           HN       ALA   8  -9.255 -10.269  -3.120
   50    HA   ALA   8           HA       ALA   8  -8.516 -11.792  -0.778
   51   1HB   ALA   8           HB1      ALA   8 -10.099 -12.619  -3.232
   52   2HB   ALA   8           HB3      ALA   8 -10.014 -13.524  -1.720
   53   3HB   ALA   8           HB2      ALA   8 -10.771 -11.932  -1.753
   54    H    GLU   9           HN       GLU   9  -7.727 -12.045  -4.234
   55    HA   GLU   9           HA       GLU   9  -6.308 -14.539  -4.014
   56   1HB   GLU   9           HB2      GLU   9  -5.846 -12.333  -6.040
   57   2HB   GLU   9           HB1      GLU   9  -5.466 -14.046  -6.227
   58   1HG   GLU   9           HG2      GLU   9  -7.554 -14.476  -6.943
   59   2HG   GLU   9           HG1      GLU   9  -8.235 -13.755  -5.484
   60    H    ALA  10           HN       ALA  10  -5.372 -11.169  -3.566
   61    HA   ALA  10           HA       ALA  10  -2.525 -11.682  -3.498
   62   1HB   ALA  10           HB3      ALA  10  -4.259  -9.401  -2.542
   63   2HB   ALA  10           HB2      ALA  10  -2.516  -9.417  -2.278
   64   3HB   ALA  10           HB1      ALA  10  -3.159  -9.431  -3.920
   65    H    ARG  11           HN       ARG  11  -5.031 -11.350  -0.981
   66    HA   ARG  11           HA       ARG  11  -3.302 -11.608   1.263
   67   1HB   ARG  11           HB2      ARG  11  -5.825 -11.018   1.187
   68   2HB   ARG  11           HB1      ARG  11  -6.088 -12.762   1.197
   69   1HG   ARG  11           HG2      ARG  11  -5.645 -12.885   3.401
   70   2HG   ARG  11           HG1      ARG  11  -4.126 -12.013   3.195
   71   1HD   ARG  11           HD2      ARG  11  -5.239 -10.467   4.489
   72   2HD   ARG  11           HD1      ARG  11  -5.806  -9.947   2.902
   73    HE   ARG  11           HE       ARG  11  -7.958 -10.778   3.448
   74   1HH1  ARG  11          HH21      ARG  11  -5.620 -12.487   5.254
   75   2HH1  ARG  11          HH22      ARG  11  -6.698 -12.892   6.548
   76   1HH2  ARG  11          HH11      ARG  11  -9.333 -11.020   5.293
   77   2HH2  ARG  11          HH12      ARG  11  -8.800 -12.061   6.570
   78    H    ALA  12           HN       ALA  12  -4.716 -14.020  -0.886
   79    HA   ALA  12           HA       ALA  12  -4.362 -16.372   0.584
   80   1HB   ALA  12           HB2      ALA  12  -5.301 -16.235  -1.738
   81   2HB   ALA  12           HB1      ALA  12  -3.659 -16.027  -2.347
   82   3HB   ALA  12           HB3      ALA  12  -4.118 -17.528  -1.544
   83    H    PHE  13           HN       PHE  13  -1.910 -14.694  -1.408
   84    HA   PHE  13           HA       PHE  13   0.211 -16.515  -0.716
   85   1HB   PHE  13           HB2      PHE  13   0.370 -15.092  -2.702
   86   2HB   PHE  13           HB1      PHE  13   0.320 -13.644  -1.695
   87    HD1  PHE  13           HD1      PHE  13   2.108 -16.823  -0.955
   88    HD2  PHE  13           HD2      PHE  13   2.468 -12.701  -2.108
   89    HE1  PHE  13           HE1      PHE  13   4.564 -16.950  -0.641
   90    HE2  PHE  13           HE2      PHE  13   4.925 -12.829  -1.794
   91    HZ   PHE  13           HZ       PHE  13   5.973 -14.954  -1.061
   92    H    LEU  14           HN       LEU  14  -0.752 -13.321   0.550
   93    HA   LEU  14           HA       LEU  14   1.334 -13.362   2.593
   94   1HB   LEU  14           HB2      LEU  14  -1.118 -11.594   2.315
   95   2HB   LEU  14           HB1      LEU  14   0.236 -11.310   3.411
   96    HG   LEU  14           HG       LEU  14   0.509 -11.526   0.400
   97   1HD1  LEU  14          HD11      LEU  14   0.053  -9.194   2.237
   98   2HD1  LEU  14          HD13      LEU  14   1.047  -8.979   0.797
   99   3HD1  LEU  14          HD12      LEU  14  -0.629  -9.503   0.641
  100   1HD2  LEU  14          HD21      LEU  14   2.399 -11.829   2.394
  101   2HD2  LEU  14          HD23      LEU  14   2.747 -11.340   0.736
  102   3HD2  LEU  14          HD22      LEU  14   2.541 -10.117   1.990
  103    H    SER  15           HN       SER  15   0.748 -15.483   3.523
  104    HA   SER  15           HA       SER  15  -1.685 -16.240   4.643
  105   1HB   SER  15           HB2      SER  15   1.146 -16.674   5.595
  106   2HB   SER  15           HB1      SER  15  -0.229 -17.372   6.445
  107    HG   SER  15           HG       SER  15  -0.783 -18.022   4.102
  108    H    GLU  16           HN       GLU  16  -2.025 -16.336   7.176
  109    HA   GLU  16           HA       GLU  16  -2.591 -13.690   8.068
  110   1HB   GLU  16           HB2      GLU  16  -2.865 -16.398   9.097
  111   2HB   GLU  16           HB1      GLU  16  -2.402 -15.273  10.373
  112   1HG   GLU  16           HG2      GLU  16  -4.481 -14.419  10.422
  113   2HG   GLU  16           HG1      GLU  16  -4.388 -14.033   8.703
  114    H    GLU  17           HN       GLU  17   0.268 -15.677   8.363
  115    HA   GLU  17           HA       GLU  17   1.455 -14.150  10.531
  116   1HB   GLU  17           HB2      GLU  17   2.030 -16.553   9.293
  117   2HB   GLU  17           HB1      GLU  17   3.322 -15.503   8.711
  118   1HG   GLU  17           HG2      GLU  17   4.100 -16.472  10.766
  119   2HG   GLU  17           HG1      GLU  17   3.684 -14.795  11.123
  120    H    MET  18           HN       MET  18   1.459 -13.939   7.013
  121    HA   MET  18           HA       MET  18   3.603 -11.973   6.904
  122   1HB   MET  18           HB2      MET  18   1.675 -13.182   4.979
  123   2HB   MET  18           HB1      MET  18   2.348 -11.607   4.556
  124   1HG   MET  18           HG2      MET  18   4.415 -13.361   5.585
  125   2HG   MET  18           HG1      MET  18   3.586 -14.106   4.218
  126   1HE   MET  18           HE2      MET  18   5.638 -11.354   5.661
  127   2HE   MET  18           HE1      MET  18   5.960 -10.202   4.367
  128   3HE   MET  18           HE3      MET  18   4.358 -10.275   5.115
  129    H    ILE  19           HN       ILE  19   0.042 -11.811   6.635
  130    HA   ILE  19           HA       ILE  19  -0.087  -8.963   6.366
  131    HB   ILE  19           HB       ILE  19  -2.186 -10.693   7.687
  132   1HG1  ILE  19          HG12      ILE  19  -2.420 -10.228   4.792
  133   2HG1  ILE  19          HG11      ILE  19  -1.054 -11.252   5.233
  134   1HG2  ILE  19          HG22      ILE  19  -2.545  -8.246   7.703
  135   2HG2  ILE  19          HG21      ILE  19  -2.348  -8.210   5.951
  136   3HG2  ILE  19          HG23      ILE  19  -3.718  -9.059   6.666
  137   1HD1  ILE  19          HD11      ILE  19  -3.865 -11.695   6.269
  138   2HD1  ILE  19          HD13      ILE  19  -3.221 -12.503   4.840
  139   3HD1  ILE  19          HD12      ILE  19  -2.486 -12.784   6.420
  140    H    ALA  20           HN       ALA  20  -0.206 -11.095   9.202
  141    HA   ALA  20           HA       ALA  20  -0.704  -9.084  11.155
  142   1HB   ALA  20           HB2      ALA  20  -0.759 -11.588  11.515
  143   2HB   ALA  20           HB1      ALA  20   1.004 -11.557  11.535
  144   3HB   ALA  20           HB3      ALA  20   0.093 -10.689  12.770
  145    H    GLU  21           HN       GLU  21   2.249 -10.097   9.526
  146    HA   GLU  21           HA       GLU  21   3.989  -8.527  11.276
  147   1HB   GLU  21           HB2      GLU  21   4.326 -10.513   9.260
  148   2HB   GLU  21           HB1      GLU  21   5.207  -9.077   8.736
  149   1HG   GLU  21           HG2      GLU  21   6.782 -10.208  10.069
  150   2HG   GLU  21           HG1      GLU  21   6.104  -9.015  11.177
  151    H    PHE  22           HN       PHE  22   2.213  -8.027   8.305
  152    HA   PHE  22           HA       PHE  22   3.644  -5.665   7.453
  153   1HB   PHE  22           HB2      PHE  22   1.262  -7.159   6.639
  154   2HB   PHE  22           HB1      PHE  22   1.064  -5.417   6.459
  155    HD1  PHE  22           HD2      PHE  22   3.137  -4.154   5.401
  156    HD2  PHE  22           HD1      PHE  22   2.329  -8.347   4.934
  157    HE1  PHE  22           HE2      PHE  22   4.547  -4.198   3.363
  158    HE2  PHE  22           HE1      PHE  22   3.739  -8.391   2.894
  159    HZ   PHE  22           HZ       PHE  22   4.848  -6.317   2.109
  160    H    LYS  23           HN       LYS  23   0.909  -6.258   9.597
  161    HA   LYS  23           HA       LYS  23  -0.164  -3.682   9.841
  162   1HB   LYS  23           HB2      LYS  23  -0.614  -6.033  11.101
  163   2HB   LYS  23           HB1      LYS  23   0.240  -5.169  12.380
  164   1HG   LYS  23           HG2      LYS  23  -1.374  -3.206  11.820
  165   2HG   LYS  23           HG1      LYS  23  -2.347  -4.441  11.020
  166   1HD   LYS  23           HD2      LYS  23  -1.412  -4.574  13.902
  167   2HD   LYS  23           HD1      LYS  23  -3.032  -4.100  13.389
  168   1HE   LYS  23           HE2      LYS  23  -3.644  -6.258  13.225
  169   2HE   LYS  23           HE1      LYS  23  -2.325  -6.568  12.097
  170   1HZ   LYS  23           HZ2      LYS  23  -1.030  -6.401  14.442
  171   2HZ   LYS  23           HZ1      LYS  23  -2.496  -7.109  14.927
  172   3HZ   LYS  23           HZ3      LYS  23  -1.550  -7.856  13.735
  173    H    ALA  24           HN       ALA  24   2.588  -5.054  11.670
  174    HA   ALA  24           HA       ALA  24   3.223  -2.989  13.375
  175   1HB   ALA  24           HB2      ALA  24   5.136  -4.588  11.653
  176   2HB   ALA  24           HB1      ALA  24   5.632  -3.594  13.023
  177   3HB   ALA  24           HB3      ALA  24   4.588  -4.994  13.278
  178    H    ALA  25           HN       ALA  25   3.828  -3.044   9.875
  179    HA   ALA  25           HA       ALA  25   5.122  -0.402   9.985
  180   1HB   ALA  25           HB1      ALA  25   5.122  -2.575   8.171
  181   2HB   ALA  25           HB3      ALA  25   4.397  -1.212   7.317
  182   3HB   ALA  25           HB2      ALA  25   6.005  -1.056   8.024
  183    H    PHE  26           HN       PHE  26   1.991  -1.778   9.134
  184    HA   PHE  26           HA       PHE  26   0.884   0.454   7.770
  185   1HB   PHE  26           HB2      PHE  26  -0.279  -1.678   7.807
  186   2HB   PHE  26           HB1      PHE  26  -0.436  -1.605   9.562
  187    HD1  PHE  26           HD1      PHE  26  -0.963   0.957   6.874
  188    HD2  PHE  26           HD2      PHE  26  -2.685  -1.280  10.112
  189    HE1  PHE  26           HE1      PHE  26  -3.075   2.234   6.632
  190    HE2  PHE  26           HE2      PHE  26  -4.798  -0.002   9.870
  191    HZ   PHE  26           HZ       PHE  26  -4.992   1.755   8.130
  192    H    ASP  27           HN       ASP  27   0.372  -0.417  11.212
  193    HA   ASP  27           HA       ASP  27  -0.860   1.989  11.995
  194   1HB   ASP  27           HB2      ASP  27   0.988   0.174  13.573
  195   2HB   ASP  27           HB1      ASP  27   0.008   1.454  14.290
  196    H    MET  28           HN       MET  28   2.628   1.180  12.102
  197    HA   MET  28           HA       MET  28   3.674   3.512  13.165
  198   1HB   MET  28           HB2      MET  28   4.931   1.473  12.229
  199   2HB   MET  28           HB1      MET  28   4.849   2.286  10.666
  200   1HG   MET  28           HG2      MET  28   5.699   4.272  12.446
  201   2HG   MET  28           HG1      MET  28   6.595   2.829  12.927
  202   1HE   MET  28           HE3      MET  28   7.513   5.357  12.160
  203   2HE   MET  28           HE2      MET  28   9.023   4.759  11.477
  204   3HE   MET  28           HE1      MET  28   7.949   5.748  10.491
  205    H    PHE  29           HN       PHE  29   2.920   3.023   9.695
  206    HA   PHE  29           HA       PHE  29   3.556   5.507   8.666
  207   1HB   PHE  29           HB2      PHE  29   0.950   4.077   8.074
  208   2HB   PHE  29           HB1      PHE  29   1.822   5.177   7.006
  209    HD1  PHE  29           HD1      PHE  29   4.629   4.111   7.855
  210    HD2  PHE  29           HD2      PHE  29   1.025   2.186   6.529
  211    HE1  PHE  29           HE1      PHE  29   5.964   2.209   6.988
  212    HE2  PHE  29           HE2      PHE  29   2.360   0.284   5.661
  213    HZ   PHE  29           HZ       PHE  29   4.830   0.297   5.890
  214    H    ASP  30           HN       ASP  30   0.211   4.812   9.739
  215    HA   ASP  30           HA       ASP  30  -0.197   7.688  10.228
  216   1HB   ASP  30           HB2      ASP  30  -1.858   5.496   9.537
  217   2HB   ASP  30           HB1      ASP  30  -2.389   6.048  11.126
  218    H    ALA  31           HN       ALA  31   0.922   8.255  12.097
  219    HA   ALA  31           HA       ALA  31   0.637   6.550  14.501
  220   1HB   ALA  31           HB1      ALA  31   2.858   7.521  13.897
  221   2HB   ALA  31           HB3      ALA  31   2.184   9.132  14.135
  222   3HB   ALA  31           HB2      ALA  31   2.310   8.020  15.497
  223    H    ASP  32           HN       ASP  32  -0.123   9.864  13.422
  224    HA   ASP  32           HA       ASP  32  -1.171  10.992  15.715
  225   1HB   ASP  32           HB2      ASP  32  -1.412  11.472  12.945
  226   2HB   ASP  32           HB1      ASP  32  -3.061  11.412  13.567
  227    H    GLY  33           HN       GLY  33  -2.854   8.680  13.577
  228   1HA   GLY  33           HA2      GLY  33  -4.173   6.965  14.983
  229   2HA   GLY  33           HA1      GLY  33  -4.928   8.385  15.708
  230    H    GLY  34           HN       GLY  34  -4.346   6.926  12.493
  231   1HA   GLY  34           HA2      GLY  34  -7.117   7.764  11.762
  232   2HA   GLY  34           HA1      GLY  34  -5.782   8.058  10.648
  233    H    GLY  35           HN       GLY  35  -4.397   5.927  10.306
  234   1HA   GLY  35           HA2      GLY  35  -4.436   3.506  10.048
  235   2HA   GLY  35           HA1      GLY  35  -6.193   3.554  10.188
  236    H    ASP  36           HN       ASP  36  -4.044   5.513   8.125
  237    HA   ASP  36           HA       ASP  36  -4.961   4.091   5.720
  238   1HB   ASP  36           HB2      ASP  36  -6.360   6.389   6.652
  239   2HB   ASP  36           HB1      ASP  36  -5.444   6.878   5.226
  240    H    ILE  37           HN       ILE  37  -3.454   4.313   4.064
  241    HA   ILE  37           HA       ILE  37  -1.183   6.177   4.636
  242    HB   ILE  37           HB       ILE  37  -0.767   4.000   2.671
  243   1HG1  ILE  37          HG12      ILE  37  -0.264   2.596   4.949
  244   2HG1  ILE  37          HG11      ILE  37  -1.710   3.479   5.438
  245   1HG2  ILE  37          HG22      ILE  37   0.820   5.762   3.991
  246   2HG2  ILE  37          HG21      ILE  37   0.943   4.369   5.065
  247   3HG2  ILE  37          HG23      ILE  37   1.398   4.216   3.369
  248   1HD1  ILE  37          HD12      ILE  37  -2.084   2.507   2.763
  249   2HD1  ILE  37          HD11      ILE  37  -1.559   1.170   3.785
  250   3HD1  ILE  37          HD13      ILE  37  -2.997   2.098   4.216
  251    H    SER  38           HN       SER  38  -0.553   7.602   3.016
  252    HA   SER  38           HA       SER  38  -1.969   7.385   0.398
  253   1HB   SER  38           HB2      SER  38  -1.511  10.123   1.439
  254   2HB   SER  38           HB1      SER  38  -2.872   9.480   0.523
  255    HG   SER  38           HG       SER  38  -3.596   9.847   2.579
  256    H    THR  39           HN       THR  39  -0.894   8.933  -1.235
  257    HA   THR  39           HA       THR  39   1.880   8.303  -1.434
  258    HB   THR  39           HB       THR  39   0.768   8.795  -3.469
  259    HG1  THR  39           HG1      THR  39   2.191  11.158  -2.821
  260   1HG2  THR  39          HG22      THR  39  -0.607  10.707  -1.835
  261   2HG2  THR  39          HG21      THR  39   0.031  11.533  -3.257
  262   3HG2  THR  39          HG23      THR  39  -1.031  10.138  -3.449
  263    H    LYS  40           HN       LYS  40   0.198  10.963   0.080
  264    HA   LYS  40           HA       LYS  40   2.506  12.716   0.247
  265   1HB   LYS  40           HB2      LYS  40   0.166  13.541   0.414
  266   2HB   LYS  40           HB1      LYS  40  -0.007  12.679   1.944
  267   1HG   LYS  40           HG2      LYS  40   1.949  13.987   2.827
  268   2HG   LYS  40           HG1      LYS  40   1.921  14.936   1.340
  269   1HD   LYS  40           HD2      LYS  40   0.669  16.042   3.188
  270   2HD   LYS  40           HD1      LYS  40  -0.364  15.665   1.809
  271   1HE   LYS  40           HE2      LYS  40  -1.510  14.020   2.938
  272   2HE   LYS  40           HE1      LYS  40  -0.117  13.583   3.928
  273   1HZ   LYS  40           HZ1      LYS  40  -1.526  16.165   4.240
  274   2HZ   LYS  40           HZ3      LYS  40  -1.999  14.773   5.084
  275   3HZ   LYS  40           HZ2      LYS  40  -0.446  15.420   5.318
  276    H    GLU  41           HN       GLU  41   1.061  10.262   2.364
  277    HA   GLU  41           HA       GLU  41   3.029  10.818   4.483
  278   1HB   GLU  41           HB2      GLU  41   0.550   9.996   4.751
  279   2HB   GLU  41           HB1      GLU  41   1.239   8.403   4.437
  280   1HG   GLU  41           HG2      GLU  41   1.160   8.907   6.867
  281   2HG   GLU  41           HG1      GLU  41   2.816   8.694   6.296
  282    H    LEU  42           HN       LEU  42   2.147   7.785   2.781
  283    HA   LEU  42           HA       LEU  42   4.572   6.447   3.390
  284   1HB   LEU  42           HB2      LEU  42   3.895   4.791   1.848
  285   2HB   LEU  42           HB1      LEU  42   2.377   5.492   2.406
  286    HG   LEU  42           HG       LEU  42   3.002   7.127   0.284
  287   1HD1  LEU  42          HD12      LEU  42   4.140   4.384  -0.170
  288   2HD1  LEU  42          HD11      LEU  42   3.424   5.263  -1.522
  289   3HD1  LEU  42          HD13      LEU  42   4.792   5.951  -0.646
  290   1HD2  LEU  42          HD21      LEU  42   1.408   4.543   0.287
  291   2HD2  LEU  42          HD23      LEU  42   0.806   6.136   0.743
  292   3HD2  LEU  42          HD22      LEU  42   1.264   5.811  -0.929
  293    H    GLY  43           HN       GLY  43   3.993   9.026   1.219
  294   1HA   GLY  43           HA2      GLY  43   6.115   8.406  -0.668
  295   2HA   GLY  43           HA1      GLY  43   5.297   9.959  -0.510
  296    H    THR  44           HN       THR  44   5.869  10.386   2.271
  297    HA   THR  44           HA       THR  44   8.644  11.302   1.996
  298    HB   THR  44           HB       THR  44   7.912  11.894   4.578
  299    HG1  THR  44           HG1      THR  44   5.677  12.655   4.168
  300   1HG2  THR  44          HG23      THR  44   8.116  13.224   2.020
  301   2HG2  THR  44          HG22      THR  44   6.813  13.934   2.973
  302   3HG2  THR  44          HG21      THR  44   8.447  13.861   3.631
  303    H    VAL  45           HN       VAL  45   6.853   9.016   4.057
  304    HA   VAL  45           HA       VAL  45   8.865   8.265   5.842
  305    HB   VAL  45           HB       VAL  45   6.736   6.595   4.486
  306   1HG1  VAL  45          HG11      VAL  45   8.660   5.182   5.230
  307   2HG1  VAL  45          HG13      VAL  45   8.469   5.836   6.858
  308   3HG1  VAL  45          HG12      VAL  45   7.185   4.863   6.142
  309   1HG2  VAL  45          HG23      VAL  45   6.927   8.349   6.846
  310   2HG2  VAL  45          HG22      VAL  45   5.504   7.834   5.940
  311   3HG2  VAL  45          HG21      VAL  45   6.190   6.782   7.178
  312    H    MET  46           HN       MET  46   8.449   7.238   2.465
  313    HA   MET  46           HA       MET  46  10.809   5.478   2.667
  314   1HB   MET  46           HB2      MET  46   9.198   6.188   0.202
  315   2HB   MET  46           HB1      MET  46  10.282   4.812   0.411
  316   1HG   MET  46           HG2      MET  46   8.664   4.330   2.481
  317   2HG   MET  46           HG1      MET  46   7.527   5.235   1.483
  318   1HE   MET  46           HE2      MET  46   6.288   4.620   0.110
  319   2HE   MET  46           HE1      MET  46   6.937   4.040  -1.421
  320   3HE   MET  46           HE3      MET  46   5.941   2.976  -0.419
  321    H    ARG  47           HN       ARG  47   9.875   8.508   1.033
  322    HA   ARG  47           HA       ARG  47  12.322   8.887  -0.386
  323   1HB   ARG  47           HB2      ARG  47   9.978  10.233  -0.302
  324   2HB   ARG  47           HB1      ARG  47  10.963  11.300   0.695
  325   1HG   ARG  47           HG2      ARG  47  12.668  11.366  -1.124
  326   2HG   ARG  47           HG1      ARG  47  11.609  10.375  -2.128
  327   1HD   ARG  47           HD2      ARG  47  11.359  12.781  -2.646
  328   2HD   ARG  47           HD1      ARG  47   9.864  12.112  -1.992
  329    HE   ARG  47           HE       ARG  47  10.115  13.879  -0.441
  330   1HH1  ARG  47          HH11      ARG  47  13.053  14.221  -1.589
  331   2HH1  ARG  47          HH12      ARG  47  13.931  14.180  -0.097
  332   1HH2  ARG  47          HH21      ARG  47  11.262  12.958   1.750
  333   2HH2  ARG  47          HH22      ARG  47  12.919  13.464   1.792
  334    H    MET  48           HN       MET  48  11.683   8.939   2.961
  335    HA   MET  48           HA       MET  48  13.702  10.886   3.723
  336   1HB   MET  48           HB2      MET  48  12.031   8.848   5.147
  337   2HB   MET  48           HB1      MET  48  13.450   9.499   5.970
  338   1HG   MET  48           HG2      MET  48  12.259  11.756   4.884
  339   2HG   MET  48           HG1      MET  48  10.882  10.783   5.398
  340   1HE   MET  48           HE2      MET  48  10.763   9.540   7.297
  341   2HE   MET  48           HE1      MET  48  11.533   9.790   8.862
  342   3HE   MET  48           HE3      MET  48  10.200  10.836   8.351
  343    H    LEU  49           HN       LEU  49  13.705   7.435   4.626
  344    HA   LEU  49           HA       LEU  49  16.413   7.112   5.076
  345   1HB   LEU  49           HB2      LEU  49  16.098   4.726   4.259
  346   2HB   LEU  49           HB1      LEU  49  14.930   5.261   5.469
  347    HG   LEU  49           HG       LEU  49  13.612   6.029   3.257
  348   1HD1  LEU  49          HD12      LEU  49  15.758   4.333   2.318
  349   2HD1  LEU  49          HD11      LEU  49  14.199   3.583   1.977
  350   3HD1  LEU  49          HD13      LEU  49  14.545   5.206   1.380
  351   1HD2  LEU  49          HD22      LEU  49  13.029   4.357   5.167
  352   2HD2  LEU  49          HD21      LEU  49  12.208   4.167   3.618
  353   3HD2  LEU  49          HD23      LEU  49  13.560   3.114   4.033
  354    H    GLY  50           HN       GLY  50  14.791   7.386   1.982
  355   1HA   GLY  50           HA2      GLY  50  17.462   7.562   0.671
  356   2HA   GLY  50           HA1      GLY  50  16.196   6.563  -0.057
  357    H    GLN  51           HN       GLN  51  15.062   7.626  -1.628
  358    HA   GLN  51           HA       GLN  51  13.736  10.036  -1.164
  359   1HB   GLN  51           HB2      GLN  51  16.275  10.775  -1.304
  360   2HB   GLN  51           HB1      GLN  51  15.915  10.772  -3.036
  361   1HG   GLN  51           HG2      GLN  51  13.866  12.109  -2.572
  362   2HG   GLN  51           HG1      GLN  51  14.354  12.212  -0.880
  363   1HE2  GLN  51          HE22      GLN  51  15.898  14.838  -3.474
  364   2HE2  GLN  51          HE21      GLN  51  14.543  13.870  -3.806
  365    H    ASN  52           HN       ASN  52  14.890   7.686  -3.400
  366    HA   ASN  52           HA       ASN  52  14.001   8.517  -5.843
  367   1HB   ASN  52           HB2      ASN  52  14.057   5.908  -4.480
  368   2HB   ASN  52           HB1      ASN  52  12.916   6.008  -5.822
  369   1HD2  ASN  52          HD22      ASN  52  15.438   5.923  -8.278
  370   2HD2  ASN  52          HD21      ASN  52  13.778   5.882  -7.923
  371    HA   PRO  53           HA       PRO  53   9.453   7.666  -4.680
  372   1HB   PRO  53           HB2      PRO  53   8.930   7.741  -1.980
  373   2HB   PRO  53           HB1      PRO  53   9.180   6.260  -2.914
  374   1HG   PRO  53           HG2      PRO  53  11.037   7.653  -1.047
  375   2HG   PRO  53           HG1      PRO  53  10.893   5.923  -1.401
  376   1HD   PRO  53           HD2      PRO  53  12.863   7.551  -2.412
  377   2HD   PRO  53           HD1      PRO  53  12.348   6.043  -3.179
  378    H    THR  54           HN       THR  54   9.615   9.843  -5.549
  379    HA   THR  54           HA       THR  54   9.948  12.166  -3.866
  380    HB   THR  54           HB       THR  54   8.472  12.075  -6.496
  381    HG1  THR  54           HG1      THR  54  11.187  11.778  -5.893
  382   1HG2  THR  54          HG22      THR  54   9.779  14.137  -4.796
  383   2HG2  THR  54          HG21      THR  54   9.946  14.315  -6.544
  384   3HG2  THR  54          HG23      THR  54   8.343  14.260  -5.812
  385    H    LYS  55           HN       LYS  55   8.201  13.725  -3.371
  386    HA   LYS  55           HA       LYS  55   5.948  12.531  -2.127
  387   1HB   LYS  55           HB2      LYS  55   6.647  14.781  -1.512
  388   2HB   LYS  55           HB1      LYS  55   6.339  15.359  -3.151
  389   1HG   LYS  55           HG2      LYS  55   3.968  14.070  -2.242
  390   2HG   LYS  55           HG1      LYS  55   4.496  15.168  -0.966
  391   1HD   LYS  55           HD2      LYS  55   4.665  17.000  -2.619
  392   2HD   LYS  55           HD1      LYS  55   4.110  15.902  -3.884
  393   1HE   LYS  55           HE2      LYS  55   2.411  16.053  -1.453
  394   2HE   LYS  55           HE1      LYS  55   2.430  17.490  -2.476
  395   1HZ   LYS  55           HZ3      LYS  55   2.112  14.848  -3.718
  396   2HZ   LYS  55           HZ2      LYS  55   0.774  15.570  -2.958
  397   3HZ   LYS  55           HZ1      LYS  55   1.552  16.359  -4.246
  398    H    GLU  56           HN       GLU  56   6.464  13.750  -5.376
  399    HA   GLU  56           HA       GLU  56   3.634  13.322  -6.073
  400   1HB   GLU  56           HB2      GLU  56   4.241  14.231  -8.255
  401   2HB   GLU  56           HB1      GLU  56   4.913  15.268  -6.996
  402   1HG   GLU  56           HG2      GLU  56   6.909  15.004  -8.020
  403   2HG   GLU  56           HG1      GLU  56   6.893  13.353  -7.399
  404    H    GLU  57           HN       GLU  57   6.656  11.662  -6.173
  405    HA   GLU  57           HA       GLU  57   6.140   9.893  -8.373
  406   1HB   GLU  57           HB2      GLU  57   8.378  10.236  -7.279
  407   2HB   GLU  57           HB1      GLU  57   7.786   9.320  -5.892
  408   1HG   GLU  57           HG2      GLU  57   9.083   7.917  -7.510
  409   2HG   GLU  57           HG1      GLU  57   7.427   7.355  -7.281
  410    H    LEU  58           HN       LEU  58   4.986   9.992  -5.087
  411    HA   LEU  58           HA       LEU  58   4.049   7.203  -5.188
  412   1HB   LEU  58           HB2      LEU  58   3.975   9.395  -3.130
  413   2HB   LEU  58           HB1      LEU  58   2.916   7.995  -2.963
  414    HG   LEU  58           HG       LEU  58   4.943   7.519  -1.746
  415   1HD1  LEU  58          HD12      LEU  58   3.915   5.819  -3.504
  416   2HD1  LEU  58          HD11      LEU  58   5.473   6.048  -4.299
  417   3HD1  LEU  58          HD13      LEU  58   5.408   5.435  -2.646
  418   1HD2  LEU  58          HD22      LEU  58   6.135   9.103  -3.767
  419   2HD2  LEU  58          HD21      LEU  58   6.931   8.381  -2.369
  420   3HD2  LEU  58          HD23      LEU  58   6.868   7.504  -3.898
  421    H    ASP  59           HN       ASP  59   2.937  10.301  -6.095
  422    HA   ASP  59           HA       ASP  59   0.100   9.842  -5.728
  423   1HB   ASP  59           HB2      ASP  59   1.477  12.068  -6.192
  424   2HB   ASP  59           HB1      ASP  59   1.130  11.660  -7.873
  425    H    ALA  60           HN       ALA  60   2.435   8.799  -8.049
  426    HA   ALA  60           HA       ALA  60   0.611   8.386 -10.256
  427   1HB   ALA  60           HB2      ALA  60   3.418   7.822  -9.651
  428   2HB   ALA  60           HB1      ALA  60   2.651   6.530 -10.577
  429   3HB   ALA  60           HB3      ALA  60   2.656   8.181 -11.200
  430    H    ILE  61           HN       ILE  61   1.826   6.305  -7.628
  431    HA   ILE  61           HA       ILE  61   0.342   3.980  -8.560
  432    HB   ILE  61           HB       ILE  61   1.079   4.237  -5.679
  433   1HG1  ILE  61          HG12      ILE  61   3.429   3.389  -6.952
  434   2HG1  ILE  61          HG11      ILE  61   2.941   4.840  -7.827
  435   1HG2  ILE  61          HG22      ILE  61   0.911   2.168  -7.798
  436   2HG2  ILE  61          HG21      ILE  61   2.162   1.941  -6.574
  437   3HG2  ILE  61          HG23      ILE  61   0.470   2.076  -6.092
  438   1HD1  ILE  61          HD11      ILE  61   2.659   6.005  -5.633
  439   2HD1  ILE  61          HD13      ILE  61   3.301   4.572  -4.833
  440   3HD1  ILE  61          HD12      ILE  61   4.320   5.496  -5.935
  441    H    ILE  62           HN       ILE  62  -0.197   6.586  -6.239
  442    HA   ILE  62           HA       ILE  62  -2.643   5.481  -5.175
  443    HB   ILE  62           HB       ILE  62  -1.314   8.183  -5.097
  444   1HG1  ILE  62          HG12      ILE  62  -0.668   6.205  -3.620
  445   2HG1  ILE  62          HG11      ILE  62  -1.090   7.688  -2.764
  446   1HG2  ILE  62          HG22      ILE  62  -4.167   7.534  -4.541
  447   2HG2  ILE  62          HG21      ILE  62  -3.339   8.549  -3.361
  448   3HG2  ILE  62          HG23      ILE  62  -3.440   9.058  -5.046
  449   1HD1  ILE  62          HD12      ILE  62  -3.366   5.885  -3.334
  450   2HD1  ILE  62          HD11      ILE  62  -2.177   5.249  -2.198
  451   3HD1  ILE  62          HD13      ILE  62  -2.981   6.783  -1.865
  452    H    GLU  63           HN       GLU  63  -1.825   7.103  -8.091
  453    HA   GLU  63           HA       GLU  63  -4.507   8.174  -8.583
  454   1HB   GLU  63           HB2      GLU  63  -2.329   9.137  -9.515
  455   2HB   GLU  63           HB1      GLU  63  -2.312   7.765 -10.625
  456   1HG   GLU  63           HG2      GLU  63  -4.617   8.418 -11.374
  457   2HG   GLU  63           HG1      GLU  63  -4.482   9.867 -10.376
  458    H    GLU  64           HN       GLU  64  -2.962   5.137  -8.916
  459    HA   GLU  64           HA       GLU  64  -4.583   4.203 -11.163
  460   1HB   GLU  64           HB2      GLU  64  -3.535   2.069 -10.795
  461   2HB   GLU  64           HB1      GLU  64  -2.293   3.296 -10.547
  462   1HG   GLU  64           HG2      GLU  64  -1.937   2.437  -8.497
  463   2HG   GLU  64           HG1      GLU  64  -3.555   2.973  -8.046
  464    H    VAL  65           HN       VAL  65  -5.175   4.735  -7.873
  465    HA   VAL  65           HA       VAL  65  -7.623   3.049  -8.056
  466    HB   VAL  65           HB       VAL  65  -7.101   2.758  -5.431
  467   1HG1  VAL  65          HG12      VAL  65  -6.430   1.153  -7.854
  468   2HG1  VAL  65          HG11      VAL  65  -5.782   0.596  -6.310
  469   3HG1  VAL  65          HG13      VAL  65  -7.524   0.777  -6.523
  470   1HG2  VAL  65          HG21      VAL  65  -4.791   3.972  -6.187
  471   2HG2  VAL  65          HG23      VAL  65  -4.882   2.819  -4.855
  472   3HG2  VAL  65          HG22      VAL  65  -4.351   2.284  -6.450
  473    H    ASP  66           HN       ASP  66  -5.953   5.454  -5.982
  474    HA   ASP  66           HA       ASP  66  -8.315   6.479  -4.778
  475   1HB   ASP  66           HB2      ASP  66  -5.992   6.959  -3.999
  476   2HB   ASP  66           HB1      ASP  66  -5.767   8.005  -5.399
  477    H    GLU  67           HN       GLU  67  -6.880   9.151  -6.336
  478    HA   GLU  67           HA       GLU  67  -8.262   9.197  -8.818
  479   1HB   GLU  67           HB2      GLU  67  -9.876   9.806  -6.437
  480   2HB   GLU  67           HB1      GLU  67  -9.927  11.071  -7.665
  481   1HG   GLU  67           HG2      GLU  67 -11.158   9.797  -9.068
  482   2HG   GLU  67           HG1      GLU  67 -10.125   8.388  -8.817
  483    H    ASP  68           HN       ASP  68  -8.312  11.735  -6.319
  484    HA   ASP  68           HA       ASP  68  -6.209  13.168  -7.887
  485   1HB   ASP  68           HB2      ASP  68  -8.873  13.929  -7.681
  486   2HB   ASP  68           HB1      ASP  68  -8.071  14.914  -6.457
  487    H    GLY  69           HN       GLY  69  -7.108  11.882  -4.904
  488   1HA   GLY  69           HA2      GLY  69  -5.071  12.048  -3.313
  489   2HA   GLY  69           HA1      GLY  69  -5.339  13.788  -3.433
  490    H    SER  70           HN       SER  70  -7.654  11.090  -3.086
  491    HA   SER  70           HA       SER  70  -8.376  12.079  -0.389
  492   1HB   SER  70           HB2      SER  70  -9.816  12.955  -2.582
  493   2HB   SER  70           HB1      SER  70 -10.743  11.555  -2.050
  494    HG   SER  70           HG       SER  70 -11.006  12.478  -0.077
  495    H    GLY  71           HN       GLY  71  -9.389   9.808  -2.963
  496   1HA   GLY  71           HA2      GLY  71 -10.188   7.800  -0.998
  497   2HA   GLY  71           HA1      GLY  71 -10.172   7.587  -2.749
  498    H    THR  72           HN       THR  72  -7.995   7.786   0.061
  499    HA   THR  72           HA       THR  72  -5.766   6.598  -1.415
  500    HB   THR  72           HB       THR  72  -4.507   7.034   0.466
  501    HG1  THR  72           HG1      THR  72  -5.867   7.000   2.585
  502   1HG2  THR  72          HG21      THR  72  -6.266   8.978  -0.089
  503   2HG2  THR  72          HG23      THR  72  -6.747   8.637   1.573
  504   3HG2  THR  72          HG22      THR  72  -5.086   9.114   1.216
  505    H    ILE  73           HN       ILE  73  -4.968   4.826   0.809
  506    HA   ILE  73           HA       ILE  73  -7.103   2.786   0.670
  507    HB   ILE  73           HB       ILE  73  -4.940   1.182   0.381
  508   1HG1  ILE  73          HG12      ILE  73  -3.571   2.244  -1.473
  509   2HG1  ILE  73          HG11      ILE  73  -4.325   3.781  -1.051
  510   1HG2  ILE  73          HG22      ILE  73  -7.181   1.793  -1.067
  511   2HG2  ILE  73          HG21      ILE  73  -5.908   2.276  -2.189
  512   3HG2  ILE  73          HG23      ILE  73  -5.963   0.623  -1.577
  513   1HD1  ILE  73          HD13      ILE  73  -2.801   2.042   0.908
  514   2HD1  ILE  73          HD12      ILE  73  -2.108   3.430   0.067
  515   3HD1  ILE  73          HD11      ILE  73  -3.435   3.660   1.206
  516    H    ASP  74           HN       ASP  74  -6.880   1.102   2.314
  517    HA   ASP  74           HA       ASP  74  -5.496   2.134   4.731
  518   1HB   ASP  74           HB2      ASP  74  -7.240  -0.307   4.747
  519   2HB   ASP  74           HB1      ASP  74  -7.037   0.929   5.990
  520    H    PHE  75           HN       PHE  75  -5.569  -0.733   5.794
  521    HA   PHE  75           HA       PHE  75  -2.931  -1.471   4.693
  522   1HB   PHE  75           HB2      PHE  75  -2.524  -2.459   6.709
  523   2HB   PHE  75           HB1      PHE  75  -3.884  -1.485   7.249
  524    HD1  PHE  75           HD2      PHE  75  -6.277  -2.679   6.532
  525    HD2  PHE  75           HD1      PHE  75  -2.569  -4.669   7.395
  526    HE1  PHE  75           HE2      PHE  75  -7.519  -4.752   7.096
  527    HE2  PHE  75           HE1      PHE  75  -3.809  -6.740   7.958
  528    HZ   PHE  75           HZ       PHE  75  -6.285  -6.781   7.808
  529    H    GLU  76           HN       GLU  76  -6.251  -2.552   4.648
  530    HA   GLU  76           HA       GLU  76  -5.663  -5.200   3.591
  531   1HB   GLU  76           HB2      GLU  76  -7.757  -4.902   4.745
  532   2HB   GLU  76           HB1      GLU  76  -8.199  -3.545   3.707
  533   1HG   GLU  76           HG2      GLU  76  -8.805  -4.900   1.960
  534   2HG   GLU  76           HG1      GLU  76  -7.576  -6.109   2.334
  535    H    GLU  77           HN       GLU  77  -7.285  -2.380   2.078
  536    HA   GLU  77           HA       GLU  77  -7.007  -3.373  -0.587
  537   1HB   GLU  77           HB2      GLU  77  -7.427  -0.596   0.535
  538   2HB   GLU  77           HB1      GLU  77  -7.344  -0.903  -1.201
  539   1HG   GLU  77           HG2      GLU  77  -9.110  -2.802  -0.586
  540   2HG   GLU  77           HG1      GLU  77  -9.436  -1.723   0.771
  541    H    PHE  78           HN       PHE  78  -4.713  -1.992   1.558
  542    HA   PHE  78           HA       PHE  78  -2.947  -0.976  -0.557
  543   1HB   PHE  78           HB2      PHE  78  -2.831   0.174   1.551
  544   2HB   PHE  78           HB1      PHE  78  -2.610  -1.337   2.432
  545    HD1  PHE  78           HD2      PHE  78  -0.991  -0.550  -0.803
  546    HD2  PHE  78           HD1      PHE  78  -0.488  -0.813   3.454
  547    HE1  PHE  78           HE2      PHE  78   1.465  -0.355  -1.081
  548    HE2  PHE  78           HE1      PHE  78   1.969  -0.618   3.177
  549    HZ   PHE  78           HZ       PHE  78   2.946  -0.391   0.908
  550    H    LEU  79           HN       LEU  79  -3.344  -3.914   1.324
  551    HA   LEU  79           HA       LEU  79  -0.768  -5.058   0.760
  552   1HB   LEU  79           HB2      LEU  79  -3.446  -6.300   1.437
  553   2HB   LEU  79           HB1      LEU  79  -1.966  -7.243   1.258
  554    HG   LEU  79           HG       LEU  79  -1.898  -4.846   3.044
  555   1HD1  LEU  79          HD11      LEU  79  -3.975  -6.018   3.693
  556   2HD1  LEU  79          HD13      LEU  79  -3.077  -7.531   3.826
  557   3HD1  LEU  79          HD12      LEU  79  -2.731  -6.200   4.930
  558   1HD2  LEU  79          HD23      LEU  79   0.040  -6.461   2.403
  559   2HD2  LEU  79          HD22      LEU  79  -0.162  -6.039   4.103
  560   3HD2  LEU  79          HD21      LEU  79  -0.743  -7.593   3.505
  561    H    VAL  80           HN       VAL  80  -3.826  -4.993  -1.007
  562    HA   VAL  80           HA       VAL  80  -3.024  -6.950  -2.990
  563    HB   VAL  80           HB       VAL  80  -5.394  -6.452  -2.610
  564   1HG1  VAL  80          HG13      VAL  80  -4.577  -3.677  -3.504
  565   2HG1  VAL  80          HG12      VAL  80  -6.255  -4.215  -3.445
  566   3HG1  VAL  80          HG11      VAL  80  -5.302  -4.139  -1.964
  567   1HG2  VAL  80          HG23      VAL  80  -4.316  -6.940  -4.986
  568   2HG2  VAL  80          HG22      VAL  80  -6.029  -6.545  -4.846
  569   3HG2  VAL  80          HG21      VAL  80  -4.875  -5.303  -5.331
  570    H    MET  81           HN       MET  81  -2.767  -3.440  -2.701
  571    HA   MET  81           HA       MET  81  -1.942  -2.967  -5.419
  572   1HB   MET  81           HB2      MET  81  -2.770  -1.162  -3.956
  573   2HB   MET  81           HB1      MET  81  -1.363  -1.363  -2.910
  574   1HG   MET  81           HG2      MET  81   0.089  -0.886  -4.921
  575   2HG   MET  81           HG1      MET  81  -1.378  -0.471  -5.804
  576   1HE   MET  81           HE1      MET  81   0.355  -0.298  -2.649
  577   2HE   MET  81           HE3      MET  81   1.182   1.245  -2.897
  578   3HE   MET  81           HE2      MET  81  -0.199   1.147  -1.809
  579    H    MET  82           HN       MET  82  -0.294  -4.167  -2.601
  580    HA   MET  82           HA       MET  82   2.381  -3.587  -3.665
  581   1HB   MET  82           HB2      MET  82   1.348  -5.099  -1.261
  582   2HB   MET  82           HB1      MET  82   3.054  -5.135  -1.710
  583   1HG   MET  82           HG2      MET  82   1.703  -2.472  -1.559
  584   2HG   MET  82           HG1      MET  82   2.108  -3.282  -0.045
  585   1HE   MET  82           HE1      MET  82   4.147  -4.817  -0.172
  586   2HE   MET  82           HE3      MET  82   5.765  -4.258  -0.617
  587   3HE   MET  82           HE2      MET  82   4.940  -3.562   0.776
  588    H    VAL  83           HN       VAL  83   0.471  -6.547  -3.030
  589    HA   VAL  83           HA       VAL  83   2.166  -8.489  -4.033
  590    HB   VAL  83           HB       VAL  83  -0.820  -8.237  -4.505
  591   1HG1  VAL  83          HG11      VAL  83   1.102 -10.548  -4.867
  592   2HG1  VAL  83          HG13      VAL  83  -0.642 -10.766  -4.717
  593   3HG1  VAL  83          HG12      VAL  83   0.019  -9.849  -6.071
  594   1HG2  VAL  83          HG23      VAL  83   0.913  -9.372  -2.318
  595   2HG2  VAL  83          HG22      VAL  83  -0.501  -8.327  -2.178
  596   3HG2  VAL  83          HG21      VAL  83  -0.699 -10.027  -2.602
  597    H    ARG  84           HN       ARG  84   0.299  -6.133  -5.899
  598    HA   ARG  84           HA       ARG  84   0.426  -7.139  -8.476
  599   1HB   ARG  84           HB2      ARG  84  -0.572  -4.987  -8.137
  600   2HB   ARG  84           HB1      ARG  84   0.931  -4.316  -7.503
  601   1HG   ARG  84           HG2      ARG  84   1.843  -4.037  -9.584
  602   2HG   ARG  84           HG1      ARG  84   1.081  -5.494 -10.224
  603   1HD   ARG  84           HD2      ARG  84  -1.137  -4.191 -10.057
  604   2HD   ARG  84           HD1      ARG  84  -0.133  -2.754  -9.865
  605    HE   ARG  84           HE       ARG  84   0.636  -4.349 -12.173
  606   1HH1  ARG  84          HH21      ARG  84  -1.442  -1.905 -10.896
  607   2HH1  ARG  84          HH22      ARG  84  -1.796  -1.217 -12.444
  608   1HH2  ARG  84          HH11      ARG  84   0.153  -3.480 -14.201
  609   2HH2  ARG  84          HH12      ARG  84  -0.893  -2.105 -14.313
  610    H    GLN  85           HN       GLN  85   2.809  -4.611  -7.973
  611    HA   GLN  85           HA       GLN  85   4.773  -6.144  -9.509
  612   1HB   GLN  85           HB2      GLN  85   4.497  -3.370  -8.499
  613   2HB   GLN  85           HB1      GLN  85   6.151  -3.970  -8.621
  614   1HG   GLN  85           HG2      GLN  85   6.038  -4.227 -10.923
  615   2HG   GLN  85           HG1      GLN  85   4.288  -4.444 -10.917
  616   1HE2  GLN  85          HE22      GLN  85   3.780  -1.067 -11.732
  617   2HE2  GLN  85          HE21      GLN  85   3.278  -2.681 -11.878
  618    H    MET  86           HN       MET  86   4.851  -7.921  -7.841
  619    HA   MET  86           HA       MET  86   6.271  -7.239  -5.343
  620   1HB   MET  86           HB2      MET  86   4.807  -9.597  -6.408
  621   2HB   MET  86           HB1      MET  86   6.142  -9.940  -5.308
  622   1HG   MET  86           HG2      MET  86   4.053  -7.865  -4.645
  623   2HG   MET  86           HG1      MET  86   3.811  -9.568  -4.258
  624   1HE   MET  86           HE3      MET  86   4.065 -10.201  -1.997
  625   2HE   MET  86           HE2      MET  86   4.797  -9.179  -0.763
  626   3HE   MET  86           HE1      MET  86   3.501  -8.539  -1.768
  627    H    LYS  87           HN       LYS  87   6.803  -9.475  -8.098
  628    HA   LYS  87           HA       LYS  87   9.556  -9.963  -7.372
  629   1HB   LYS  87           HB2      LYS  87   9.711 -10.925  -9.697
  630   2HB   LYS  87           HB1      LYS  87   8.401 -11.601  -8.729
  631   1HG   LYS  87           HG2      LYS  87   6.777 -10.163  -9.826
  632   2HG   LYS  87           HG1      LYS  87   8.058  -9.324 -10.701
  633   1HD   LYS  87           HD2      LYS  87   8.084 -10.905 -12.304
  634   2HD   LYS  87           HD1      LYS  87   8.264 -12.185 -11.103
  635   1HE   LYS  87           HE2      LYS  87   6.188 -12.504 -12.375
  636   2HE   LYS  87           HE1      LYS  87   5.818 -12.123 -10.694
  637   1HZ   LYS  87           HZ2      LYS  87   5.596  -9.766 -11.400
  638   2HZ   LYS  87           HZ1      LYS  87   5.735 -10.278 -13.015
  639   3HZ   LYS  87           HZ3      LYS  87   4.426 -10.800 -12.071
  640    H    GLU  88           HN       GLU  88   7.947  -7.654  -9.514
  641    HA   GLU  88           HA       GLU  88  10.075  -6.680 -11.017
  642   1HB   GLU  88           HB2      GLU  88   7.509  -5.777 -10.387
  643   2HB   GLU  88           HB1      GLU  88   8.568  -4.476  -9.840
  644   1HG   GLU  88           HG2      GLU  88   8.218  -3.924 -12.092
  645   2HG   GLU  88           HG1      GLU  88   9.749  -4.801 -12.148
  646    H    ASP  89           HN       ASP  89   9.237  -5.723  -7.676
  647    HA   ASP  89           HA       ASP  89  11.902  -5.570  -6.749
  648   1HB   ASP  89           HB2      ASP  89  11.695  -3.612  -8.551
  649   2HB   ASP  89           HB1      ASP  89  10.965  -2.763  -7.189
  650    H    ALA  90           HN       ALA  90  10.496  -6.527  -5.064
  651    HA   ALA  90           HA       ALA  90   9.551  -4.435  -3.201
  652   1HB   ALA  90           HB2      ALA  90   7.809  -6.581  -4.406
  653   2HB   ALA  90           HB1      ALA  90   7.455  -5.921  -2.809
  654   3HB   ALA  90           HB3      ALA  90   7.468  -4.861  -4.219
   
  No H/Q in entry =         654
  Start of MODEL    6
    1   1H    ALA   1           HT3      ALA   1 -10.155  -3.945 -11.143
    2   2H    ALA   1           HT2      ALA   1  -9.685  -5.553 -10.860
    3   3H    ALA   1           HT1      ALA   1 -10.016  -5.027 -12.441
    4    HA   ALA   1           HA       ALA   1 -12.153  -5.513 -12.238
    5   1HB   ALA   1           HB3      ALA   1 -11.144  -7.343 -10.823
    6   2HB   ALA   1           HB2      ALA   1 -11.493  -6.357  -9.402
    7   3HB   ALA   1           HB1      ALA   1 -12.813  -6.952 -10.408
    8    H    SER   2           HN       SER   2 -11.022  -3.917  -9.252
    9    HA   SER   2           HA       SER   2 -12.670  -1.649  -9.500
   10   1HB   SER   2           HB2      SER   2 -14.197  -3.933  -8.832
   11   2HB   SER   2           HB1      SER   2 -14.062  -2.989  -7.351
   12    HG   SER   2           HG       SER   2 -15.094  -2.238  -9.872
   13    H    MET   3           HN       MET   3 -12.222  -3.836  -6.694
   14    HA   MET   3           HA       MET   3  -9.944  -2.532  -5.623
   15   1HB   MET   3           HB2      MET   3 -10.980  -1.134  -3.861
   16   2HB   MET   3           HB1      MET   3 -11.390  -0.549  -5.473
   17   1HG   MET   3           HG2      MET   3 -13.593  -0.939  -5.156
   18   2HG   MET   3           HG1      MET   3 -13.289  -2.551  -4.511
   19   1HE   MET   3           HE1      MET   3 -12.603  -3.175  -2.581
   20   2HE   MET   3           HE3      MET   3 -11.811  -2.132  -1.391
   21   3HE   MET   3           HE2      MET   3 -13.477  -2.653  -1.143
   22    H    THR   4           HN       THR   4 -12.934  -4.288  -5.046
   23    HA   THR   4           HA       THR   4 -11.972  -5.352  -2.479
   24    HB   THR   4           HB       THR   4 -14.441  -5.819  -4.160
   25    HG1  THR   4           HG1      THR   4 -14.036  -4.883  -1.515
   26   1HG2  THR   4          HG21      THR   4 -13.276  -7.468  -1.981
   27   2HG2  THR   4          HG23      THR   4 -15.003  -7.125  -1.867
   28   3HG2  THR   4          HG22      THR   4 -14.357  -7.936  -3.294
   29    H    ASP   5           HN       ASP   5 -13.363  -7.261  -5.128
   30    HA   ASP   5           HA       ASP   5 -11.988  -9.620  -4.702
   31   1HB   ASP   5           HB2      ASP   5 -13.086  -8.303  -7.140
   32   2HB   ASP   5           HB1      ASP   5 -12.009  -9.679  -7.388
   33    H    GLN   6           HN       GLN   6 -10.728  -6.647  -6.018
   34    HA   GLN   6           HA       GLN   6  -8.385  -7.565  -7.300
   35   1HB   GLN   6           HB2      GLN   6  -9.406  -5.140  -6.934
   36   2HB   GLN   6           HB1      GLN   6  -8.267  -5.113  -5.587
   37   1HG   GLN   6           HG2      GLN   6  -6.488  -4.902  -6.967
   38   2HG   GLN   6           HG1      GLN   6  -7.072  -6.180  -8.035
   39   1HE2  GLN   6          HE22      GLN   6  -7.897  -3.780 -10.468
   40   2HE2  GLN   6          HE21      GLN   6  -7.204  -5.286 -10.105
   41    H    GLN   7           HN       GLN   7  -8.716  -6.488  -3.890
   42    HA   GLN   7           HA       GLN   7  -6.079  -7.554  -3.224
   43   1HB   GLN   7           HB2      GLN   7  -6.546  -6.788  -0.979
   44   2HB   GLN   7           HB1      GLN   7  -7.123  -5.553  -2.100
   45   1HG   GLN   7           HG2      GLN   7  -9.309  -7.235  -1.852
   46   2HG   GLN   7           HG1      GLN   7  -8.639  -7.213  -0.221
   47   1HE2  GLN   7          HE22      GLN   7 -10.879  -4.289  -0.351
   48   2HE2  GLN   7          HE21      GLN   7 -11.027  -5.980  -0.318
   49    H    ALA   8           HN       ALA   8  -8.901  -9.100  -3.865
   50    HA   ALA   8           HA       ALA   8  -9.093 -10.931  -1.639
   51   1HB   ALA   8           HB3      ALA   8 -10.444 -10.503  -4.133
   52   2HB   ALA   8           HB2      ALA   8 -10.000 -12.206  -4.016
   53   3HB   ALA   8           HB1      ALA   8 -10.976 -11.460  -2.751
   54    H    GLU   9           HN       GLU   9  -7.633 -11.246  -4.895
   55    HA   GLU   9           HA       GLU   9  -6.512 -13.849  -4.361
   56   1HB   GLU   9           HB2      GLU   9  -6.870 -12.459  -6.626
   57   2HB   GLU   9           HB1      GLU   9  -5.187 -12.028  -6.319
   58   1HG   GLU   9           HG2      GLU   9  -4.517 -14.040  -7.064
   59   2HG   GLU   9           HG1      GLU   9  -5.506 -14.834  -5.838
   60    H    ALA  10           HN       ALA  10  -5.592 -10.655  -3.458
   61    HA   ALA  10           HA       ALA  10  -2.749 -11.198  -3.145
   62   1HB   ALA  10           HB3      ALA  10  -4.552  -8.946  -2.771
   63   2HB   ALA  10           HB2      ALA  10  -3.431  -9.097  -1.418
   64   3HB   ALA  10           HB1      ALA  10  -2.813  -8.944  -3.062
   65    H    ARG  11           HN       ARG  11  -5.347 -10.646  -0.730
   66    HA   ARG  11           HA       ARG  11  -3.793 -11.624   1.471
   67   1HB   ARG  11           HB2      ARG  11  -5.962 -11.749   2.665
   68   2HB   ARG  11           HB1      ARG  11  -5.789 -10.221   1.801
   69   1HG   ARG  11           HG2      ARG  11  -7.350 -10.799   0.181
   70   2HG   ARG  11           HG1      ARG  11  -7.085 -12.530   0.397
   71   1HD   ARG  11           HD2      ARG  11  -8.070 -12.150   2.777
   72   2HD   ARG  11           HD1      ARG  11  -8.697 -10.645   2.104
   73    HE   ARG  11           HE       ARG  11  -9.299 -13.053   0.527
   74   1HH1  ARG  11          HH11      ARG  11 -10.800 -10.343   0.824
   75   2HH1  ARG  11          HH12      ARG  11 -12.242 -10.883   1.617
   76   1HH2  ARG  11          HH21      ARG  11 -10.924 -13.971   2.486
   77   2HH2  ARG  11          HH22      ARG  11 -12.311 -12.937   2.559
   78    H    ALA  12           HN       ALA  12  -5.329 -13.242  -1.117
   79    HA   ALA  12           HA       ALA  12  -6.159 -15.674   0.056
   80   1HB   ALA  12           HB3      ALA  12  -5.615 -14.697  -2.584
   81   2HB   ALA  12           HB2      ALA  12  -4.866 -16.284  -2.410
   82   3HB   ALA  12           HB1      ALA  12  -6.593 -16.086  -2.112
   83    H    PHE  13           HN       PHE  13  -2.906 -14.612  -0.914
   84    HA   PHE  13           HA       PHE  13  -1.752 -17.184  -0.045
   85   1HB   PHE  13           HB2      PHE  13  -0.050 -14.807  -0.679
   86   2HB   PHE  13           HB1      PHE  13   0.206 -16.507  -1.074
   87    HD1  PHE  13           HD1      PHE  13  -2.524 -17.115  -2.220
   88    HD2  PHE  13           HD2      PHE  13   0.153 -13.814  -2.843
   89    HE1  PHE  13           HE1      PHE  13  -3.504 -16.745  -4.468
   90    HE2  PHE  13           HE2      PHE  13  -0.828 -13.444  -5.091
   91    HZ   PHE  13           HZ       PHE  13  -2.655 -14.911  -5.903
   92    H    LEU  14           HN       LEU  14  -2.057 -13.867   1.103
   93    HA   LEU  14           HA       LEU  14  -0.228 -14.285   3.348
   94   1HB   LEU  14           HB2      LEU  14  -2.281 -12.078   3.130
   95   2HB   LEU  14           HB1      LEU  14  -0.724 -12.048   3.961
   96    HG   LEU  14           HG       LEU  14  -1.144 -12.206   0.961
   97   1HD1  LEU  14          HD11      LEU  14  -1.464  -9.986   2.328
   98   2HD1  LEU  14          HD13      LEU  14   0.296 -10.023   2.444
   99   3HD1  LEU  14          HD12      LEU  14  -0.481  -9.966   0.863
  100   1HD2  LEU  14          HD21      LEU  14   1.012 -13.123   2.544
  101   2HD2  LEU  14          HD23      LEU  14   0.992 -12.905   0.794
  102   3HD2  LEU  14          HD22      LEU  14   1.542 -11.595   1.839
  103    H    SER  15           HN       SER  15  -1.320 -16.245   4.197
  104    HA   SER  15           HA       SER  15  -3.940 -16.536   5.032
  105   1HB   SER  15           HB2      SER  15  -3.029 -17.867   6.966
  106   2HB   SER  15           HB1      SER  15  -2.338 -18.310   5.409
  107    HG   SER  15           HG       SER  15  -0.495 -17.240   5.921
  108    H    GLU  16           HN       GLU  16  -4.974 -16.149   7.158
  109    HA   GLU  16           HA       GLU  16  -4.953 -13.462   7.960
  110   1HB   GLU  16           HB2      GLU  16  -6.351 -15.759   8.695
  111   2HB   GLU  16           HB1      GLU  16  -5.562 -15.246  10.187
  112   1HG   GLU  16           HG2      GLU  16  -7.711 -14.126  10.035
  113   2HG   GLU  16           HG1      GLU  16  -6.440 -12.929   9.783
  114    H    GLU  17           HN       GLU  17  -2.717 -15.980   8.771
  115    HA   GLU  17           HA       GLU  17  -1.720 -14.791  11.218
  116   1HB   GLU  17           HB2      GLU  17  -1.337 -17.197   9.880
  117   2HB   GLU  17           HB1      GLU  17   0.220 -16.384   9.716
  118   1HG   GLU  17           HG2      GLU  17   0.435 -17.492  11.774
  119   2HG   GLU  17           HG1      GLU  17  -0.053 -15.867  12.259
  120    H    MET  18           HN       MET  18  -0.718 -14.655   7.802
  121    HA   MET  18           HA       MET  18   1.654 -13.122   8.199
  122   1HB   MET  18           HB2      MET  18  -0.121 -13.788   5.935
  123   2HB   MET  18           HB1      MET  18   0.752 -12.265   5.760
  124   1HG   MET  18           HG2      MET  18   2.709 -13.330   5.408
  125   2HG   MET  18           HG1      MET  18   2.470 -14.365   6.816
  126   1HE   MET  18           HE1      MET  18   2.824 -14.036   3.252
  127   2HE   MET  18           HE3      MET  18   3.855 -15.268   3.993
  128   3HE   MET  18           HE2      MET  18   2.717 -15.713   2.724
  129    H    ILE  19           HN       ILE  19  -1.575 -11.955   7.155
  130    HA   ILE  19           HA       ILE  19  -1.010  -9.196   7.344
  131    HB   ILE  19           HB       ILE  19  -3.671 -10.467   8.031
  132   1HG1  ILE  19          HG12      ILE  19  -3.478  -9.655   5.289
  133   2HG1  ILE  19          HG11      ILE  19  -2.130 -10.736   5.642
  134   1HG2  ILE  19          HG22      ILE  19  -2.762  -7.783   7.785
  135   2HG2  ILE  19          HG21      ILE  19  -3.779  -8.119   6.383
  136   3HG2  ILE  19          HG23      ILE  19  -4.418  -8.346   8.010
  137   1HD1  ILE  19          HD11      ILE  19  -5.000 -11.356   6.384
  138   2HD1  ILE  19          HD13      ILE  19  -4.240 -11.911   4.892
  139   3HD1  ILE  19          HD12      ILE  19  -3.618 -12.451   6.452
  140    H    ALA  20           HN       ALA  20  -2.104 -11.456   9.853
  141    HA   ALA  20           HA       ALA  20  -2.646  -9.623  11.916
  142   1HB   ALA  20           HB3      ALA  20  -2.397 -12.400  11.694
  143   2HB   ALA  20           HB2      ALA  20  -1.205 -11.943  12.912
  144   3HB   ALA  20           HB1      ALA  20  -2.900 -11.504  13.126
  145    H    GLU  21           HN       GLU  21   0.463 -10.783  10.712
  146    HA   GLU  21           HA       GLU  21   1.901  -9.383  12.877
  147   1HB   GLU  21           HB2      GLU  21   2.674 -11.605  11.984
  148   2HB   GLU  21           HB1      GLU  21   3.040 -10.803  10.455
  149   1HG   GLU  21           HG2      GLU  21   4.327  -9.128  12.119
  150   2HG   GLU  21           HG1      GLU  21   4.432 -10.603  13.081
  151    H    PHE  22           HN       PHE  22   0.856  -8.799   9.626
  152    HA   PHE  22           HA       PHE  22   2.853  -6.743   9.068
  153   1HB   PHE  22           HB2      PHE  22   0.620  -8.006   7.658
  154   2HB   PHE  22           HB1      PHE  22   0.714  -6.269   7.365
  155    HD1  PHE  22           HD2      PHE  22   2.675  -5.269   6.295
  156    HD2  PHE  22           HD1      PHE  22   2.438  -9.498   7.003
  157    HE1  PHE  22           HE2      PHE  22   4.596  -5.632   4.769
  158    HE2  PHE  22           HE1      PHE  22   4.359  -9.862   5.478
  159    HZ   PHE  22           HZ       PHE  22   5.438  -7.929   4.360
  160    H    LYS  23           HN       LYS  23  -0.261  -6.875  10.635
  161    HA   LYS  23           HA       LYS  23  -1.116  -4.199  10.360
  162   1HB   LYS  23           HB2      LYS  23  -2.405  -4.532  12.361
  163   2HB   LYS  23           HB1      LYS  23  -2.356  -6.085  11.527
  164   1HG   LYS  23           HG2      LYS  23  -0.299  -6.610  12.980
  165   2HG   LYS  23           HG1      LYS  23  -0.783  -5.222  13.956
  166   1HD   LYS  23           HD2      LYS  23  -2.967  -7.108  13.313
  167   2HD   LYS  23           HD1      LYS  23  -1.705  -7.762  14.358
  168   1HE   LYS  23           HE2      LYS  23  -2.153  -6.277  16.069
  169   2HE   LYS  23           HE1      LYS  23  -2.738  -5.027  14.972
  170   1HZ   LYS  23           HZ2      LYS  23  -4.221  -7.556  15.298
  171   2HZ   LYS  23           HZ1      LYS  23  -4.427  -6.285  16.407
  172   3HZ   LYS  23           HZ3      LYS  23  -4.789  -6.045  14.768
  173    H    ALA  24           HN       ALA  24   1.560  -5.527  12.143
  174    HA   ALA  24           HA       ALA  24   1.943  -3.305  13.945
  175   1HB   ALA  24           HB1      ALA  24   2.992  -5.684  14.028
  176   2HB   ALA  24           HB3      ALA  24   4.183  -5.033  12.901
  177   3HB   ALA  24           HB2      ALA  24   4.000  -4.317  14.502
  178    H    ALA  25           HN       ALA  25   3.285  -4.130  10.748
  179    HA   ALA  25           HA       ALA  25   4.838  -1.662  10.608
  180   1HB   ALA  25           HB1      ALA  25   4.932  -4.076   9.276
  181   2HB   ALA  25           HB3      ALA  25   4.217  -3.010   8.067
  182   3HB   ALA  25           HB2      ALA  25   5.783  -2.616   8.775
  183    H    PHE  26           HN       PHE  26   1.574  -2.485  10.142
  184    HA   PHE  26           HA       PHE  26   0.788  -0.834   7.985
  185   1HB   PHE  26           HB2      PHE  26  -0.807  -2.342   9.006
  186   2HB   PHE  26           HB1      PHE  26  -0.658  -1.518  10.559
  187    HD1  PHE  26           HD1      PHE  26  -0.979  -0.160   7.083
  188    HD2  PHE  26           HD2      PHE  26  -2.717  -0.486  10.997
  189    HE1  PHE  26           HE1      PHE  26  -2.768   1.424   6.421
  190    HE2  PHE  26           HE2      PHE  26  -4.507   1.095  10.335
  191    HZ   PHE  26           HZ       PHE  26  -4.533   2.051   8.046
  192    H    ASP  27           HN       ASP  27   1.669  -0.022  11.287
  193    HA   ASP  27           HA       ASP  27   0.766   2.765  10.976
  194   1HB   ASP  27           HB2      ASP  27   2.370   1.471  13.204
  195   2HB   ASP  27           HB1      ASP  27   1.607   3.060  13.258
  196    H    MET  28           HN       MET  28   3.654   0.887  10.536
  197    HA   MET  28           HA       MET  28   5.612   2.945  10.826
  198   1HB   MET  28           HB2      MET  28   5.484   0.246   9.729
  199   2HB   MET  28           HB1      MET  28   6.535   1.292   8.774
  200   1HG   MET  28           HG2      MET  28   8.074   0.696  10.363
  201   2HG   MET  28           HG1      MET  28   7.321   2.017  11.256
  202   1HE   MET  28           HE3      MET  28   8.847   0.392  12.839
  203   2HE   MET  28           HE2      MET  28   8.182  -0.997  13.693
  204   3HE   MET  28           HE1      MET  28   8.775  -1.187  12.045
  205    H    PHE  29           HN       PHE  29   3.577   1.991   8.077
  206    HA   PHE  29           HA       PHE  29   4.823   3.674   6.128
  207   1HB   PHE  29           HB2      PHE  29   1.980   2.654   6.371
  208   2HB   PHE  29           HB1      PHE  29   2.587   3.522   4.960
  209    HD1  PHE  29           HD1      PHE  29   4.815   2.596   3.912
  210    HD2  PHE  29           HD2      PHE  29   2.214   0.329   6.471
  211    HE1  PHE  29           HE1      PHE  29   5.786   0.491   3.033
  212    HE2  PHE  29           HE2      PHE  29   3.185  -1.776   5.591
  213    HZ   PHE  29           HZ       PHE  29   4.970  -1.696   3.872
  214    H    ASP  30           HN       ASP  30   1.672   4.261   7.738
  215    HA   ASP  30           HA       ASP  30   1.504   6.996   7.046
  216   1HB   ASP  30           HB2      ASP  30   0.469   5.952   9.677
  217   2HB   ASP  30           HB1      ASP  30  -0.256   7.149   8.604
  218    H    ALA  31           HN       ALA  31   1.242   8.425   9.454
  219    HA   ALA  31           HA       ALA  31   4.092   8.842  10.095
  220   1HB   ALA  31           HB1      ALA  31   1.700  10.463  10.054
  221   2HB   ALA  31           HB3      ALA  31   2.493  10.596  11.623
  222   3HB   ALA  31           HB2      ALA  31   3.383  10.978  10.150
  223    H    ASP  32           HN       ASP  32   1.426   9.259  12.386
  224    HA   ASP  32           HA       ASP  32   2.652   7.140  14.096
  225   1HB   ASP  32           HB2      ASP  32   2.211   8.651  16.068
  226   2HB   ASP  32           HB1      ASP  32   3.467   9.240  14.978
  227    H    GLY  33           HN       GLY  33   0.425   6.646  12.539
  228   1HA   GLY  33           HA2      GLY  33  -1.521   5.349  13.315
  229   2HA   GLY  33           HA1      GLY  33  -1.725   6.530  14.610
  230    H    GLY  34           HN       GLY  34  -1.110   7.200  11.176
  231   1HA   GLY  34           HA2      GLY  34  -3.282   9.133  11.119
  232   2HA   GLY  34           HA1      GLY  34  -2.286   8.660   9.742
  233    H    GLY  35           HN       GLY  35  -3.015   5.746  10.513
  234   1HA   GLY  35           HA2      GLY  35  -4.653   4.184   9.888
  235   2HA   GLY  35           HA1      GLY  35  -5.847   5.465  10.100
  236    H    ASP  36           HN       ASP  36  -3.091   5.672   7.910
  237    HA   ASP  36           HA       ASP  36  -4.377   4.820   5.527
  238   1HB   ASP  36           HB2      ASP  36  -5.039   7.553   6.443
  239   2HB   ASP  36           HB1      ASP  36  -4.511   7.440   4.763
  240    H    ILE  37           HN       ILE  37  -3.034   5.185   3.678
  241    HA   ILE  37           HA       ILE  37  -0.278   6.034   4.399
  242    HB   ILE  37           HB       ILE  37  -1.105   4.611   1.865
  243   1HG1  ILE  37          HG12      ILE  37   0.052   2.912   3.925
  244   2HG1  ILE  37          HG11      ILE  37  -1.461   3.631   4.476
  245   1HG2  ILE  37          HG21      ILE  37   1.158   5.605   1.971
  246   2HG2  ILE  37          HG23      ILE  37   1.471   4.727   3.468
  247   3HG2  ILE  37          HG22      ILE  37   1.242   3.843   1.958
  248   1HD1  ILE  37          HD13      ILE  37  -1.144   2.237   1.805
  249   2HD1  ILE  37          HD12      ILE  37  -1.749   1.443   3.260
  250   3HD1  ILE  37          HD11      ILE  37  -2.646   2.783   2.551
  251    H    SER  38           HN       SER  38  -3.018   7.044   2.663
  252    HA   SER  38           HA       SER  38  -2.717   8.365   0.453
  253   1HB   SER  38           HB2      SER  38  -3.169  10.572   2.205
  254   2HB   SER  38           HB1      SER  38  -4.347   9.653   1.272
  255    HG   SER  38           HG       SER  38  -4.735   9.568   3.537
  256    H    THR  39           HN       THR  39  -1.512   9.846  -0.632
  257    HA   THR  39           HA       THR  39   1.131  10.284  -0.416
  258    HB   THR  39           HB       THR  39   0.891  12.377  -1.600
  259    HG1  THR  39           HG1      THR  39  -0.543  13.636  -0.718
  260   1HG2  THR  39          HG21      THR  39   0.040  10.155  -2.614
  261   2HG2  THR  39          HG23      THR  39  -1.575  10.806  -2.335
  262   3HG2  THR  39          HG22      THR  39  -0.455  11.654  -3.400
  263    H    LYS  40           HN       LYS  40  -1.251  11.979   1.589
  264    HA   LYS  40           HA       LYS  40   0.259  13.976   2.767
  265   1HB   LYS  40           HB2      LYS  40  -2.135  13.220   3.339
  266   2HB   LYS  40           HB1      LYS  40  -1.381  12.078   4.454
  267   1HG   LYS  40           HG2      LYS  40  -0.508  13.776   5.809
  268   2HG   LYS  40           HG1      LYS  40  -0.606  14.983   4.526
  269   1HD   LYS  40           HD2      LYS  40  -2.382  15.489   6.049
  270   2HD   LYS  40           HD1      LYS  40  -3.138  14.726   4.650
  271   1HE   LYS  40           HE2      LYS  40  -2.892  12.513   5.939
  272   2HE   LYS  40           HE1      LYS  40  -2.565  13.513   7.356
  273   1HZ   LYS  40           HZ2      LYS  40  -4.881  14.258   5.768
  274   2HZ   LYS  40           HZ1      LYS  40  -5.007  12.791   6.614
  275   3HZ   LYS  40           HZ3      LYS  40  -4.682  14.227   7.455
  276    H    GLU  41           HN       GLU  41   0.068  10.677   4.166
  277    HA   GLU  41           HA       GLU  41   2.646  11.155   5.539
  278   1HB   GLU  41           HB2      GLU  41   0.733   8.800   5.615
  279   2HB   GLU  41           HB1      GLU  41   2.183   8.956   6.607
  280   1HG   GLU  41           HG2      GLU  41   1.127  10.302   8.072
  281   2HG   GLU  41           HG1      GLU  41   0.560  11.356   6.775
  282    H    LEU  42           HN       LEU  42   1.610   9.919   2.575
  283    HA   LEU  42           HA       LEU  42   3.476   7.730   2.287
  284   1HB   LEU  42           HB2      LEU  42   1.357   8.518   0.827
  285   2HB   LEU  42           HB1      LEU  42   2.642   9.274  -0.117
  286    HG   LEU  42           HG       LEU  42   3.035   6.443   0.746
  287   1HD1  LEU  42          HD12      LEU  42   0.826   7.387  -0.934
  288   2HD1  LEU  42          HD11      LEU  42   1.859   6.216  -1.752
  289   3HD1  LEU  42          HD13      LEU  42   1.092   5.796  -0.221
  290   1HD2  LEU  42          HD23      LEU  42   4.433   8.242  -0.797
  291   2HD2  LEU  42          HD22      LEU  42   4.623   6.491  -0.880
  292   3HD2  LEU  42          HD21      LEU  42   3.558   7.318  -2.018
  293    H    GLY  43           HN       GLY  43   3.721  11.198   1.977
  294   1HA   GLY  43           HA2      GLY  43   6.103  11.254   0.354
  295   2HA   GLY  43           HA1      GLY  43   5.543  12.567   1.391
  296    H    THR  44           HN       THR  44   5.490  10.948   3.808
  297    HA   THR  44           HA       THR  44   8.247  11.286   4.615
  298    HB   THR  44           HB       THR  44   7.501  10.716   6.776
  299    HG1  THR  44           HG1      THR  44   6.336   9.011   7.042
  300   1HG2  THR  44          HG23      THR  44   6.112  12.550   5.383
  301   2HG2  THR  44          HG22      THR  44   4.797  11.443   5.775
  302   3HG2  THR  44          HG21      THR  44   5.752  12.170   7.068
  303    H    VAL  45           HN       VAL  45   6.183   8.403   4.109
  304    HA   VAL  45           HA       VAL  45   8.162   6.460   4.718
  305    HB   VAL  45           HB       VAL  45   6.054   6.150   2.567
  306   1HG1  VAL  45          HG11      VAL  45   7.876   4.393   4.042
  307   2HG1  VAL  45          HG13      VAL  45   6.195   3.866   4.133
  308   3HG1  VAL  45          HG12      VAL  45   6.969   4.080   2.563
  309   1HG2  VAL  45          HG21      VAL  45   5.806   6.454   5.524
  310   2HG2  VAL  45          HG23      VAL  45   4.659   6.873   4.252
  311   3HG2  VAL  45          HG22      VAL  45   4.833   5.195   4.765
  312    H    MET  46           HN       MET  46   7.269   7.869   1.558
  313    HA   MET  46           HA       MET  46   9.344   6.527   0.097
  314   1HB   MET  46           HB2      MET  46   7.186   8.194  -0.527
  315   2HB   MET  46           HB1      MET  46   8.608   9.116  -1.016
  316   1HG   MET  46           HG2      MET  46   8.655   7.853  -2.884
  317   2HG   MET  46           HG1      MET  46   9.154   6.507  -1.859
  318   1HE   MET  46           HE1      MET  46   7.395   5.708  -0.157
  319   2HE   MET  46           HE3      MET  46   5.861   5.001  -0.682
  320   3HE   MET  46           HE2      MET  46   7.385   4.350  -1.280
  321    H    ARG  47           HN       ARG  47   9.275   9.418   2.059
  322    HA   ARG  47           HA       ARG  47  11.684  10.609   1.007
  323   1HB   ARG  47           HB2      ARG  47   9.943  11.757   2.474
  324   2HB   ARG  47           HB1      ARG  47  10.659  10.896   3.838
  325   1HG   ARG  47           HG2      ARG  47  12.697  12.154   2.186
  326   2HG   ARG  47           HG1      ARG  47  11.528  13.334   2.778
  327   1HD   ARG  47           HD2      ARG  47  11.985  11.709   4.988
  328   2HD   ARG  47           HD1      ARG  47  13.580  11.864   4.250
  329    HE   ARG  47           HE       ARG  47  12.435  14.454   4.322
  330   1HH1  ARG  47          HH21      ARG  47  14.241  12.182   6.092
  331   2HH1  ARG  47          HH22      ARG  47  14.350  13.151   7.524
  332   1HH2  ARG  47          HH11      ARG  47  12.233  15.624   6.329
  333   2HH2  ARG  47          HH12      ARG  47  13.210  15.098   7.660
  334    H    MET  48           HN       MET  48  11.026   8.010   3.215
  335    HA   MET  48           HA       MET  48  13.638   7.994   4.481
  336   1HB   MET  48           HB2      MET  48  11.806   5.609   4.197
  337   2HB   MET  48           HB1      MET  48  12.939   5.967   5.501
  338   1HG   MET  48           HG2      MET  48  11.169   8.179   5.322
  339   2HG   MET  48           HG1      MET  48  10.175   6.723   5.281
  340   1HE   MET  48           HE3      MET  48  10.176   5.008   6.515
  341   2HE   MET  48           HE2      MET  48  11.138   4.597   7.933
  342   3HE   MET  48           HE1      MET  48   9.627   5.482   8.129
  343    H    LEU  49           HN       LEU  49  12.609   7.262   1.365
  344    HA   LEU  49           HA       LEU  49  14.479   5.045   0.905
  345   1HB   LEU  49           HB2      LEU  49  12.250   6.237  -0.484
  346   2HB   LEU  49           HB1      LEU  49  13.644   6.149  -1.561
  347    HG   LEU  49           HG       LEU  49  12.319   4.073  -1.676
  348   1HD1  LEU  49          HD12      LEU  49  15.111   4.156  -0.660
  349   2HD1  LEU  49          HD11      LEU  49  14.314   2.584  -0.616
  350   3HD1  LEU  49          HD13      LEU  49  14.475   3.449  -2.144
  351   1HD2  LEU  49          HD22      LEU  49  12.327   4.436   1.206
  352   2HD2  LEU  49          HD21      LEU  49  11.325   3.367   0.226
  353   3HD2  LEU  49          HD23      LEU  49  12.909   2.828   0.778
  354    H    GLY  50           HN       GLY  50  14.199   7.946  -1.129
  355   1HA   GLY  50           HA2      GLY  50  16.520   9.324  -0.472
  356   2HA   GLY  50           HA1      GLY  50  17.076   8.013  -1.513
  357    H    GLN  51           HN       GLN  51  14.121  10.047  -1.626
  358    HA   GLN  51           HA       GLN  51  15.052  11.233  -4.182
  359   1HB   GLN  51           HB2      GLN  51  13.739   9.031  -4.587
  360   2HB   GLN  51           HB1      GLN  51  12.334   9.928  -4.009
  361   1HG   GLN  51           HG2      GLN  51  12.160  10.439  -6.244
  362   2HG   GLN  51           HG1      GLN  51  13.260  11.730  -5.762
  363   1HE2  GLN  51          HE22      GLN  51  14.838   8.500  -7.776
  364   2HE2  GLN  51          HE21      GLN  51  13.453   8.279  -6.820
  365    H    ASN  52           HN       ASN  52  14.102  13.363  -4.415
  366    HA   ASN  52           HA       ASN  52  12.912  14.460  -2.073
  367   1HB   ASN  52           HB2      ASN  52  12.518  15.379  -4.942
  368   2HB   ASN  52           HB1      ASN  52  12.219  16.346  -3.497
  369   1HD2  ASN  52          HD22      ASN  52  15.745  16.853  -4.948
  370   2HD2  ASN  52          HD21      ASN  52  14.249  16.735  -5.742
  371    HA   PRO  53           HA       PRO  53   8.943  12.573  -2.829
  372   1HB   PRO  53           HB2      PRO  53   7.958  13.088  -0.326
  373   2HB   PRO  53           HB1      PRO  53   9.120  11.796  -0.668
  374   1HG   PRO  53           HG2      PRO  53   9.563  14.333   0.774
  375   2HG   PRO  53           HG1      PRO  53  10.553  12.865   0.757
  376   1HD   PRO  53           HD2      PRO  53  10.974  15.319  -0.738
  377   2HD   PRO  53           HD1      PRO  53  11.998  13.865  -0.679
  378    H    THR  54           HN       THR  54   8.612  14.543  -4.337
  379    HA   THR  54           HA       THR  54   7.458  16.979  -3.410
  380    HB   THR  54           HB       THR  54   6.747  15.658  -6.028
  381    HG1  THR  54           HG1      THR  54   8.775  17.039  -6.558
  382   1HG2  THR  54          HG22      THR  54   6.796  18.412  -4.897
  383   2HG2  THR  54          HG21      THR  54   7.208  18.227  -6.602
  384   3HG2  THR  54          HG23      THR  54   5.643  17.671  -6.008
  385    H    LYS  55           HN       LYS  55   5.194  17.616  -3.434
  386    HA   LYS  55           HA       LYS  55   3.425  15.763  -2.213
  387   1HB   LYS  55           HB2      LYS  55   3.142  18.245  -2.149
  388   2HB   LYS  55           HB1      LYS  55   2.676  18.203  -3.850
  389   1HG   LYS  55           HG2      LYS  55   0.746  18.213  -2.188
  390   2HG   LYS  55           HG1      LYS  55   0.717  16.912  -3.377
  391   1HD   LYS  55           HD2      LYS  55   1.217  15.288  -1.822
  392   2HD   LYS  55           HD1      LYS  55   2.146  16.395  -0.809
  393   1HE   LYS  55           HE2      LYS  55  -0.688  17.128  -1.016
  394   2HE   LYS  55           HE1      LYS  55  -0.433  15.542  -0.288
  395   1HZ   LYS  55           HZ3      LYS  55   1.416  16.865   0.998
  396   2HZ   LYS  55           HZ2      LYS  55   0.399  18.183   0.657
  397   3HZ   LYS  55           HZ1      LYS  55  -0.193  16.853   1.534
  398    H    GLU  56           HN       GLU  56   4.114  16.466  -5.564
  399    HA   GLU  56           HA       GLU  56   1.834  14.831  -6.481
  400   1HB   GLU  56           HB2      GLU  56   2.637  16.963  -7.654
  401   2HB   GLU  56           HB1      GLU  56   4.025  16.018  -8.195
  402   1HG   GLU  56           HG2      GLU  56   1.732  14.434  -8.700
  403   2HG   GLU  56           HG1      GLU  56   1.351  16.060  -9.269
  404    H    GLU  57           HN       GLU  57   5.215  14.524  -5.807
  405    HA   GLU  57           HA       GLU  57   5.848  12.339  -7.529
  406   1HB   GLU  57           HB2      GLU  57   7.247  13.829  -5.701
  407   2HB   GLU  57           HB1      GLU  57   7.107  12.282  -4.864
  408   1HG   GLU  57           HG2      GLU  57   8.272  12.788  -7.613
  409   2HG   GLU  57           HG1      GLU  57   9.111  12.173  -6.187
  410    H    LEU  58           HN       LEU  58   4.349  12.483  -4.325
  411    HA   LEU  58           HA       LEU  58   4.275   9.564  -4.057
  412   1HB   LEU  58           HB2      LEU  58   2.890  11.748  -2.471
  413   2HB   LEU  58           HB1      LEU  58   2.927  10.042  -2.031
  414    HG   LEU  58           HG       LEU  58   4.671  11.015  -0.766
  415   1HD1  LEU  58          HD11      LEU  58   5.234   9.027  -2.453
  416   2HD1  LEU  58          HD13      LEU  58   6.329  10.234  -3.128
  417   3HD1  LEU  58          HD12      LEU  58   6.484   9.748  -1.439
  418   1HD2  LEU  58          HD21      LEU  58   4.599  13.121  -2.324
  419   2HD2  LEU  58          HD23      LEU  58   6.100  12.726  -1.486
  420   3HD2  LEU  58          HD22      LEU  58   5.903  12.305  -3.188
  421    H    ASP  59           HN       ASP  59   2.508  11.824  -5.810
  422    HA   ASP  59           HA       ASP  59  -0.089  10.464  -5.553
  423   1HB   ASP  59           HB2      ASP  59   0.774  13.023  -6.377
  424   2HB   ASP  59           HB1      ASP  59   0.092  12.258  -7.812
  425    H    ALA  60           HN       ALA  60   2.763   9.993  -7.327
  426    HA   ALA  60           HA       ALA  60   1.398   8.861  -9.688
  427   1HB   ALA  60           HB1      ALA  60   4.011   9.878  -9.122
  428   2HB   ALA  60           HB3      ALA  60   4.176   8.200  -9.644
  429   3HB   ALA  60           HB2      ALA  60   3.352   9.369 -10.678
  430    H    ILE  61           HN       ILE  61   3.192   7.739  -6.839
  431    HA   ILE  61           HA       ILE  61   3.042   4.940  -7.680
  432    HB   ILE  61           HB       ILE  61   3.485   5.650  -4.818
  433   1HG1  ILE  61          HG12      ILE  61   5.995   5.989  -5.923
  434   2HG1  ILE  61          HG11      ILE  61   4.955   6.866  -7.048
  435   1HG2  ILE  61          HG21      ILE  61   3.698   3.341  -5.711
  436   2HG2  ILE  61          HG23      ILE  61   4.989   3.898  -6.776
  437   3HG2  ILE  61          HG22      ILE  61   5.209   3.942  -5.027
  438   1HD1  ILE  61          HD11      ILE  61   3.890   7.983  -5.051
  439   2HD1  ILE  61          HD13      ILE  61   5.147   7.250  -4.053
  440   3HD1  ILE  61          HD12      ILE  61   5.582   8.409  -5.309
  441    H    ILE  62           HN       ILE  62   1.256   7.094  -5.502
  442    HA   ILE  62           HA       ILE  62  -0.429   4.907  -4.552
  443    HB   ILE  62           HB       ILE  62   0.189   7.099  -3.289
  444   1HG1  ILE  62          HG12      ILE  62  -2.542   5.818  -3.436
  445   2HG1  ILE  62          HG11      ILE  62  -1.267   5.540  -2.250
  446   1HG2  ILE  62          HG23      ILE  62  -0.625   8.583  -5.162
  447   2HG2  ILE  62          HG22      ILE  62  -2.266   8.046  -4.799
  448   3HG2  ILE  62          HG21      ILE  62  -1.347   8.949  -3.595
  449   1HD1  ILE  62          HD13      ILE  62  -1.737   8.261  -2.034
  450   2HD1  ILE  62          HD12      ILE  62  -3.350   7.597  -2.298
  451   3HD1  ILE  62          HD11      ILE  62  -2.370   7.022  -0.948
  452    H    GLU  63           HN       GLU  63  -0.333   6.749  -7.362
  453    HA   GLU  63           HA       GLU  63  -3.118   7.175  -7.873
  454   1HB   GLU  63           HB2      GLU  63  -1.351   8.247  -9.214
  455   2HB   GLU  63           HB1      GLU  63  -0.867   6.674  -9.843
  456   1HG   GLU  63           HG2      GLU  63  -2.309   7.197 -11.535
  457   2HG   GLU  63           HG1      GLU  63  -3.529   6.625 -10.397
  458    H    GLU  64           HN       GLU  64  -0.957   4.488  -8.840
  459    HA   GLU  64           HA       GLU  64  -3.101   2.970 -10.052
  460   1HB   GLU  64           HB2      GLU  64  -1.507   1.217 -10.303
  461   2HB   GLU  64           HB1      GLU  64  -0.589   2.711 -10.482
  462   1HG   GLU  64           HG2      GLU  64   0.134   2.581  -8.144
  463   2HG   GLU  64           HG1      GLU  64  -0.834   1.125  -7.909
  464    H    VAL  65           HN       VAL  65  -2.340   3.622  -6.823
  465    HA   VAL  65           HA       VAL  65  -3.579   1.083  -5.872
  466    HB   VAL  65           HB       VAL  65  -2.482   3.204  -4.048
  467   1HG1  VAL  65          HG11      VAL  65  -2.943   0.232  -4.011
  468   2HG1  VAL  65          HG13      VAL  65  -1.748   0.946  -2.927
  469   3HG1  VAL  65          HG12      VAL  65  -3.436   1.448  -2.832
  470   1HG2  VAL  65          HG22      VAL  65  -0.998   1.766  -6.099
  471   2HG2  VAL  65          HG21      VAL  65  -0.447   3.043  -5.015
  472   3HG2  VAL  65          HG23      VAL  65  -0.417   1.361  -4.484
  473    H    ASP  66           HN       ASP  66  -4.231   4.430  -6.355
  474    HA   ASP  66           HA       ASP  66  -6.604   4.286  -4.559
  475   1HB   ASP  66           HB2      ASP  66  -6.677   6.718  -4.717
  476   2HB   ASP  66           HB1      ASP  66  -5.043   6.220  -4.280
  477    H    GLU  67           HN       GLU  67  -6.843   2.771  -6.848
  478    HA   GLU  67           HA       GLU  67  -7.927   4.170  -9.105
  479   1HB   GLU  67           HB2      GLU  67  -7.176   1.694  -8.920
  480   2HB   GLU  67           HB1      GLU  67  -8.792   1.400  -8.277
  481   1HG   GLU  67           HG2      GLU  67  -9.816   1.805 -10.290
  482   2HG   GLU  67           HG1      GLU  67  -8.630   3.019 -10.768
  483    H    ASP  68           HN       ASP  68  -9.358   2.949  -6.112
  484    HA   ASP  68           HA       ASP  68 -12.074   3.038  -6.632
  485   1HB   ASP  68           HB2      ASP  68 -10.769   2.704  -4.378
  486   2HB   ASP  68           HB1      ASP  68 -11.043   4.435  -4.178
  487    H    GLY  69           HN       GLY  69 -10.445   5.891  -5.216
  488   1HA   GLY  69           HA2      GLY  69 -10.794   7.901  -6.957
  489   2HA   GLY  69           HA1      GLY  69 -12.474   7.615  -6.505
  490    H    SER  70           HN       SER  70  -9.665   7.337  -4.359
  491    HA   SER  70           HA       SER  70 -10.714   9.699  -2.851
  492   1HB   SER  70           HB2      SER  70 -11.206   8.144  -1.257
  493   2HB   SER  70           HB1      SER  70 -10.131   6.940  -1.962
  494    HG   SER  70           HG       SER  70  -9.376   9.207  -0.420
  495    H    GLY  71           HN       GLY  71  -7.929   7.844  -3.925
  496   1HA   GLY  71           HA2      GLY  71  -5.783   8.758  -4.427
  497   2HA   GLY  71           HA1      GLY  71  -6.237  10.233  -3.573
  498    H    THR  72           HN       THR  72  -6.720   7.085  -2.130
  499    HA   THR  72           HA       THR  72  -4.220   7.187  -0.599
  500    HB   THR  72           HB       THR  72  -5.011   7.896   1.420
  501    HG1  THR  72           HG1      THR  72  -6.673   6.956   2.284
  502   1HG2  THR  72          HG23      THR  72  -7.186   8.940  -0.402
  503   2HG2  THR  72          HG22      THR  72  -6.834   9.562   1.211
  504   3HG2  THR  72          HG21      THR  72  -5.638   9.719  -0.077
  505    H    ILE  73           HN       ILE  73  -4.673   5.453   1.369
  506    HA   ILE  73           HA       ILE  73  -6.422   3.285   0.542
  507    HB   ILE  73           HB       ILE  73  -4.263   1.724   0.509
  508   1HG1  ILE  73          HG12      ILE  73  -3.230   4.332  -0.648
  509   2HG1  ILE  73          HG11      ILE  73  -2.762   3.710   0.935
  510   1HG2  ILE  73          HG21      ILE  73  -6.022   2.788  -1.392
  511   2HG2  ILE  73          HG23      ILE  73  -4.419   3.058  -2.076
  512   3HG2  ILE  73          HG22      ILE  73  -4.923   1.428  -1.630
  513   1HD1  ILE  73          HD12      ILE  73  -2.474   1.576  -0.924
  514   2HD1  ILE  73          HD11      ILE  73  -1.714   2.997  -1.639
  515   3HD1  ILE  73          HD13      ILE  73  -1.201   2.428  -0.051
  516    H    ASP  74           HN       ASP  74  -6.268   1.440   2.108
  517    HA   ASP  74           HA       ASP  74  -5.346   2.437   4.771
  518   1HB   ASP  74           HB2      ASP  74  -7.514   0.475   3.969
  519   2HB   ASP  74           HB1      ASP  74  -6.975   0.674   5.636
  520    H    PHE  75           HN       PHE  75  -5.354  -0.058   6.105
  521    HA   PHE  75           HA       PHE  75  -2.788  -1.089   5.246
  522   1HB   PHE  75           HB2      PHE  75  -2.716  -2.082   7.302
  523   2HB   PHE  75           HB1      PHE  75  -4.074  -1.017   7.645
  524    HD1  PHE  75           HD2      PHE  75  -6.452  -1.983   6.910
  525    HD2  PHE  75           HD1      PHE  75  -2.964  -4.363   7.695
  526    HE1  PHE  75           HE2      PHE  75  -7.892  -3.962   7.308
  527    HE2  PHE  75           HE1      PHE  75  -4.403  -6.343   8.092
  528    HZ   PHE  75           HZ       PHE  75  -6.868  -6.144   7.898
  529    H    GLU  76           HN       GLU  76  -6.136  -2.209   4.955
  530    HA   GLU  76           HA       GLU  76  -5.254  -4.735   3.721
  531   1HB   GLU  76           HB2      GLU  76  -7.709  -5.158   3.496
  532   2HB   GLU  76           HB1      GLU  76  -7.219  -4.809   5.155
  533   1HG   GLU  76           HG2      GLU  76  -8.585  -3.026   5.228
  534   2HG   GLU  76           HG1      GLU  76  -7.819  -2.342   3.795
  535    H    GLU  77           HN       GLU  77  -6.235  -1.555   2.728
  536    HA   GLU  77           HA       GLU  77  -6.972  -2.361   0.018
  537   1HB   GLU  77           HB2      GLU  77  -7.383  -0.090   1.549
  538   2HB   GLU  77           HB1      GLU  77  -6.175   0.437   0.376
  539   1HG   GLU  77           HG2      GLU  77  -8.299   0.830  -0.652
  540   2HG   GLU  77           HG1      GLU  77  -7.649  -0.619  -1.420
  541    H    PHE  78           HN       PHE  78  -4.107  -0.930   1.586
  542    HA   PHE  78           HA       PHE  78  -2.661  -0.883  -0.969
  543   1HB   PHE  78           HB2      PHE  78  -1.043   0.348   0.128
  544   2HB   PHE  78           HB1      PHE  78  -2.420   0.694   1.167
  545    HD1  PHE  78           HD2      PHE  78  -2.771  -1.604   2.840
  546    HD2  PHE  78           HD1      PHE  78   0.893   0.106   1.390
  547    HE1  PHE  78           HE2      PHE  78  -1.546  -2.588   4.762
  548    HE2  PHE  78           HE1      PHE  78   2.113  -0.879   3.310
  549    HZ   PHE  78           HZ       PHE  78   0.894  -2.226   4.996
  550    H    LEU  79           HN       LEU  79  -3.347  -3.193   1.398
  551    HA   LEU  79           HA       LEU  79  -0.970  -4.702   1.595
  552   1HB   LEU  79           HB2      LEU  79  -3.463  -5.024   2.564
  553   2HB   LEU  79           HB1      LEU  79  -3.521  -6.200   1.252
  554    HG   LEU  79           HG       LEU  79  -1.255  -7.045   2.162
  555   1HD1  LEU  79          HD11      LEU  79  -1.319  -4.867   3.726
  556   2HD1  LEU  79          HD13      LEU  79  -2.156  -5.985   4.802
  557   3HD1  LEU  79          HD12      LEU  79  -0.527  -6.357   4.239
  558   1HD2  LEU  79          HD21      LEU  79  -3.775  -7.353   3.827
  559   2HD2  LEU  79          HD23      LEU  79  -3.378  -8.285   2.383
  560   3HD2  LEU  79          HD22      LEU  79  -2.400  -8.458   3.840
  561    H    VAL  80           HN       VAL  80  -3.351  -4.523  -1.012
  562    HA   VAL  80           HA       VAL  80  -2.344  -6.770  -2.507
  563    HB   VAL  80           HB       VAL  80  -4.582  -5.632  -2.851
  564   1HG1  VAL  80          HG12      VAL  80  -3.411  -3.314  -2.853
  565   2HG1  VAL  80          HG11      VAL  80  -3.043  -3.664  -4.543
  566   3HG1  VAL  80          HG13      VAL  80  -4.721  -3.578  -4.005
  567   1HG2  VAL  80          HG23      VAL  80  -3.235  -7.141  -4.530
  568   2HG2  VAL  80          HG22      VAL  80  -4.663  -6.274  -5.100
  569   3HG2  VAL  80          HG21      VAL  80  -3.052  -5.641  -5.440
  570    H    MET  81           HN       MET  81  -1.515  -3.333  -2.409
  571    HA   MET  81           HA       MET  81   0.157  -3.257  -4.712
  572   1HB   MET  81           HB2      MET  81  -0.486  -1.199  -3.605
  573   2HB   MET  81           HB1      MET  81   0.304  -1.706  -2.112
  574   1HG   MET  81           HG2      MET  81   2.166  -1.864  -4.315
  575   2HG   MET  81           HG1      MET  81   1.458  -0.250  -4.237
  576   1HE   MET  81           HE2      MET  81   1.092   1.007  -2.293
  577   2HE   MET  81           HE1      MET  81   0.940   0.018  -0.843
  578   3HE   MET  81           HE3      MET  81   2.243   1.206  -0.972
  579    H    MET  82           HN       MET  82   0.632  -4.695  -1.588
  580    HA   MET  82           HA       MET  82   3.558  -4.874  -1.954
  581   1HB   MET  82           HB2      MET  82   2.028  -4.696   0.291
  582   2HB   MET  82           HB1      MET  82   2.260  -6.443   0.195
  583   1HG   MET  82           HG2      MET  82   4.706  -6.098   0.004
  584   2HG   MET  82           HG1      MET  82   4.462  -4.357   0.147
  585   1HE   MET  82           HE2      MET  82   4.405  -3.168   1.680
  586   2HE   MET  82           HE1      MET  82   3.527  -3.351   3.195
  587   3HE   MET  82           HE3      MET  82   5.274  -3.619   3.145
  588    H    VAL  83           HN       VAL  83   0.729  -6.750  -2.615
  589    HA   VAL  83           HA       VAL  83   2.128  -9.320  -2.668
  590    HB   VAL  83           HB       VAL  83  -0.564  -8.537  -3.829
  591   1HG1  VAL  83          HG11      VAL  83   0.947 -10.811  -4.307
  592   2HG1  VAL  83          HG13      VAL  83  -0.103 -11.307  -2.980
  593   3HG1  VAL  83          HG12      VAL  83  -0.805 -10.695  -4.478
  594   1HG2  VAL  83          HG21      VAL  83   0.318  -8.829  -1.124
  595   2HG2  VAL  83          HG23      VAL  83  -1.322  -8.555  -1.709
  596   3HG2  VAL  83          HG22      VAL  83  -0.722 -10.200  -1.506
  597    H    ARG  84           HN       ARG  84   0.862  -7.057  -5.123
  598    HA   ARG  84           HA       ARG  84   1.986  -8.599  -7.320
  599   1HB   ARG  84           HB2      ARG  84   1.484  -6.374  -8.584
  600   2HB   ARG  84           HB1      ARG  84   0.127  -7.313  -7.963
  601   1HG   ARG  84           HG2      ARG  84  -0.326  -5.803  -6.272
  602   2HG   ARG  84           HG1      ARG  84   1.350  -5.261  -6.163
  603   1HD   ARG  84           HD2      ARG  84   0.768  -3.478  -7.413
  604   2HD   ARG  84           HD1      ARG  84   0.526  -4.584  -8.764
  605    HE   ARG  84           HE       ARG  84  -1.831  -4.679  -7.221
  606   1HH1  ARG  84          HH11      ARG  84  -0.315  -3.035  -9.757
  607   2HH1  ARG  84          HH12      ARG  84  -1.511  -1.789  -9.883
  608   1HH2  ARG  84          HH21      ARG  84  -3.245  -2.799  -7.055
  609   2HH2  ARG  84          HH22      ARG  84  -3.170  -1.655  -8.353
  610    H    GLN  85           HN       GLN  85   3.182  -6.151  -5.171
  611    HA   GLN  85           HA       GLN  85   5.404  -5.433  -6.977
  612   1HB   GLN  85           HB2      GLN  85   4.439  -3.681  -5.556
  613   2HB   GLN  85           HB1      GLN  85   4.815  -4.624  -4.113
  614   1HG   GLN  85           HG2      GLN  85   6.790  -3.525  -4.080
  615   2HG   GLN  85           HG1      GLN  85   7.241  -4.525  -5.460
  616   1HE2  GLN  85          HE22      GLN  85   7.781  -1.290  -6.937
  617   2HE2  GLN  85          HE21      GLN  85   8.565  -2.531  -6.086
  618    H    MET  86           HN       MET  86   5.605  -8.086  -6.649
  619    HA   MET  86           HA       MET  86   7.261  -8.746  -4.316
  620   1HB   MET  86           HB2      MET  86   6.234 -10.264  -6.705
  621   2HB   MET  86           HB1      MET  86   7.517 -10.948  -5.704
  622   1HG   MET  86           HG2      MET  86   6.097 -10.708  -3.705
  623   2HG   MET  86           HG1      MET  86   4.814 -10.012  -4.695
  624   1HE   MET  86           HE3      MET  86   5.056 -12.140  -2.703
  625   2HE   MET  86           HE2      MET  86   3.764 -13.203  -3.253
  626   3HE   MET  86           HE1      MET  86   5.421 -13.798  -3.202
  627    H    LYS  87           HN       LYS  87   9.488  -9.526  -4.543
  628    HA   LYS  87           HA       LYS  87  11.021  -7.883  -6.415
  629   1HB   LYS  87           HB2      LYS  87  11.773  -9.893  -4.284
  630   2HB   LYS  87           HB1      LYS  87  12.978  -9.144  -5.331
  631   1HG   LYS  87           HG2      LYS  87  12.900  -7.204  -4.181
  632   2HG   LYS  87           HG1      LYS  87  11.136  -7.177  -4.216
  633   1HD   LYS  87           HD2      LYS  87  11.538  -9.190  -2.446
  634   2HD   LYS  87           HD1      LYS  87  12.970  -8.210  -2.126
  635   1HE   LYS  87           HE2      LYS  87  11.752  -6.458  -1.291
  636   2HE   LYS  87           HE1      LYS  87  10.400  -6.739  -2.389
  637   1HZ   LYS  87           HZ1      LYS  87  10.860  -8.843  -0.462
  638   2HZ   LYS  87           HZ3      LYS  87  10.388  -7.362   0.216
  639   3HZ   LYS  87           HZ2      LYS  87   9.407  -8.112  -0.949
  640    H    GLU  88           HN       GLU  88   9.412 -10.744  -6.801
  641    HA   GLU  88           HA       GLU  88  11.482 -12.099  -8.403
  642   1HB   GLU  88           HB2      GLU  88   9.720 -13.280  -6.948
  643   2HB   GLU  88           HB1      GLU  88   8.568 -12.870  -8.219
  644   1HG   GLU  88           HG2      GLU  88   9.365 -14.476  -9.596
  645   2HG   GLU  88           HG1      GLU  88  11.039 -14.015  -9.284
  646    H    ASP  89           HN       ASP  89   9.696  -9.462  -8.972
  647    HA   ASP  89           HA       ASP  89   8.856  -8.425 -10.903
  648   1HB   ASP  89           HB2      ASP  89  11.271  -9.808 -11.560
  649   2HB   ASP  89           HB1      ASP  89  10.161  -9.968 -12.922
  650    H    ALA  90           HN       ALA  90   7.667 -11.116  -9.928
  651    HA   ALA  90           HA       ALA  90   6.694 -12.463 -12.285
  652   1HB   ALA  90           HB2      ALA  90   6.737 -13.467  -9.984
  653   2HB   ALA  90           HB1      ALA  90   5.424 -12.379  -9.532
  654   3HB   ALA  90           HB3      ALA  90   5.167 -13.602 -10.776
   
  No H/Q in entry =         654
  Start of MODEL    7
    1   1H    ALA   1           HT3      ALA   1 -11.967  -6.620 -14.395
    2   2H    ALA   1           HT2      ALA   1 -10.901  -7.935 -14.249
    3   3H    ALA   1           HT1      ALA   1 -12.476  -8.176 -14.839
    4    HA   ALA   1           HA       ALA   1 -13.400  -8.217 -12.811
    5   1HB   ALA   1           HB2      ALA   1 -10.466  -8.627 -12.162
    6   2HB   ALA   1           HB1      ALA   1 -11.795  -9.042 -11.079
    7   3HB   ALA   1           HB3      ALA   1 -11.624  -9.876 -12.624
    8    H    SER   2           HN       SER   2 -14.004  -6.960 -11.037
    9    HA   SER   2           HA       SER   2 -12.964  -4.240 -10.964
   10   1HB   SER   2           HB2      SER   2 -14.752  -5.343  -8.828
   11   2HB   SER   2           HB1      SER   2 -14.768  -3.751  -9.581
   12    HG   SER   2           HG       SER   2 -16.127  -4.510 -10.979
   13    H    MET   3           HN       MET   3 -13.291  -3.982  -8.029
   14    HA   MET   3           HA       MET   3 -10.564  -4.889  -7.298
   15   1HB   MET   3           HB2      MET   3 -12.381  -3.163  -5.614
   16   2HB   MET   3           HB1      MET   3 -10.620  -3.241  -5.595
   17   1HG   MET   3           HG2      MET   3 -12.334  -2.163  -7.852
   18   2HG   MET   3           HG1      MET   3 -11.342  -1.207  -6.751
   19   1HE   MET   3           HE2      MET   3  -8.985  -2.036  -6.193
   20   2HE   MET   3           HE1      MET   3  -8.848  -3.720  -6.693
   21   3HE   MET   3           HE3      MET   3  -7.791  -2.494  -7.406
   22    H    THR   4           HN       THR   4 -13.480  -6.286  -7.205
   23    HA   THR   4           HA       THR   4 -13.752  -7.090  -4.450
   24    HB   THR   4           HB       THR   4 -14.768  -8.271  -7.045
   25    HG1  THR   4           HG1      THR   4 -16.479  -7.110  -6.606
   26   1HG2  THR   4          HG21      THR   4 -14.603  -9.475  -4.416
   27   2HG2  THR   4          HG23      THR   4 -16.286  -9.259  -4.899
   28   3HG2  THR   4          HG22      THR   4 -15.183 -10.176  -5.926
   29    H    ASP   5           HN       ASP   5 -13.409  -9.663  -6.799
   30    HA   ASP   5           HA       ASP   5 -11.816 -11.301  -5.163
   31   1HB   ASP   5           HB2      ASP   5 -13.016 -11.920  -7.346
   32   2HB   ASP   5           HB1      ASP   5 -11.598 -11.281  -8.180
   33    H    GLN   6           HN       GLN   6 -10.928  -8.522  -7.010
   34    HA   GLN   6           HA       GLN   6  -8.209  -8.959  -7.559
   35   1HB   GLN   6           HB2      GLN   6  -9.888  -6.819  -7.758
   36   2HB   GLN   6           HB1      GLN   6  -8.857  -6.305  -6.421
   37   1HG   GLN   6           HG2      GLN   6  -7.392  -5.650  -8.019
   38   2HG   GLN   6           HG1      GLN   6  -7.040  -7.367  -8.217
   39   1HE2  GLN   6          HE22      GLN   6  -8.206  -5.732 -11.480
   40   2HE2  GLN   6          HE21      GLN   6  -7.091  -5.198 -10.318
   41    H    GLN   7           HN       GLN   7  -9.681  -7.763  -4.528
   42    HA   GLN   7           HA       GLN   7  -7.137  -7.659  -3.133
   43   1HB   GLN   7           HB2      GLN   7  -9.900  -7.822  -1.902
   44   2HB   GLN   7           HB1      GLN   7  -8.440  -7.152  -1.174
   45   1HG   GLN   7           HG2      GLN   7  -8.612  -5.186  -2.322
   46   2HG   GLN   7           HG1      GLN   7  -9.217  -5.975  -3.780
   47   1HE2  GLN   7          HE22      GLN   7 -12.620  -6.137  -2.261
   48   2HE2  GLN   7          HE21      GLN   7 -11.509  -7.274  -2.857
   49    H    ALA   8           HN       ALA   8  -9.525 -10.123  -3.739
   50    HA   ALA   8           HA       ALA   8  -8.937 -11.882  -1.570
   51   1HB   ALA   8           HB3      ALA   8 -10.518 -11.946  -3.932
   52   2HB   ALA   8           HB2      ALA   8  -9.497 -13.384  -3.953
   53   3HB   ALA   8           HB1      ALA   8 -10.557 -13.074  -2.577
   54    H    GLU   9           HN       GLU   9  -7.597 -11.791  -4.891
   55    HA   GLU   9           HA       GLU   9  -5.696 -13.902  -4.400
   56   1HB   GLU   9           HB2      GLU   9  -4.706 -13.247  -6.521
   57   2HB   GLU   9           HB1      GLU   9  -6.461 -13.167  -6.675
   58   1HG   GLU   9           HG2      GLU   9  -6.490 -10.823  -6.617
   59   2HG   GLU   9           HG1      GLU   9  -4.906 -10.727  -5.848
   60    H    ALA  10           HN       ALA  10  -5.714 -10.495  -3.704
   61    HA   ALA  10           HA       ALA  10  -2.821 -10.257  -3.438
   62   1HB   ALA  10           HB1      ALA  10  -5.185  -8.518  -2.832
   63   2HB   ALA  10           HB3      ALA  10  -3.638  -8.136  -2.077
   64   3HB   ALA  10           HB2      ALA  10  -3.775  -8.177  -3.835
   65    H    ARG  11           HN       ARG  11  -5.434 -11.323  -1.414
   66    HA   ARG  11           HA       ARG  11  -3.826 -11.035   1.048
   67   1HB   ARG  11           HB2      ARG  11  -6.648 -11.761   0.401
   68   2HB   ARG  11           HB1      ARG  11  -5.963 -12.411   1.891
   69   1HG   ARG  11           HG2      ARG  11  -5.119  -9.795   1.972
   70   2HG   ARG  11           HG1      ARG  11  -6.709  -9.645   1.223
   71   1HD   ARG  11           HD2      ARG  11  -7.483 -11.260   3.126
   72   2HD   ARG  11           HD1      ARG  11  -5.997 -10.753   3.929
   73    HE   ARG  11           HE       ARG  11  -7.736  -8.580   2.953
   74   1HH1  ARG  11          HH21      ARG  11  -5.794  -7.978   5.039
   75   2HH1  ARG  11          HH22      ARG  11  -6.719  -8.071   6.500
   76   1HH2  ARG  11          HH11      ARG  11  -9.326  -9.839   5.048
   77   2HH2  ARG  11          HH12      ARG  11  -8.719  -9.125   6.506
   78    H    ALA  12           HN       ALA  12  -5.308 -13.693  -0.840
   79    HA   ALA  12           HA       ALA  12  -4.458 -15.900   0.587
   80   1HB   ALA  12           HB1      ALA  12  -5.719 -16.025  -1.547
   81   2HB   ALA  12           HB3      ALA  12  -4.251 -15.591  -2.424
   82   3HB   ALA  12           HB2      ALA  12  -4.333 -17.117  -1.543
   83    H    PHE  13           HN       PHE  13  -2.481 -14.269  -1.923
   84    HA   PHE  13           HA       PHE  13  -0.118 -15.797  -1.343
   85   1HB   PHE  13           HB2      PHE  13  -0.840 -14.048  -3.322
   86   2HB   PHE  13           HB1      PHE  13   0.294 -13.069  -2.391
   87    HD1  PHE  13           HD1      PHE  13  -0.065 -16.536  -3.778
   88    HD2  PHE  13           HD2      PHE  13   2.578 -13.296  -2.802
   89    HE1  PHE  13           HE1      PHE  13   1.833 -17.788  -4.769
   90    HE2  PHE  13           HE2      PHE  13   4.478 -14.546  -3.792
   91    HZ   PHE  13           HZ       PHE  13   4.105 -16.793  -4.775
   92    H    LEU  14           HN       LEU  14  -1.341 -12.697  -0.131
   93    HA   LEU  14           HA       LEU  14   1.092 -12.289   1.483
   94   1HB   LEU  14           HB2      LEU  14  -1.426 -10.729   0.980
   95   2HB   LEU  14           HB1      LEU  14  -0.418 -10.334   2.372
   96    HG   LEU  14           HG       LEU  14   0.109  -9.047   0.238
   97   1HD1  LEU  14          HD13      LEU  14   2.064 -10.658   1.838
   98   2HD1  LEU  14          HD12      LEU  14   2.662  -9.724   0.466
   99   3HD1  LEU  14          HD11      LEU  14   1.828  -8.911   1.790
  100   1HD2  LEU  14          HD22      LEU  14  -0.189 -11.103  -1.223
  101   2HD2  LEU  14          HD21      LEU  14   1.288 -10.190  -1.525
  102   3HD2  LEU  14          HD23      LEU  14   1.351 -11.684  -0.591
  103    H    SER  15           HN       SER  15   0.812 -14.319   2.737
  104    HA   SER  15           HA       SER  15  -1.343 -15.087   4.301
  105   1HB   SER  15           HB2      SER  15   0.485 -15.726   6.048
  106   2HB   SER  15           HB1      SER  15   0.546 -16.477   4.457
  107    HG   SER  15           HG       SER  15   2.051 -14.285   5.439
  108    H    GLU  16           HN       GLU  16  -1.754 -14.689   6.667
  109    HA   GLU  16           HA       GLU  16  -2.022 -11.865   7.177
  110   1HB   GLU  16           HB2      GLU  16  -2.892 -14.343   8.392
  111   2HB   GLU  16           HB1      GLU  16  -2.296 -13.234   9.628
  112   1HG   GLU  16           HG2      GLU  16  -3.893 -11.612   9.139
  113   2HG   GLU  16           HG1      GLU  16  -4.115 -12.184   7.486
  114    H    GLU  17           HN       GLU  17   0.540 -14.087   7.683
  115    HA   GLU  17           HA       GLU  17   1.748 -12.848   9.992
  116   1HB   GLU  17           HB2      GLU  17   2.230 -15.155   8.721
  117   2HB   GLU  17           HB1      GLU  17   3.451 -14.164   7.921
  118   1HG   GLU  17           HG2      GLU  17   4.759 -14.142   9.758
  119   2HG   GLU  17           HG1      GLU  17   3.405 -13.691  10.795
  120    H    MET  18           HN       MET  18   2.411 -12.555   6.487
  121    HA   MET  18           HA       MET  18   4.471 -10.666   6.579
  122   1HB   MET  18           HB2      MET  18   2.490 -11.527   4.624
  123   2HB   MET  18           HB1      MET  18   2.865  -9.811   4.457
  124   1HG   MET  18           HG2      MET  18   5.247 -11.447   4.926
  125   2HG   MET  18           HG1      MET  18   4.392 -11.895   3.449
  126   1HE   MET  18           HE3      MET  18   6.796 -11.328   2.710
  127   2HE   MET  18           HE2      MET  18   5.731 -10.901   1.373
  128   3HE   MET  18           HE1      MET  18   7.050  -9.821   1.818
  129    H    ILE  19           HN       ILE  19   1.011  -9.822   6.144
  130    HA   ILE  19           HA       ILE  19   1.360  -7.043   6.647
  131    HB   ILE  19           HB       ILE  19  -1.132  -8.608   7.345
  132   1HG1  ILE  19          HG12      ILE  19  -1.344  -7.636   4.714
  133   2HG1  ILE  19          HG11      ILE  19   0.240  -8.410   4.796
  134   1HG2  ILE  19          HG21      ILE  19  -0.469  -5.874   7.357
  135   2HG2  ILE  19          HG23      ILE  19  -1.442  -6.113   5.905
  136   3HG2  ILE  19          HG22      ILE  19  -2.084  -6.572   7.481
  137   1HD1  ILE  19          HD13      ILE  19  -1.064 -10.327   6.025
  138   2HD1  ILE  19          HD12      ILE  19  -2.477  -9.612   5.249
  139   3HD1  ILE  19          HD11      ILE  19  -1.142 -10.217   4.266
  140    H    ALA  20           HN       ALA  20   1.287  -9.758   8.794
  141    HA   ALA  20           HA       ALA  20   0.421  -8.500  11.193
  142   1HB   ALA  20           HB1      ALA  20   0.882 -10.983  10.805
  143   2HB   ALA  20           HB3      ALA  20   2.590 -10.605  11.040
  144   3HB   ALA  20           HB2      ALA  20   1.438 -10.330  12.347
  145    H    GLU  21           HN       GLU  21   3.728  -8.863   9.870
  146    HA   GLU  21           HA       GLU  21   4.797  -7.094  11.966
  147   1HB   GLU  21           HB2      GLU  21   5.975  -9.136  10.816
  148   2HB   GLU  21           HB1      GLU  21   6.344  -7.975   9.542
  149   1HG   GLU  21           HG2      GLU  21   8.201  -7.891  11.036
  150   2HG   GLU  21           HG1      GLU  21   7.244  -6.451  11.390
  151    H    PHE  22           HN       PHE  22   3.400  -6.754   8.875
  152    HA   PHE  22           HA       PHE  22   4.845  -4.282   8.197
  153   1HB   PHE  22           HB2      PHE  22   3.974  -5.939   6.478
  154   2HB   PHE  22           HB1      PHE  22   2.349  -5.395   6.895
  155    HD1  PHE  22           HD2      PHE  22   5.701  -4.004   5.947
  156    HD2  PHE  22           HD1      PHE  22   1.432  -3.590   5.738
  157    HE1  PHE  22           HE2      PHE  22   5.966  -2.052   4.441
  158    HE2  PHE  22           HE1      PHE  22   1.695  -1.638   4.232
  159    HZ   PHE  22           HZ       PHE  22   3.961  -0.869   3.583
  160    H    LYS  23           HN       LYS  23   2.102  -5.199  10.035
  161    HA   LYS  23           HA       LYS  23   0.587  -2.743   9.706
  162   1HB   LYS  23           HB2      LYS  23  -0.224  -5.062  10.565
  163   2HB   LYS  23           HB1      LYS  23   0.419  -4.536  12.121
  164   1HG   LYS  23           HG2      LYS  23  -1.296  -3.106  12.460
  165   2HG   LYS  23           HG1      LYS  23  -1.188  -2.469  10.819
  166   1HD   LYS  23           HD2      LYS  23  -3.315  -3.515  10.910
  167   2HD   LYS  23           HD1      LYS  23  -2.283  -4.679  10.076
  168   1HE   LYS  23           HE2      LYS  23  -1.839  -5.660  12.436
  169   2HE   LYS  23           HE1      LYS  23  -3.263  -4.744  12.927
  170   1HZ   LYS  23           HZ1      LYS  23  -3.730  -6.155  10.506
  171   2HZ   LYS  23           HZ3      LYS  23  -3.227  -7.217  11.729
  172   3HZ   LYS  23           HZ2      LYS  23  -4.584  -6.224  11.973
  173    H    ALA  24           HN       ALA  24   3.453  -3.524  11.358
  174    HA   ALA  24           HA       ALA  24   3.110  -1.691  13.597
  175   1HB   ALA  24           HB1      ALA  24   4.974  -3.680  12.846
  176   2HB   ALA  24           HB3      ALA  24   5.879  -2.168  12.943
  177   3HB   ALA  24           HB2      ALA  24   4.960  -2.737  14.336
  178    H    ALA  25           HN       ALA  25   5.447  -1.557  10.876
  179    HA   ALA  25           HA       ALA  25   6.028   1.205  11.200
  180   1HB   ALA  25           HB3      ALA  25   7.041  -0.765   9.637
  181   2HB   ALA  25           HB2      ALA  25   6.105   0.127   8.437
  182   3HB   ALA  25           HB1      ALA  25   7.364   0.946   9.362
  183    H    PHE  26           HN       PHE  26   3.386  -0.415   9.551
  184    HA   PHE  26           HA       PHE  26   2.533   1.795   7.935
  185   1HB   PHE  26           HB2      PHE  26   1.674  -0.450   7.531
  186   2HB   PHE  26           HB1      PHE  26   0.952  -0.497   9.139
  187    HD1  PHE  26           HD2      PHE  26  -1.014   0.874   9.682
  188    HD2  PHE  26           HD1      PHE  26   0.691   0.872   5.741
  189    HE1  PHE  26           HE2      PHE  26  -3.059   1.960   8.796
  190    HE2  PHE  26           HE1      PHE  26  -1.355   1.960   4.856
  191    HZ   PHE  26           HZ       PHE  26  -3.231   2.503   6.384
  192    H    ASP  27           HN       ASP  27   1.287   0.657  11.099
  193    HA   ASP  27           HA       ASP  27  -0.300   3.065  11.464
  194   1HB   ASP  27           HB2      ASP  27  -0.627   0.674  12.493
  195   2HB   ASP  27           HB1      ASP  27   0.501   1.247  13.721
  196    H    MET  28           HN       MET  28   2.965   2.647  11.524
  197    HA   MET  28           HA       MET  28   3.929   3.773  13.895
  198   1HB   MET  28           HB2      MET  28   5.494   3.035  12.222
  199   2HB   MET  28           HB1      MET  28   4.861   4.184  11.043
  200   1HG   MET  28           HG2      MET  28   5.588   6.053  12.516
  201   2HG   MET  28           HG1      MET  28   6.296   4.876  13.622
  202   1HE   MET  28           HE1      MET  28   7.600   7.027  12.916
  203   2HE   MET  28           HE3      MET  28   9.221   6.362  12.673
  204   3HE   MET  28           HE2      MET  28   8.429   7.254  11.378
  205    H    PHE  29           HN       PHE  29   3.407   5.722  10.933
  206    HA   PHE  29           HA       PHE  29   3.373   8.206  12.366
  207   1HB   PHE  29           HB2      PHE  29   3.307   7.396   9.669
  208   2HB   PHE  29           HB1      PHE  29   1.829   8.325   9.917
  209    HD1  PHE  29           HD2      PHE  29   1.922  10.676  10.648
  210    HD2  PHE  29           HD1      PHE  29   5.499   8.423   9.880
  211    HE1  PHE  29           HE2      PHE  29   3.238  12.778  10.608
  212    HE2  PHE  29           HE1      PHE  29   6.814  10.526   9.840
  213    HZ   PHE  29           HZ       PHE  29   5.683  12.703  10.205
  214    H    ASP  30           HN       ASP  30   0.615   6.631  10.695
  215    HA   ASP  30           HA       ASP  30  -1.432   8.177  11.812
  216   1HB   ASP  30           HB2      ASP  30  -1.678   5.190  11.406
  217   2HB   ASP  30           HB1      ASP  30  -2.935   6.415  11.234
  218    H    ALA  31           HN       ALA  31  -1.197   8.673  14.006
  219    HA   ALA  31           HA       ALA  31  -1.417   6.342  15.871
  220   1HB   ALA  31           HB2      ALA  31   0.663   8.226  15.747
  221   2HB   ALA  31           HB1      ALA  31  -0.323   8.726  17.120
  222   3HB   ALA  31           HB3      ALA  31   0.344   7.094  17.062
  223    H    ASP  32           HN       ASP  32  -3.408   8.288  14.557
  224    HA   ASP  32           HA       ASP  32  -4.682   9.176  17.115
  225   1HB   ASP  32           HB2      ASP  32  -5.755  10.995  15.737
  226   2HB   ASP  32           HB1      ASP  32  -4.006  11.154  15.893
  227    H    GLY  33           HN       GLY  33  -4.867   6.799  15.020
  228   1HA   GLY  33           HA2      GLY  33  -6.704   5.293  14.761
  229   2HA   GLY  33           HA1      GLY  33  -7.798   6.575  15.281
  230    H    GLY  34           HN       GLY  34  -5.470   6.079  12.598
  231   1HA   GLY  34           HA2      GLY  34  -7.623   7.029  10.750
  232   2HA   GLY  34           HA1      GLY  34  -5.944   7.535  10.555
  233    H    GLY  35           HN       GLY  35  -4.707   5.030  11.129
  234   1HA   GLY  35           HA2      GLY  35  -3.944   3.204   9.856
  235   2HA   GLY  35           HA1      GLY  35  -5.650   2.756   9.831
  236    H    ASP  36           HN       ASP  36  -3.407   5.019   8.201
  237    HA   ASP  36           HA       ASP  36  -3.989   4.089   5.577
  238   1HB   ASP  36           HB2      ASP  36  -5.376   6.036   4.792
  239   2HB   ASP  36           HB1      ASP  36  -6.230   4.971   5.910
  240    H    ILE  37           HN       ILE  37  -3.160   5.733   3.905
  241    HA   ILE  37           HA       ILE  37  -1.508   7.911   4.963
  242    HB   ILE  37           HB       ILE  37   0.518   6.773   3.672
  243   1HG1  ILE  37          HG12      ILE  37  -0.356   4.253   4.878
  244   2HG1  ILE  37          HG11      ILE  37  -1.377   4.742   3.525
  245   1HG2  ILE  37          HG23      ILE  37   0.421   7.454   6.078
  246   2HG2  ILE  37          HG22      ILE  37  -0.307   5.893   6.454
  247   3HG2  ILE  37          HG21      ILE  37   1.337   5.970   5.819
  248   1HD1  ILE  37          HD12      ILE  37   1.355   5.234   2.818
  249   2HD1  ILE  37          HD11      ILE  37   1.224   3.583   3.421
  250   3HD1  ILE  37          HD13      ILE  37   0.218   4.111   2.072
  251    H    SER  38           HN       SER  38  -0.595   9.216   3.217
  252    HA   SER  38           HA       SER  38  -2.039   8.776   0.637
  253   1HB   SER  38           HB2      SER  38  -2.287  10.941   2.149
  254   2HB   SER  38           HB1      SER  38  -0.779  11.397   1.362
  255    HG   SER  38           HG       SER  38  -3.086  11.783   0.383
  256    H    THR  39           HN       THR  39  -0.329  10.800  -0.683
  257    HA   THR  39           HA       THR  39   1.779   9.008  -1.566
  258    HB   THR  39           HB       THR  39   2.421  10.814  -3.062
  259    HG1  THR  39           HG1      THR  39   0.620  12.393  -1.543
  260   1HG2  THR  39          HG22      THR  39  -0.580  10.617  -2.689
  261   2HG2  THR  39          HG21      THR  39   0.202  11.302  -4.114
  262   3HG2  THR  39          HG23      THR  39   0.422   9.597  -3.719
  263    H    LYS  40           HN       LYS  40   1.683  11.993   0.378
  264    HA   LYS  40           HA       LYS  40   4.446  12.387   0.731
  265   1HB   LYS  40           HB2      LYS  40   2.918  14.024   1.598
  266   2HB   LYS  40           HB1      LYS  40   2.131  12.832   2.632
  267   1HG   LYS  40           HG2      LYS  40   5.033  13.034   3.064
  268   2HG   LYS  40           HG1      LYS  40   4.153  14.517   3.439
  269   1HD   LYS  40           HD2      LYS  40   2.585  12.417   4.478
  270   2HD   LYS  40           HD1      LYS  40   4.248  12.042   4.930
  271   1HE   LYS  40           HE2      LYS  40   3.215  14.841   5.278
  272   2HE   LYS  40           HE1      LYS  40   2.817  13.611   6.477
  273   1HZ   LYS  40           HZ1      LYS  40   5.568  13.512   5.769
  274   2HZ   LYS  40           HZ3      LYS  40   5.146  15.062   6.315
  275   3HZ   LYS  40           HZ2      LYS  40   4.858  13.707   7.300
  276    H    GLU  41           HN       GLU  41   2.243  10.295   2.609
  277    HA   GLU  41           HA       GLU  41   4.471   9.250   4.208
  278   1HB   GLU  41           HB2      GLU  41   1.608   9.262   4.378
  279   2HB   GLU  41           HB1      GLU  41   2.166   7.589   4.433
  280   1HG   GLU  41           HG2      GLU  41   2.569   7.981   6.627
  281   2HG   GLU  41           HG1      GLU  41   3.983   8.874   6.065
  282    H    LEU  42           HN       LEU  42   2.874   8.469   1.239
  283    HA   LEU  42           HA       LEU  42   3.599   5.651   1.204
  284   1HB   LEU  42           HB2      LEU  42   1.725   6.604  -0.143
  285   2HB   LEU  42           HB1      LEU  42   2.906   7.487  -1.109
  286    HG   LEU  42           HG       LEU  42   3.839   4.842  -1.088
  287   1HD1  LEU  42          HD12      LEU  42   1.194   4.677  -0.367
  288   2HD1  LEU  42          HD11      LEU  42   1.096   4.548  -2.123
  289   3HD1  LEU  42          HD13      LEU  42   2.082   3.407  -1.208
  290   1HD2  LEU  42          HD22      LEU  42   3.123   6.876  -2.914
  291   2HD2  LEU  42          HD21      LEU  42   4.003   5.389  -3.269
  292   3HD2  LEU  42          HD23      LEU  42   2.247   5.434  -3.429
  293    H    GLY  43           HN       GLY  43   5.495   8.354   1.132
  294   1HA   GLY  43           HA2      GLY  43   7.601   6.902  -0.403
  295   2HA   GLY  43           HA1      GLY  43   7.317   8.617  -0.709
  296    H    THR  44           HN       THR  44   7.080   9.764   1.698
  297    HA   THR  44           HA       THR  44   9.686  10.052   2.672
  298    HB   THR  44           HB       THR  44   7.597  11.478   3.159
  299    HG1  THR  44           HG1      THR  44   9.846  11.452   4.190
  300   1HG2  THR  44          HG23      THR  44   6.493   9.358   4.238
  301   2HG2  THR  44          HG22      THR  44   7.413   9.833   5.666
  302   3HG2  THR  44          HG21      THR  44   6.227  10.940   4.972
  303    H    VAL  45           HN       VAL  45   7.267   7.713   3.780
  304    HA   VAL  45           HA       VAL  45   9.128   6.676   5.820
  305    HB   VAL  45           HB       VAL  45   6.251   6.046   5.085
  306   1HG1  VAL  45          HG13      VAL  45   8.052   4.606   7.057
  307   2HG1  VAL  45          HG12      VAL  45   6.315   4.351   6.896
  308   3HG1  VAL  45          HG11      VAL  45   7.395   3.925   5.569
  309   1HG2  VAL  45          HG21      VAL  45   7.535   7.773   6.965
  310   2HG2  VAL  45          HG23      VAL  45   5.808   7.484   6.760
  311   3HG2  VAL  45          HG22      VAL  45   6.744   6.484   7.871
  312    H    MET  46           HN       MET  46   7.670   6.048   2.736
  313    HA   MET  46           HA       MET  46   8.649   3.356   2.423
  314   1HB   MET  46           HB2      MET  46   6.899   4.937   1.024
  315   2HB   MET  46           HB1      MET  46   8.326   5.004  -0.011
  316   1HG   MET  46           HG2      MET  46   6.953   3.105  -0.681
  317   2HG   MET  46           HG1      MET  46   8.439   2.507   0.058
  318   1HE   MET  46           HE1      MET  46   5.089   3.923   0.804
  319   2HE   MET  46           HE3      MET  46   4.362   2.936   2.079
  320   3HE   MET  46           HE2      MET  46   5.616   4.109   2.475
  321    H    ARG  47           HN       ARG  47  10.221   6.345   2.638
  322    HA   ARG  47           HA       ARG  47  12.241   6.146   0.660
  323   1HB   ARG  47           HB2      ARG  47  11.984   8.136   2.137
  324   2HB   ARG  47           HB1      ARG  47  12.571   7.171   3.482
  325   1HG   ARG  47           HG2      ARG  47  14.412   6.857   1.324
  326   2HG   ARG  47           HG1      ARG  47  14.101   8.582   1.528
  327   1HD   ARG  47           HD2      ARG  47  14.448   7.143   4.069
  328   2HD   ARG  47           HD1      ARG  47  15.880   7.117   3.040
  329    HE   ARG  47           HE       ARG  47  14.773   9.780   3.187
  330   1HH1  ARG  47          HH21      ARG  47  17.297   7.736   4.087
  331   2HH1  ARG  47          HH22      ARG  47  17.870   8.734   5.380
  332   1HH2  ARG  47          HH11      ARG  47  15.206  10.943   5.212
  333   2HH2  ARG  47          HH12      ARG  47  16.686  10.547   6.018
  334    H    MET  48           HN       MET  48  11.534   4.330   3.475
  335    HA   MET  48           HA       MET  48  14.084   3.156   3.980
  336   1HB   MET  48           HB2      MET  48  11.249   2.198   4.183
  337   2HB   MET  48           HB1      MET  48  12.528   0.986   4.260
  338   1HG   MET  48           HG2      MET  48  13.581   2.774   5.954
  339   2HG   MET  48           HG1      MET  48  11.879   3.179   6.173
  340   1HE   MET  48           HE2      MET  48  10.799   2.617   7.655
  341   2HE   MET  48           HE1      MET  48  10.242   0.991   8.042
  342   3HE   MET  48           HE3      MET  48  11.510   1.750   9.015
  343    H    LEU  49           HN       LEU  49  11.523   1.966   1.797
  344    HA   LEU  49           HA       LEU  49  13.562   0.542   0.185
  345   1HB   LEU  49           HB2      LEU  49  10.605   0.485  -0.354
  346   2HB   LEU  49           HB1      LEU  49  11.814  -0.763  -0.662
  347    HG   LEU  49           HG       LEU  49  11.929  -0.298   2.107
  348   1HD1  LEU  49          HD12      LEU  49   9.720   0.873   1.818
  349   2HD1  LEU  49          HD11      LEU  49   9.055  -0.642   1.206
  350   3HD1  LEU  49          HD13      LEU  49   9.641  -0.543   2.867
  351   1HD2  LEU  49          HD22      LEU  49  12.019  -2.428   0.560
  352   2HD2  LEU  49          HD21      LEU  49  11.468  -2.584   2.228
  353   3HD2  LEU  49          HD23      LEU  49  10.293  -2.518   0.913
  354    H    GLY  50           HN       GLY  50  12.568   3.685   0.145
  355   1HA   GLY  50           HA2      GLY  50  13.459   4.515  -2.261
  356   2HA   GLY  50           HA1      GLY  50  11.908   3.818  -2.730
  357    H    GLN  51           HN       GLN  51  12.956   6.689  -2.558
  358    HA   GLN  51           HA       GLN  51  10.523   7.973  -1.898
  359   1HB   GLN  51           HB2      GLN  51  10.944   7.356   0.379
  360   2HB   GLN  51           HB1      GLN  51  12.554   8.083   0.308
  361   1HG   GLN  51           HG2      GLN  51  10.480   9.891  -0.591
  362   2HG   GLN  51           HG1      GLN  51  10.207   9.342   1.058
  363   1HE2  GLN  51          HE22      GLN  51  12.436  11.950   1.995
  364   2HE2  GLN  51          HE21      GLN  51  10.824  11.424   1.998
  365    H    ASN  52           HN       ASN  52  13.901   8.106  -2.573
  366    HA   ASN  52           HA       ASN  52  14.634  10.724  -2.552
  367   1HB   ASN  52           HB2      ASN  52  15.704   8.637  -3.762
  368   2HB   ASN  52           HB1      ASN  52  14.867   9.288  -5.171
  369   1HD2  ASN  52          HD22      ASN  52  17.629  11.802  -3.431
  370   2HD2  ASN  52          HD21      ASN  52  16.609  10.881  -2.434
  371    HA   PRO  53           HA       PRO  53  11.742  11.682  -6.233
  372   1HB   PRO  53           HB2      PRO  53   9.483  10.106  -6.380
  373   2HB   PRO  53           HB1      PRO  53  10.937   9.882  -7.362
  374   1HG   PRO  53           HG2      PRO  53   9.976   8.298  -5.039
  375   2HG   PRO  53           HG1      PRO  53  10.999   7.797  -6.393
  376   1HD   PRO  53           HD2      PRO  53  11.866   8.377  -3.829
  377   2HD   PRO  53           HD1      PRO  53  12.921   8.294  -5.235
  378    H    THR  54           HN       THR  54   9.727  12.964  -6.116
  379    HA   THR  54           HA       THR  54   9.118  13.681  -3.327
  380    HB   THR  54           HB       THR  54   8.690  15.725  -4.163
  381    HG1  THR  54           HG1      THR  54   7.137  14.778  -6.290
  382   1HG2  THR  54          HG22      THR  54  10.399  14.756  -5.849
  383   2HG2  THR  54          HG21      THR  54   9.031  14.728  -6.961
  384   3HG2  THR  54          HG23      THR  54   9.562  16.255  -6.256
  385    H    LYS  55           HN       LYS  55   6.578  14.590  -3.493
  386    HA   LYS  55           HA       LYS  55   5.152  12.093  -3.295
  387   1HB   LYS  55           HB2      LYS  55   3.516  13.307  -2.159
  388   2HB   LYS  55           HB1      LYS  55   4.976  14.225  -1.805
  389   1HG   LYS  55           HG2      LYS  55   4.430  15.700  -3.772
  390   2HG   LYS  55           HG1      LYS  55   2.884  14.862  -3.900
  391   1HD   LYS  55           HD2      LYS  55   3.433  15.729  -1.168
  392   2HD   LYS  55           HD1      LYS  55   3.409  17.082  -2.300
  393   1HE   LYS  55           HE2      LYS  55   1.152  16.968  -1.932
  394   2HE   LYS  55           HE1      LYS  55   1.244  15.724  -3.180
  395   1HZ   LYS  55           HZ1      LYS  55   1.875  14.415  -0.871
  396   2HZ   LYS  55           HZ3      LYS  55   0.630  15.466  -0.399
  397   3HZ   LYS  55           HZ2      LYS  55   0.377  14.367  -1.670
  398    H    GLU  56           HN       GLU  56   5.123  14.941  -5.365
  399    HA   GLU  56           HA       GLU  56   2.824  14.273  -6.873
  400   1HB   GLU  56           HB2      GLU  56   5.016  16.151  -7.074
  401   2HB   GLU  56           HB1      GLU  56   4.687  15.446  -8.657
  402   1HG   GLU  56           HG2      GLU  56   2.398  16.132  -8.592
  403   2HG   GLU  56           HG1      GLU  56   2.502  16.552  -6.881
  404    H    GLU  57           HN       GLU  57   6.184  13.244  -7.075
  405    HA   GLU  57           HA       GLU  57   5.853  11.725  -9.529
  406   1HB   GLU  57           HB2      GLU  57   8.073  12.503  -8.876
  407   2HB   GLU  57           HB1      GLU  57   7.964  11.619  -7.354
  408   1HG   GLU  57           HG2      GLU  57   9.191  10.125  -8.651
  409   2HG   GLU  57           HG1      GLU  57   7.548   9.548  -8.929
  410    H    LEU  58           HN       LEU  58   5.289  11.216  -6.156
  411    HA   LEU  58           HA       LEU  58   5.076   8.285  -6.441
  412   1HB   LEU  58           HB2      LEU  58   4.940  10.241  -4.162
  413   2HB   LEU  58           HB1      LEU  58   4.272   8.624  -3.958
  414    HG   LEU  58           HG       LEU  58   6.782   9.051  -3.325
  415   1HD1  LEU  58          HD13      LEU  58   5.850   6.755  -5.074
  416   2HD1  LEU  58          HD12      LEU  58   7.349   6.742  -4.144
  417   3HD1  LEU  58          HD11      LEU  58   5.795   6.837  -3.314
  418   1HD2  LEU  58          HD23      LEU  58   7.098  10.078  -5.724
  419   2HD2  LEU  58          HD22      LEU  58   8.357   9.060  -5.047
  420   3HD2  LEU  58          HD21      LEU  58   7.232   8.395  -6.226
  421    H    ASP  59           HN       ASP  59   3.172  10.773  -7.335
  422    HA   ASP  59           HA       ASP  59   0.613   9.897  -6.235
  423   1HB   ASP  59           HB2      ASP  59   1.071  12.262  -6.932
  424   2HB   ASP  59           HB1      ASP  59   1.163  11.712  -8.605
  425    H    ALA  60           HN       ALA  60   2.293   9.623  -9.372
  426    HA   ALA  60           HA       ALA  60   0.383   8.373 -10.939
  427   1HB   ALA  60           HB1      ALA  60   3.324   7.701 -10.643
  428   2HB   ALA  60           HB3      ALA  60   2.301   7.019 -11.907
  429   3HB   ALA  60           HB2      ALA  60   2.583   8.758 -11.845
  430    H    ILE  61           HN       ILE  61   2.479   6.773  -8.534
  431    HA   ILE  61           HA       ILE  61   1.180   4.197  -8.836
  432    HB   ILE  61           HB       ILE  61   2.507   4.917  -6.260
  433   1HG1  ILE  61          HG12      ILE  61   4.643   4.278  -7.901
  434   2HG1  ILE  61          HG11      ILE  61   3.704   5.401  -8.888
  435   1HG2  ILE  61          HG21      ILE  61   1.746   2.587  -7.519
  436   2HG2  ILE  61          HG23      ILE  61   3.476   2.662  -7.854
  437   3HG2  ILE  61          HG22      ILE  61   2.899   2.698  -6.188
  438   1HD1  ILE  61          HD11      ILE  61   4.195   6.026  -5.996
  439   2HD1  ILE  61          HD13      ILE  61   5.458   6.348  -7.182
  440   3HD1  ILE  61          HD12      ILE  61   3.885   7.130  -7.336
  441    H    ILE  62           HN       ILE  62   0.769   7.010  -6.752
  442    HA   ILE  62           HA       ILE  62  -1.278   5.705  -5.128
  443    HB   ILE  62           HB       ILE  62   0.143   8.301  -5.147
  444   1HG1  ILE  62          HG12      ILE  62   0.395   6.267  -3.580
  445   2HG1  ILE  62          HG11      ILE  62   0.328   7.862  -2.830
  446   1HG2  ILE  62          HG23      ILE  62  -2.728   8.103  -4.187
  447   2HG2  ILE  62          HG22      ILE  62  -1.618   9.372  -3.683
  448   3HG2  ILE  62          HG21      ILE  62  -2.082   9.232  -5.377
  449   1HD1  ILE  62          HD13      ILE  62  -2.193   6.264  -3.244
  450   2HD1  ILE  62          HD12      ILE  62  -1.167   5.968  -1.840
  451   3HD1  ILE  62          HD11      ILE  62  -1.885   7.560  -2.088
  452    H    GLU  63           HN       GLU  63  -1.316   6.593  -8.245
  453    HA   GLU  63           HA       GLU  63  -3.796   8.136  -8.323
  454   1HB   GLU  63           HB2      GLU  63  -1.922   8.146 -10.087
  455   2HB   GLU  63           HB1      GLU  63  -2.588   6.604 -10.629
  456   1HG   GLU  63           HG2      GLU  63  -4.351   7.602 -11.631
  457   2HG   GLU  63           HG1      GLU  63  -4.654   8.638 -10.235
  458    H    GLU  64           HN       GLU  64  -3.028   4.913  -9.690
  459    HA   GLU  64           HA       GLU  64  -5.678   4.052 -10.042
  460   1HB   GLU  64           HB2      GLU  64  -4.758   1.733  -9.882
  461   2HB   GLU  64           HB1      GLU  64  -3.799   2.779 -10.930
  462   1HG   GLU  64           HG2      GLU  64  -2.426   3.279  -8.766
  463   2HG   GLU  64           HG1      GLU  64  -3.165   1.797  -8.157
  464    H    VAL  65           HN       VAL  65  -3.720   4.072  -7.108
  465    HA   VAL  65           HA       VAL  65  -5.886   2.693  -5.620
  466    HB   VAL  65           HB       VAL  65  -4.245   2.807  -3.713
  467   1HG1  VAL  65          HG13      VAL  65  -3.919   1.378  -6.268
  468   2HG1  VAL  65          HG12      VAL  65  -2.454   1.435  -5.286
  469   3HG1  VAL  65          HG11      VAL  65  -3.937   0.748  -4.621
  470   1HG2  VAL  65          HG23      VAL  65  -3.099   4.863  -4.871
  471   2HG2  VAL  65          HG22      VAL  65  -2.098   3.706  -3.995
  472   3HG2  VAL  65          HG21      VAL  65  -2.194   3.635  -5.755
  473    H    ASP  66           HN       ASP  66  -4.692   5.849  -6.257
  474    HA   ASP  66           HA       ASP  66  -5.102   7.420  -4.071
  475   1HB   ASP  66           HB2      ASP  66  -5.159   7.876  -6.826
  476   2HB   ASP  66           HB1      ASP  66  -6.694   8.520  -6.244
  477    H    GLU  67           HN       GLU  67  -7.894   6.632  -6.200
  478    HA   GLU  67           HA       GLU  67  -9.920   7.600  -4.557
  479   1HB   GLU  67           HB2      GLU  67  -9.725   5.516  -6.627
  480   2HB   GLU  67           HB1      GLU  67 -11.043   5.260  -5.482
  481   1HG   GLU  67           HG2      GLU  67 -12.173   6.696  -6.847
  482   2HG   GLU  67           HG1      GLU  67 -11.296   7.932  -5.946
  483    H    ASP  68           HN       ASP  68 -10.903   6.927  -2.672
  484    HA   ASP  68           HA       ASP  68 -10.852   4.304  -1.591
  485   1HB   ASP  68           HB2      ASP  68  -8.358   5.642  -1.322
  486   2HB   ASP  68           HB1      ASP  68  -9.106   5.625   0.275
  487    H    GLY  69           HN       GLY  69 -10.297   7.594  -0.291
  488   1HA   GLY  69           HA2      GLY  69 -13.038   7.716   0.732
  489   2HA   GLY  69           HA1      GLY  69 -11.811   7.564   1.992
  490    H    SER  70           HN       SER  70  -9.763   9.094   0.695
  491    HA   SER  70           HA       SER  70 -10.871  11.723   0.048
  492   1HB   SER  70           HB2      SER  70 -10.945  11.505   2.605
  493   2HB   SER  70           HB1      SER  70  -9.184  11.514   2.548
  494    HG   SER  70           HG       SER  70  -9.483  13.605   2.566
  495    H    GLY  71           HN       GLY  71  -9.452  10.761  -1.776
  496   1HA   GLY  71           HA2      GLY  71  -7.417  10.727  -2.958
  497   2HA   GLY  71           HA1      GLY  71  -7.110  12.242  -2.109
  498    H    THR  72           HN       THR  72  -7.241   8.794  -1.131
  499    HA   THR  72           HA       THR  72  -4.418   8.831  -0.383
  500    HB   THR  72           HB       THR  72  -5.737   8.034   2.018
  501    HG1  THR  72           HG1      THR  72  -7.438   9.301   1.747
  502   1HG2  THR  72          HG23      THR  72  -4.029  10.427   1.285
  503   2HG2  THR  72          HG22      THR  72  -4.419   9.955   2.938
  504   3HG2  THR  72          HG21      THR  72  -3.464   8.881   1.917
  505    H    ILE  73           HN       ILE  73  -4.462   6.638   1.378
  506    HA   ILE  73           HA       ILE  73  -6.075   4.550   0.027
  507    HB   ILE  73           HB       ILE  73  -4.011   3.124  -0.220
  508   1HG1  ILE  73          HG12      ILE  73  -2.364   5.615  -0.123
  509   2HG1  ILE  73          HG11      ILE  73  -2.797   4.863   1.414
  510   1HG2  ILE  73          HG23      ILE  73  -5.053   4.471  -2.091
  511   2HG2  ILE  73          HG22      ILE  73  -3.862   5.729  -1.759
  512   3HG2  ILE  73          HG21      ILE  73  -3.335   4.136  -2.302
  513   1HD1  ILE  73          HD13      ILE  73  -1.658   3.227  -0.849
  514   2HD1  ILE  73          HD12      ILE  73  -0.603   4.089   0.273
  515   3HD1  ILE  73          HD11      ILE  73  -1.700   2.845   0.872
  516    H    ASP  74           HN       ASP  74  -5.616   2.361   1.203
  517    HA   ASP  74           HA       ASP  74  -4.704   2.605   3.981
  518   1HB   ASP  74           HB2      ASP  74  -7.035   1.661   4.728
  519   2HB   ASP  74           HB1      ASP  74  -6.850   3.399   4.489
  520    H    PHE  75           HN       PHE  75  -5.341   0.353   5.108
  521    HA   PHE  75           HA       PHE  75  -3.989  -1.710   3.799
  522   1HB   PHE  75           HB2      PHE  75  -5.897  -1.544   6.048
  523   2HB   PHE  75           HB1      PHE  75  -5.814  -3.125   5.269
  524    HD1  PHE  75           HD2      PHE  75  -3.078  -0.618   5.534
  525    HD2  PHE  75           HD1      PHE  75  -4.616  -4.389   6.896
  526    HE1  PHE  75           HE2      PHE  75  -0.933  -1.073   6.693
  527    HE2  PHE  75           HE1      PHE  75  -2.470  -4.845   8.055
  528    HZ   PHE  75           HZ       PHE  75  -0.630  -3.187   7.954
  529    H    GLU  76           HN       GLU  76  -7.272  -0.623   3.321
  530    HA   GLU  76           HA       GLU  76  -8.481  -2.860   2.148
  531   1HB   GLU  76           HB2      GLU  76  -8.744   0.091   1.769
  532   2HB   GLU  76           HB1      GLU  76  -9.508  -0.958   0.574
  533   1HG   GLU  76           HG2      GLU  76 -10.467  -2.236   2.620
  534   2HG   GLU  76           HG1      GLU  76 -10.035  -0.794   3.538
  535    H    GLU  77           HN       GLU  77  -7.708  -0.360  -0.184
  536    HA   GLU  77           HA       GLU  77  -6.949  -2.320  -2.165
  537   1HB   GLU  77           HB2      GLU  77  -6.533   0.684  -2.180
  538   2HB   GLU  77           HB1      GLU  77  -6.456  -0.381  -3.585
  539   1HG   GLU  77           HG2      GLU  77  -8.827  -1.048  -3.148
  540   2HG   GLU  77           HG1      GLU  77  -8.887   0.145  -1.852
  541    H    PHE  78           HN       PHE  78  -5.134  -0.140  -0.041
  542    HA   PHE  78           HA       PHE  78  -2.586  -0.258  -1.131
  543   1HB   PHE  78           HB2      PHE  78  -3.279   0.897   1.017
  544   2HB   PHE  78           HB1      PHE  78  -3.147  -0.666   1.819
  545    HD1  PHE  78           HD2      PHE  78  -0.797  -0.544  -0.828
  546    HD2  PHE  78           HD1      PHE  78  -1.455   0.878   3.173
  547    HE1  PHE  78           HE2      PHE  78   1.640  -0.193  -0.551
  548    HE2  PHE  78           HE1      PHE  78   0.984   1.228   3.447
  549    HZ   PHE  78           HZ       PHE  78   2.531   0.693   1.585
  550    H    LEU  79           HN       LEU  79  -4.421  -2.876   0.249
  551    HA   LEU  79           HA       LEU  79  -2.224  -4.658   0.783
  552   1HB   LEU  79           HB2      LEU  79  -5.180  -4.885   0.531
  553   2HB   LEU  79           HB1      LEU  79  -4.253  -6.367   0.288
  554    HG   LEU  79           HG       LEU  79  -3.761  -4.565   2.660
  555   1HD1  LEU  79          HD12      LEU  79  -6.176  -5.333   2.537
  556   2HD1  LEU  79          HD11      LEU  79  -5.576  -6.990   2.615
  557   3HD1  LEU  79          HD13      LEU  79  -5.296  -5.887   3.962
  558   1HD2  LEU  79          HD22      LEU  79  -2.110  -6.361   1.916
  559   2HD2  LEU  79          HD21      LEU  79  -2.689  -6.507   3.576
  560   3HD2  LEU  79          HD23      LEU  79  -3.353  -7.546   2.315
  561    H    VAL  80           HN       VAL  80  -4.417  -4.335  -2.030
  562    HA   VAL  80           HA       VAL  80  -3.108  -6.405  -3.554
  563    HB   VAL  80           HB       VAL  80  -5.398  -5.701  -4.068
  564   1HG1  VAL  80          HG12      VAL  80  -4.034  -3.051  -4.461
  565   2HG1  VAL  80          HG11      VAL  80  -5.506  -3.416  -5.361
  566   3HG1  VAL  80          HG13      VAL  80  -5.527  -3.414  -3.597
  567   1HG2  VAL  80          HG21      VAL  80  -3.243  -5.898  -5.968
  568   2HG2  VAL  80          HG23      VAL  80  -4.921  -6.410  -6.153
  569   3HG2  VAL  80          HG22      VAL  80  -4.448  -4.765  -6.578
  570    H    MET  81           HN       MET  81  -2.502  -2.984  -3.105
  571    HA   MET  81           HA       MET  81  -0.826  -2.631  -5.424
  572   1HB   MET  81           HB2      MET  81  -1.869  -0.787  -4.013
  573   2HB   MET  81           HB1      MET  81  -0.612  -1.109  -2.817
  574   1HG   MET  81           HG2      MET  81   1.130  -0.583  -4.414
  575   2HG   MET  81           HG1      MET  81  -0.048  -0.450  -5.720
  576   1HE   MET  81           HE1      MET  81   0.615   0.604  -2.142
  577   2HE   MET  81           HE3      MET  81  -0.080   2.224  -1.990
  578   3HE   MET  81           HE2      MET  81  -1.133   0.823  -2.169
  579    H    MET  82           HN       MET  82  -0.320  -4.109  -2.327
  580    HA   MET  82           HA       MET  82   2.620  -3.948  -2.570
  581   1HB   MET  82           HB2      MET  82   0.827  -4.224  -0.416
  582   2HB   MET  82           HB1      MET  82   1.682  -5.763  -0.517
  583   1HG   MET  82           HG2      MET  82   3.271  -3.239  -0.767
  584   2HG   MET  82           HG1      MET  82   2.716  -3.722   0.836
  585   1HE   MET  82           HE2      MET  82   5.061  -3.281   0.987
  586   2HE   MET  82           HE1      MET  82   5.610  -4.715   1.849
  587   3HE   MET  82           HE3      MET  82   6.398  -4.229   0.342
  588    H    VAL  83           HN       VAL  83   0.018  -6.328  -2.909
  589    HA   VAL  83           HA       VAL  83   1.792  -8.588  -3.240
  590    HB   VAL  83           HB       VAL  83  -0.712  -8.626  -2.646
  591   1HG1  VAL  83          HG11      VAL  83  -0.869  -8.313  -5.659
  592   2HG1  VAL  83          HG13      VAL  83  -2.212  -8.817  -4.633
  593   3HG1  VAL  83          HG12      VAL  83  -1.524  -7.203  -4.456
  594   1HG2  VAL  83          HG23      VAL  83   0.772 -10.600  -3.306
  595   2HG2  VAL  83          HG22      VAL  83  -0.958 -10.820  -3.571
  596   3HG2  VAL  83          HG21      VAL  83   0.101 -10.441  -4.930
  597    H    ARG  84           HN       ARG  84   0.182  -6.364  -5.500
  598    HA   ARG  84           HA       ARG  84   0.809  -7.627  -7.930
  599   1HB   ARG  84           HB2      ARG  84   0.272  -4.849  -7.061
  600   2HB   ARG  84           HB1      ARG  84   1.166  -5.000  -8.574
  601   1HG   ARG  84           HG2      ARG  84  -0.608  -6.697  -9.291
  602   2HG   ARG  84           HG1      ARG  84  -1.548  -6.150  -7.903
  603   1HD   ARG  84           HD2      ARG  84  -1.146  -3.763  -8.846
  604   2HD   ARG  84           HD1      ARG  84  -0.720  -4.590 -10.344
  605    HE   ARG  84           HE       ARG  84  -3.087  -5.723  -9.944
  606   1HH1  ARG  84          HH11      ARG  84  -3.304  -3.415  -7.802
  607   2HH1  ARG  84          HH12      ARG  84  -4.346  -2.333  -8.665
  608   1HH2  ARG  84          HH21      ARG  84  -3.921  -3.929 -11.714
  609   2HH2  ARG  84          HH22      ARG  84  -4.692  -2.622 -10.879
  610    H    GLN  85           HN       GLN  85   2.672  -4.731  -7.064
  611    HA   GLN  85           HA       GLN  85   4.994  -5.508  -8.482
  612   1HB   GLN  85           HB2      GLN  85   4.581  -3.200  -7.676
  613   2HB   GLN  85           HB1      GLN  85   4.828  -3.744  -6.017
  614   1HG   GLN  85           HG2      GLN  85   7.122  -4.289  -6.443
  615   2HG   GLN  85           HG1      GLN  85   6.912  -4.089  -8.183
  616   1HE2  GLN  85          HE22      GLN  85   6.514  -0.551  -6.153
  617   2HE2  GLN  85          HE21      GLN  85   5.587  -1.896  -5.694
  618    H    MET  86           HN       MET  86   5.555  -7.679  -8.004
  619    HA   MET  86           HA       MET  86   5.822  -8.718  -5.348
  620   1HB   MET  86           HB2      MET  86   6.399  -9.599  -8.070
  621   2HB   MET  86           HB1      MET  86   7.626 -10.144  -6.926
  622   1HG   MET  86           HG2      MET  86   4.706 -10.414  -6.253
  623   2HG   MET  86           HG1      MET  86   5.498 -11.616  -7.270
  624   1HE   MET  86           HE3      MET  86   4.284 -10.707  -4.298
  625   2HE   MET  86           HE2      MET  86   4.307 -12.458  -4.103
  626   3HE   MET  86           HE1      MET  86   5.179 -11.441  -2.960
  627    H    LYS  87           HN       LYS  87   7.280  -8.036  -3.861
  628    HA   LYS  87           HA       LYS  87   9.517  -6.366  -4.479
  629   1HB   LYS  87           HB2      LYS  87   8.723  -7.981  -2.060
  630   2HB   LYS  87           HB1      LYS  87  10.274  -7.141  -2.110
  631   1HG   LYS  87           HG2      LYS  87   7.626  -5.779  -2.671
  632   2HG   LYS  87           HG1      LYS  87   8.388  -5.801  -1.080
  633   1HD   LYS  87           HD2      LYS  87  10.368  -4.682  -1.970
  634   2HD   LYS  87           HD1      LYS  87   9.695  -4.735  -3.600
  635   1HE   LYS  87           HE2      LYS  87   7.926  -3.232  -3.019
  636   2HE   LYS  87           HE1      LYS  87   8.288  -3.368  -1.298
  637   1HZ   LYS  87           HZ1      LYS  87  10.614  -2.518  -2.109
  638   2HZ   LYS  87           HZ3      LYS  87   9.699  -1.878  -3.385
  639   3HZ   LYS  87           HZ2      LYS  87   9.348  -1.432  -1.784
  640    H    GLU  88           HN       GLU  88   9.098  -9.819  -4.492
  641    HA   GLU  88           HA       GLU  88  11.727 -10.743  -4.148
  642   1HB   GLU  88           HB2      GLU  88   9.519 -11.657  -6.005
  643   2HB   GLU  88           HB1      GLU  88  11.061 -12.506  -5.898
  644   1HG   GLU  88           HG2      GLU  88  10.604 -12.447  -3.314
  645   2HG   GLU  88           HG1      GLU  88   8.929 -12.189  -3.804
  646    H    ASP  89           HN       ASP  89  10.272  -9.042  -6.863
  647    HA   ASP  89           HA       ASP  89  12.801  -8.150  -7.857
  648   1HB   ASP  89           HB2      ASP  89  13.128 -10.426  -8.627
  649   2HB   ASP  89           HB1      ASP  89  11.516 -10.458  -9.345
  650    H    ALA  90           HN       ALA  90   9.743  -9.218  -9.401
  651    HA   ALA  90           HA       ALA  90   8.290  -7.997 -10.796
  652   1HB   ALA  90           HB1      ALA  90   8.913  -5.926  -8.669
  653   2HB   ALA  90           HB3      ALA  90   7.569  -5.832  -9.806
  654   3HB   ALA  90           HB2      ALA  90   7.619  -7.123  -8.605
   
  No H/Q in entry =         654
  Start of MODEL    8
    1   1H    ALA   1           HT1      ALA   1 -10.658  -3.789 -12.920
    2   2H    ALA   1           HT3      ALA   1 -10.794  -5.329 -13.621
    3   3H    ALA   1           HT2      ALA   1 -12.034  -4.186 -13.835
    4    HA   ALA   1           HA       ALA   1 -12.953  -5.474 -12.204
    5   1HB   ALA   1           HB1      ALA   1 -10.167  -6.166 -11.781
    6   2HB   ALA   1           HB3      ALA   1 -10.980  -5.882 -10.242
    7   3HB   ALA   1           HB2      ALA   1 -11.615  -7.084 -11.367
    8    H    SER   2           HN       SER   2 -14.048  -4.472 -10.542
    9    HA   SER   2           HA       SER   2 -13.628  -1.758  -9.933
   10   1HB   SER   2           HB2      SER   2 -15.410  -3.828  -9.087
   11   2HB   SER   2           HB1      SER   2 -14.816  -2.999  -7.650
   12    HG   SER   2           HG       SER   2 -15.776  -1.207  -8.278
   13    H    MET   3           HN       MET   3 -12.973  -4.480  -7.686
   14    HA   MET   3           HA       MET   3 -10.344  -3.726  -6.994
   15   1HB   MET   3           HB2      MET   3 -10.909  -2.648  -4.720
   16   2HB   MET   3           HB1      MET   3 -11.082  -1.632  -6.152
   17   1HG   MET   3           HG2      MET   3 -13.260  -1.325  -5.690
   18   2HG   MET   3           HG1      MET   3 -13.531  -3.066  -5.758
   19   1HE   MET   3           HE3      MET   3 -11.660  -0.510  -3.951
   20   2HE   MET   3           HE2      MET   3 -12.200  -0.508  -2.274
   21   3HE   MET   3           HE1      MET   3 -10.978  -1.666  -2.798
   22    H    THR   4           HN       THR   4 -13.432  -5.032  -5.944
   23    HA   THR   4           HA       THR   4 -12.734  -6.472  -3.659
   24    HB   THR   4           HB       THR   4 -14.552  -7.200  -5.962
   25    HG1  THR   4           HG1      THR   4 -16.097  -6.494  -4.578
   26   1HG2  THR   4          HG23      THR   4 -13.699  -8.792  -3.607
   27   2HG2  THR   4          HG22      THR   4 -15.430  -8.765  -3.946
   28   3HG2  THR   4          HG21      THR   4 -14.299  -9.332  -5.174
   29    H    ASP   5           HN       ASP   5 -13.058  -8.351  -6.644
   30    HA   ASP   5           HA       ASP   5 -11.436 -10.477  -6.020
   31   1HB   ASP   5           HB2      ASP   5 -12.391  -9.274  -8.463
   32   2HB   ASP   5           HB1      ASP   5 -10.750  -9.876  -8.698
   33    H    GLN   6           HN       GLN   6 -10.388  -7.238  -6.814
   34    HA   GLN   6           HA       GLN   6  -7.668  -7.684  -7.417
   35   1HB   GLN   6           HB2      GLN   6  -9.122  -5.478  -7.285
   36   2HB   GLN   6           HB1      GLN   6  -8.461  -5.394  -5.651
   37   1HG   GLN   6           HG2      GLN   6  -6.245  -5.226  -6.419
   38   2HG   GLN   6           HG1      GLN   6  -6.647  -5.883  -8.006
   39   1HE2  GLN   6          HE22      GLN   6  -6.381  -2.031  -7.941
   40   2HE2  GLN   6          HE21      GLN   6  -5.414  -3.184  -7.157
   41    H    GLN   7           HN       GLN   7  -9.008  -6.828  -4.201
   42    HA   GLN   7           HA       GLN   7  -6.575  -7.455  -2.805
   43   1HB   GLN   7           HB2      GLN   7  -7.922  -7.263  -0.776
   44   2HB   GLN   7           HB1      GLN   7  -8.372  -5.979  -1.899
   45   1HG   GLN   7           HG2      GLN   7 -10.448  -6.866  -2.297
   46   2HG   GLN   7           HG1      GLN   7  -9.881  -8.528  -2.143
   47   1HE2  GLN   7          HE22      GLN   7 -11.759  -8.310   0.918
   48   2HE2  GLN   7          HE21      GLN   7 -11.889  -8.759  -0.714
   49    H    ALA   8           HN       ALA   8  -8.920  -9.461  -4.219
   50    HA   ALA   8           HA       ALA   8  -8.745 -11.659  -2.314
   51   1HB   ALA   8           HB2      ALA   8 -10.449 -11.038  -4.380
   52   2HB   ALA   8           HB1      ALA   8  -9.470 -12.319  -5.093
   53   3HB   ALA   8           HB3      ALA   8 -10.358 -12.616  -3.598
   54    H    GLU   9           HN       GLU   9  -6.873 -10.550  -5.026
   55    HA   GLU   9           HA       GLU   9  -5.499 -13.136  -5.359
   56   1HB   GLU   9           HB2      GLU   9  -5.404 -10.461  -6.701
   57   2HB   GLU   9           HB1      GLU   9  -4.003 -11.521  -6.845
   58   1HG   GLU   9           HG2      GLU   9  -5.716 -13.356  -7.495
   59   2HG   GLU   9           HG1      GLU   9  -6.832 -12.017  -7.763
   60    H    ALA  10           HN       ALA  10  -5.035 -10.098  -3.688
   61    HA   ALA  10           HA       ALA  10  -2.196 -10.547  -3.175
   62   1HB   ALA  10           HB1      ALA  10  -4.212  -8.626  -1.980
   63   2HB   ALA  10           HB3      ALA  10  -2.501  -8.640  -1.554
   64   3HB   ALA  10           HB2      ALA  10  -2.995  -8.264  -3.204
   65    H    ARG  11           HN       ARG  11  -5.196 -10.808  -1.250
   66    HA   ARG  11           HA       ARG  11  -3.923 -11.712   1.146
   67   1HB   ARG  11           HB2      ARG  11  -6.619 -11.386   0.159
   68   2HB   ARG  11           HB1      ARG  11  -6.469 -12.927   1.005
   69   1HG   ARG  11           HG2      ARG  11  -5.777 -11.899   3.011
   70   2HG   ARG  11           HG1      ARG  11  -5.349 -10.394   2.195
   71   1HD   ARG  11           HD2      ARG  11  -7.401  -9.594   2.641
   72   2HD   ARG  11           HD1      ARG  11  -8.093 -10.879   1.650
   73    HE   ARG  11           HE       ARG  11  -7.526 -11.248   4.564
   74   1HH1  ARG  11          HH11      ARG  11  -8.872 -12.578   1.778
   75   2HH1  ARG  11          HH12      ARG  11 -10.357 -13.068   2.522
   76   1HH2  ARG  11          HH21      ARG  11  -9.695 -11.452   5.518
   77   2HH2  ARG  11          HH22      ARG  11 -10.824 -12.429   4.639
   78    H    ALA  12           HN       ALA  12  -4.837 -13.353  -1.808
   79    HA   ALA  12           HA       ALA  12  -4.907 -16.034  -0.958
   80   1HB   ALA  12           HB2      ALA  12  -4.918 -14.746  -3.403
   81   2HB   ALA  12           HB1      ALA  12  -3.397 -15.637  -3.448
   82   3HB   ALA  12           HB3      ALA  12  -4.914 -16.496  -3.181
   83    H    PHE  13           HN       PHE  13  -2.013 -14.517  -2.429
   84    HA   PHE  13           HA       PHE  13  -0.228 -16.516  -1.401
   85   1HB   PHE  13           HB2      PHE  13   0.375 -15.139  -3.336
   86   2HB   PHE  13           HB1      PHE  13   0.334 -13.686  -2.338
   87    HD1  PHE  13           HD1      PHE  13   1.673 -17.068  -1.492
   88    HD2  PHE  13           HD2      PHE  13   2.577 -12.946  -2.297
   89    HE1  PHE  13           HE1      PHE  13   4.029 -17.454  -0.824
   90    HE2  PHE  13           HE2      PHE  13   4.934 -13.332  -1.628
   91    HZ   PHE  13           HZ       PHE  13   5.660 -15.586  -0.891
   92    H    LEU  14           HN       LEU  14  -1.424 -13.473  -0.118
   93    HA   LEU  14           HA       LEU  14   0.488 -13.536   2.128
   94   1HB   LEU  14           HB2      LEU  14  -1.881 -11.693   1.700
   95   2HB   LEU  14           HB1      LEU  14  -0.528 -11.443   2.805
   96    HG   LEU  14           HG       LEU  14  -0.078 -11.790  -0.157
   97   1HD1  LEU  14          HD11      LEU  14  -1.337  -9.547   1.223
   98   2HD1  LEU  14          HD13      LEU  14   0.150  -9.068   0.405
   99   3HD1  LEU  14          HD12      LEU  14  -1.151  -9.834  -0.508
  100   1HD2  LEU  14          HD21      LEU  14   1.710 -11.847   1.797
  101   2HD2  LEU  14          HD23      LEU  14   2.060 -10.986   0.298
  102   3HD2  LEU  14          HD22      LEU  14   1.532 -10.094   1.724
  103    H    SER  15           HN       SER  15  -0.276 -15.649   2.939
  104    HA   SER  15           HA       SER  15  -2.782 -16.470   3.689
  105   1HB   SER  15           HB2      SER  15  -0.252 -16.611   5.349
  106   2HB   SER  15           HB1      SER  15  -1.717 -17.516   5.716
  107    HG   SER  15           HG       SER  15  -1.520 -18.304   3.477
  108    H    GLU  16           HN       GLU  16  -4.140 -16.178   5.545
  109    HA   GLU  16           HA       GLU  16  -4.617 -13.542   6.372
  110   1HB   GLU  16           HB2      GLU  16  -6.057 -15.684   6.676
  111   2HB   GLU  16           HB1      GLU  16  -5.170 -15.885   8.187
  112   1HG   GLU  16           HG2      GLU  16  -5.819 -13.327   8.507
  113   2HG   GLU  16           HG1      GLU  16  -7.129 -13.764   7.407
  114    H    GLU  17           HN       GLU  17  -3.086 -16.082   8.390
  115    HA   GLU  17           HA       GLU  17  -2.259 -14.460  10.515
  116   1HB   GLU  17           HB2      GLU  17  -0.684 -16.750   9.295
  117   2HB   GLU  17           HB1      GLU  17  -0.514 -16.130  10.938
  118   1HG   GLU  17           HG2      GLU  17  -3.280 -16.830  10.216
  119   2HG   GLU  17           HG1      GLU  17  -2.173 -18.203  10.211
  120    H    MET  18           HN       MET  18  -0.928 -14.689   7.285
  121    HA   MET  18           HA       MET  18   1.616 -13.486   7.796
  122   1HB   MET  18           HB2      MET  18   0.898 -14.643   5.660
  123   2HB   MET  18           HB1      MET  18  -0.024 -13.191   5.268
  124   1HG   MET  18           HG2      MET  18   1.950 -12.623   4.232
  125   2HG   MET  18           HG1      MET  18   2.328 -12.034   5.851
  126   1HE   MET  18           HE2      MET  18   4.030 -12.493   3.652
  127   2HE   MET  18           HE1      MET  18   5.454 -13.374   4.199
  128   3HE   MET  18           HE3      MET  18   4.294 -14.149   3.112
  129    H    ILE  19           HN       ILE  19  -1.509 -12.045   6.831
  130    HA   ILE  19           HA       ILE  19  -0.474  -9.337   6.893
  131    HB   ILE  19           HB       ILE  19  -3.373 -10.155   7.162
  132   1HG1  ILE  19          HG12      ILE  19  -2.657  -9.575   4.457
  133   2HG1  ILE  19          HG11      ILE  19  -1.545 -10.806   5.056
  134   1HG2  ILE  19          HG21      ILE  19  -2.474  -7.714   7.374
  135   2HG2  ILE  19          HG23      ILE  19  -2.235  -7.826   5.630
  136   3HG2  ILE  19          HG22      ILE  19  -3.850  -8.017   6.313
  137   1HD1  ILE  19          HD12      ILE  19  -4.244 -11.363   5.947
  138   2HD1  ILE  19          HD11      ILE  19  -4.194 -11.203   4.191
  139   3HD1  ILE  19          HD13      ILE  19  -3.156 -12.378   5.000
  140    H    ALA  20           HN       ALA  20  -1.894 -11.506   9.246
  141    HA   ALA  20           HA       ALA  20  -2.666  -9.574  11.202
  142   1HB   ALA  20           HB2      ALA  20  -3.060 -12.167  11.099
  143   2HB   ALA  20           HB1      ALA  20  -1.530 -12.248  11.972
  144   3HB   ALA  20           HB3      ALA  20  -2.898 -11.380  12.670
  145    H    GLU  21           HN       GLU  21   0.447 -11.086  10.468
  146    HA   GLU  21           HA       GLU  21   1.748  -9.903  12.809
  147   1HB   GLU  21           HB2      GLU  21   2.355 -11.971  11.005
  148   2HB   GLU  21           HB1      GLU  21   3.571 -10.729  10.706
  149   1HG   GLU  21           HG2      GLU  21   3.438 -10.752  13.455
  150   2HG   GLU  21           HG1      GLU  21   3.197 -12.453  13.058
  151    H    PHE  22           HN       PHE  22   1.780  -9.312   9.284
  152    HA   PHE  22           HA       PHE  22   3.533  -7.009   9.522
  153   1HB   PHE  22           HB2      PHE  22   2.966  -8.557   7.444
  154   2HB   PHE  22           HB1      PHE  22   1.690  -7.367   7.186
  155    HD1  PHE  22           HD2      PHE  22   5.353  -7.854   7.469
  156    HD2  PHE  22           HD1      PHE  22   2.189  -5.116   6.494
  157    HE1  PHE  22           HE2      PHE  22   7.010  -6.285   6.498
  158    HE2  PHE  22           HE1      PHE  22   3.847  -3.546   5.524
  159    HZ   PHE  22           HZ       PHE  22   6.257  -4.130   5.526
  160    H    LYS  23           HN       LYS  23   0.292  -7.488  10.294
  161    HA   LYS  23           HA       LYS  23  -0.928  -5.071   9.424
  162   1HB   LYS  23           HB2      LYS  23  -2.079  -7.067  10.492
  163   2HB   LYS  23           HB1      LYS  23  -1.490  -6.475  12.046
  164   1HG   LYS  23           HG2      LYS  23  -2.793  -4.417  10.388
  165   2HG   LYS  23           HG1      LYS  23  -3.867  -5.719  10.900
  166   1HD   LYS  23           HD2      LYS  23  -2.025  -4.559  12.945
  167   2HD   LYS  23           HD1      LYS  23  -3.417  -3.593  12.456
  168   1HE   LYS  23           HE2      LYS  23  -4.727  -4.842  13.789
  169   2HE   LYS  23           HE1      LYS  23  -4.338  -6.258  12.811
  170   1HZ   LYS  23           HZ2      LYS  23  -2.191  -6.294  14.185
  171   2HZ   LYS  23           HZ1      LYS  23  -3.033  -5.296  15.274
  172   3HZ   LYS  23           HZ3      LYS  23  -3.623  -6.845  14.915
  173    H    ALA  24           HN       ALA  24   1.526  -5.617  11.771
  174    HA   ALA  24           HA       ALA  24   0.961  -3.115  13.230
  175   1HB   ALA  24           HB1      ALA  24   1.863  -5.193  14.359
  176   2HB   ALA  24           HB3      ALA  24   3.372  -4.932  13.485
  177   3HB   ALA  24           HB2      ALA  24   2.808  -3.734  14.650
  178    H    ALA  25           HN       ALA  25   3.751  -4.424  11.396
  179    HA   ALA  25           HA       ALA  25   5.315  -2.139  11.224
  180   1HB   ALA  25           HB3      ALA  25   5.337  -4.595   9.992
  181   2HB   ALA  25           HB2      ALA  25   5.033  -3.514   8.632
  182   3HB   ALA  25           HB1      ALA  25   6.466  -3.288   9.637
  183    H    PHE  26           HN       PHE  26   2.252  -2.752   9.645
  184    HA   PHE  26           HA       PHE  26   2.476  -0.575   7.733
  185   1HB   PHE  26           HB2      PHE  26   0.926  -2.334   7.217
  186   2HB   PHE  26           HB1      PHE  26   0.126  -2.173   8.782
  187    HD1  PHE  26           HD2      PHE  26  -1.375  -0.295   9.252
  188    HD2  PHE  26           HD1      PHE  26   0.549  -0.707   5.433
  189    HE1  PHE  26           HE2      PHE  26  -2.919   1.393   8.292
  190    HE2  PHE  26           HE1      PHE  26  -0.994   0.981   4.474
  191    HZ   PHE  26           HZ       PHE  26  -2.728   2.031   5.903
  192    H    ASP  27           HN       ASP  27   0.837  -0.961  10.887
  193    HA   ASP  27           HA       ASP  27   0.036   1.861  10.900
  194   1HB   ASP  27           HB2      ASP  27  -0.279  -0.464  12.780
  195   2HB   ASP  27           HB1      ASP  27  -0.563   1.176  13.364
  196    H    MET  28           HN       MET  28   2.973   0.550  11.209
  197    HA   MET  28           HA       MET  28   3.912   1.662  13.706
  198   1HB   MET  28           HB2      MET  28   4.976   0.022  11.698
  199   2HB   MET  28           HB1      MET  28   5.966   1.482  11.656
  200   1HG   MET  28           HG2      MET  28   5.571   0.917  14.388
  201   2HG   MET  28           HG1      MET  28   5.934  -0.634  13.631
  202   1HE   MET  28           HE1      MET  28   7.016   2.533  15.008
  203   2HE   MET  28           HE3      MET  28   7.790   1.157  15.807
  204   3HE   MET  28           HE2      MET  28   8.772   2.385  15.012
  205    H    PHE  29           HN       PHE  29   3.417   2.938  10.495
  206    HA   PHE  29           HA       PHE  29   4.977   5.375  11.089
  207   1HB   PHE  29           HB2      PHE  29   3.212   5.084   8.681
  208   2HB   PHE  29           HB1      PHE  29   4.769   5.898   8.829
  209    HD1  PHE  29           HD1      PHE  29   6.761   4.254   9.602
  210    HD2  PHE  29           HD2      PHE  29   3.183   3.047   7.555
  211    HE1  PHE  29           HE1      PHE  29   7.909   2.207   8.802
  212    HE2  PHE  29           HE2      PHE  29   4.331   1.000   6.755
  213    HZ   PHE  29           HZ       PHE  29   6.694   0.580   7.378
  214    H    ASP  30           HN       ASP  30   1.633   4.797   9.932
  215    HA   ASP  30           HA       ASP  30   0.806   7.323  11.228
  216   1HB   ASP  30           HB2      ASP  30   0.055   6.115   8.877
  217   2HB   ASP  30           HB1      ASP  30  -1.266   5.661   9.955
  218    H    ALA  31           HN       ALA  31   1.189   6.370  13.423
  219    HA   ALA  31           HA       ALA  31  -0.796   4.331  14.253
  220   1HB   ALA  31           HB2      ALA  31   1.639   4.272  15.003
  221   2HB   ALA  31           HB1      ALA  31   1.284   5.698  15.977
  222   3HB   ALA  31           HB3      ALA  31   0.447   4.180  16.298
  223    H    ASP  32           HN       ASP  32   0.107   7.705  14.936
  224    HA   ASP  32           HA       ASP  32  -2.205   8.028  16.730
  225   1HB   ASP  32           HB2      ASP  32  -1.382  10.281  17.070
  226   2HB   ASP  32           HB1      ASP  32  -0.004   9.182  17.129
  227    H    GLY  33           HN       GLY  33  -1.821   7.950  13.433
  228   1HA   GLY  33           HA2      GLY  33  -3.643  10.183  12.813
  229   2HA   GLY  33           HA1      GLY  33  -2.923   9.078  11.641
  230    H    GLY  34           HN       GLY  34  -3.740   6.670  13.116
  231   1HA   GLY  34           HA2      GLY  34  -6.084   5.938  13.896
  232   2HA   GLY  34           HA1      GLY  34  -6.649   6.752  12.436
  233    H    GLY  35           HN       GLY  35  -4.446   5.921  10.754
  234   1HA   GLY  35           HA2      GLY  35  -3.517   3.513  10.361
  235   2HA   GLY  35           HA1      GLY  35  -5.222   3.060  10.417
  236    H    ASP  36           HN       ASP  36  -2.996   5.265   8.694
  237    HA   ASP  36           HA       ASP  36  -3.835   4.440   6.106
  238   1HB   ASP  36           HB2      ASP  36  -5.112   6.569   5.501
  239   2HB   ASP  36           HB1      ASP  36  -5.979   5.418   6.519
  240    H    ILE  37           HN       ILE  37  -2.765   5.689   4.427
  241    HA   ILE  37           HA       ILE  37  -0.825   7.712   5.471
  242    HB   ILE  37           HB       ILE  37  -0.103   5.804   3.255
  243   1HG1  ILE  37          HG12      ILE  37   1.129   4.597   5.256
  244   2HG1  ILE  37          HG11      ILE  37  -0.181   5.292   6.214
  245   1HG2  ILE  37          HG21      ILE  37   1.464   7.375   5.324
  246   2HG2  ILE  37          HG23      ILE  37   2.182   6.298   4.126
  247   3HG2  ILE  37          HG22      ILE  37   1.330   7.752   3.607
  248   1HD1  ILE  37          HD11      ILE  37  -1.567   4.291   4.082
  249   2HD1  ILE  37          HD13      ILE  37  -0.259   3.116   4.215
  250   3HD1  ILE  37          HD12      ILE  37  -1.318   3.418   5.593
  251    H    SER  38           HN       SER  38  -0.391   9.437   4.040
  252    HA   SER  38           HA       SER  38  -2.348   9.704   1.825
  253   1HB   SER  38           HB2      SER  38  -0.444  11.881   2.615
  254   2HB   SER  38           HB1      SER  38  -2.098  12.008   2.024
  255    HG   SER  38           HG       SER  38  -1.129  11.444   4.589
  256    H    THR  39           HN       THR  39  -0.954  11.500   0.193
  257    HA   THR  39           HA       THR  39   0.847   9.637  -1.194
  258    HB   THR  39           HB       THR  39   0.864  11.366  -2.965
  259    HG1  THR  39           HG1      THR  39   0.729  13.258  -1.940
  260   1HG2  THR  39          HG22      THR  39  -1.423   9.965  -1.948
  261   2HG2  THR  39          HG21      THR  39  -1.955  11.508  -2.616
  262   3HG2  THR  39          HG23      THR  39  -1.045  10.378  -3.619
  263    H    LYS  40           HN       LYS  40   1.066  12.657   0.623
  264    HA   LYS  40           HA       LYS  40   3.839  13.161  -0.055
  265   1HB   LYS  40           HB2      LYS  40   3.762  14.816   1.748
  266   2HB   LYS  40           HB1      LYS  40   2.296  14.933   0.776
  267   1HG   LYS  40           HG2      LYS  40   1.199  13.371   2.463
  268   2HG   LYS  40           HG1      LYS  40   2.619  13.621   3.481
  269   1HD   LYS  40           HD2      LYS  40   2.213  16.077   3.394
  270   2HD   LYS  40           HD1      LYS  40   0.743  15.776   2.465
  271   1HE   LYS  40           HE2      LYS  40  -0.416  15.274   4.331
  272   2HE   LYS  40           HE1      LYS  40   0.813  14.115   4.840
  273   1HZ   LYS  40           HZ2      LYS  40   1.570  16.894   5.098
  274   2HZ   LYS  40           HZ1      LYS  40   0.293  16.412   6.110
  275   3HZ   LYS  40           HZ3      LYS  40   1.783  15.604   6.182
  276    H    GLU  41           HN       GLU  41   2.180  11.457   2.573
  277    HA   GLU  41           HA       GLU  41   4.708  10.907   3.966
  278   1HB   GLU  41           HB2      GLU  41   2.272  11.154   4.960
  279   2HB   GLU  41           HB1      GLU  41   2.152   9.444   4.544
  280   1HG   GLU  41           HG2      GLU  41   3.124   9.090   6.564
  281   2HG   GLU  41           HG1      GLU  41   4.618   9.552   5.748
  282    H    LEU  42           HN       LEU  42   2.753   9.446   1.514
  283    HA   LEU  42           HA       LEU  42   3.863   6.756   1.891
  284   1HB   LEU  42           HB2      LEU  42   1.663   6.767   1.010
  285   2HB   LEU  42           HB1      LEU  42   2.044   8.040  -0.149
  286    HG   LEU  42           HG       LEU  42   3.610   5.512  -0.354
  287   1HD1  LEU  42          HD12      LEU  42   0.658   5.750  -0.783
  288   2HD1  LEU  42          HD11      LEU  42   1.594   4.799  -1.936
  289   3HD1  LEU  42          HD13      LEU  42   1.600   4.367  -0.225
  290   1HD2  LEU  42          HD21      LEU  42   2.774   7.807  -2.004
  291   2HD2  LEU  42          HD23      LEU  42   4.216   6.799  -2.131
  292   3HD2  LEU  42          HD22      LEU  42   2.696   6.257  -2.842
  293    H    GLY  43           HN       GLY  43   5.003   9.627   0.556
  294   1HA   GLY  43           HA2      GLY  43   6.737   8.154  -1.383
  295   2HA   GLY  43           HA1      GLY  43   6.368   9.875  -1.492
  296    H    THR  44           HN       THR  44   6.715  10.012   1.552
  297    HA   THR  44           HA       THR  44   9.544  10.709   1.472
  298    HB   THR  44           HB       THR  44   9.111  11.131   3.981
  299    HG1  THR  44           HG1      THR  44   7.308   9.808   4.196
  300   1HG2  THR  44          HG21      THR  44   7.738  12.494   1.683
  301   2HG2  THR  44          HG23      THR  44   7.486  13.079   3.328
  302   3HG2  THR  44          HG22      THR  44   9.111  13.046   2.642
  303    H    VAL  45           HN       VAL  45   7.606   8.114   2.916
  304    HA   VAL  45           HA       VAL  45   9.641   6.912   4.488
  305    HB   VAL  45           HB       VAL  45   7.315   5.642   3.011
  306   1HG1  VAL  45          HG13      VAL  45   9.175   4.050   3.634
  307   2HG1  VAL  45          HG12      VAL  45   8.930   4.518   5.317
  308   3HG1  VAL  45          HG11      VAL  45   7.638   3.711   4.430
  309   1HG2  VAL  45          HG21      VAL  45   7.367   7.409   5.170
  310   2HG2  VAL  45          HG23      VAL  45   6.028   6.349   4.730
  311   3HG2  VAL  45          HG22      VAL  45   7.214   5.822   5.924
  312    H    MET  46           HN       MET  46   8.803   6.506   1.056
  313    HA   MET  46           HA       MET  46  10.912   4.523   0.635
  314   1HB   MET  46           HB2      MET  46  10.328   4.816  -1.777
  315   2HB   MET  46           HB1      MET  46   8.915   4.465  -0.781
  316   1HG   MET  46           HG2      MET  46   8.187   6.722  -0.823
  317   2HG   MET  46           HG1      MET  46   9.750   7.300  -1.400
  318   1HE   MET  46           HE3      MET  46   6.483   5.852  -1.909
  319   2HE   MET  46           HE2      MET  46   6.239   5.561  -3.629
  320   3HE   MET  46           HE1      MET  46   7.132   4.390  -2.664
  321    H    ARG  47           HN       ARG  47  10.545   7.999   0.396
  322    HA   ARG  47           HA       ARG  47  12.760   8.629  -1.252
  323   1HB   ARG  47           HB2      ARG  47  11.268  10.397  -0.605
  324   2HB   ARG  47           HB1      ARG  47  11.551  10.093   1.109
  325   1HG   ARG  47           HG2      ARG  47  14.055  10.564  -0.280
  326   2HG   ARG  47           HG1      ARG  47  12.940  11.910  -0.519
  327   1HD   ARG  47           HD2      ARG  47  12.591  12.062   1.917
  328   2HD   ARG  47           HD1      ARG  47  13.698  10.712   2.162
  329    HE   ARG  47           HE       ARG  47  15.356  12.358   0.883
  330   1HH1  ARG  47          HH11      ARG  47  13.932  14.817   0.993
  331   2HH1  ARG  47          HH12      ARG  47  14.276  15.467   2.561
  332   1HH2  ARG  47          HH21      ARG  47  15.371  12.449   3.868
  333   2HH2  ARG  47          HH22      ARG  47  15.090  14.128   4.187
  334    H    MET  48           HN       MET  48  12.593   7.785   2.180
  335    HA   MET  48           HA       MET  48  15.103   8.482   3.119
  336   1HB   MET  48           HB2      MET  48  13.614   5.872   3.515
  337   2HB   MET  48           HB1      MET  48  15.042   6.329   4.443
  338   1HG   MET  48           HG2      MET  48  13.320   8.569   4.509
  339   2HG   MET  48           HG1      MET  48  12.303   7.161   4.817
  340   1HE   MET  48           HE2      MET  48  12.203   5.820   6.658
  341   2HE   MET  48           HE1      MET  48  13.772   5.051   6.428
  342   3HE   MET  48           HE3      MET  48  13.316   5.682   8.017
  343    H    LEU  49           HN       LEU  49  14.933   5.052   2.420
  344    HA   LEU  49           HA       LEU  49  17.566   5.256   1.091
  345   1HB   LEU  49           HB2      LEU  49  17.288   2.661   1.116
  346   2HB   LEU  49           HB1      LEU  49  17.585   3.493   2.640
  347    HG   LEU  49           HG       LEU  49  15.241   3.423   3.217
  348   1HD1  LEU  49          HD13      LEU  49  14.876   2.288   0.429
  349   2HD1  LEU  49          HD12      LEU  49  13.612   2.313   1.659
  350   3HD1  LEU  49          HD11      LEU  49  14.262   3.828   1.031
  351   1HD2  LEU  49          HD23      LEU  49  16.218   0.783   2.084
  352   2HD2  LEU  49          HD22      LEU  49  16.469   1.382   3.724
  353   3HD2  LEU  49          HD21      LEU  49  14.848   0.944   3.184
  354    H    GLY  50           HN       GLY  50  15.225   6.255  -0.314
  355   1HA   GLY  50           HA2      GLY  50  15.272   4.378  -2.643
  356   2HA   GLY  50           HA1      GLY  50  13.782   5.188  -2.153
  357    H    GLN  51           HN       GLN  51  13.329   6.962  -3.373
  358    HA   GLN  51           HA       GLN  51  15.581   8.757  -4.158
  359   1HB   GLN  51           HB2      GLN  51  13.516   8.596  -6.212
  360   2HB   GLN  51           HB1      GLN  51  15.264   8.481  -6.390
  361   1HG   GLN  51           HG2      GLN  51  14.906   6.074  -5.370
  362   2HG   GLN  51           HG1      GLN  51  13.252   6.302  -5.943
  363   1HE2  GLN  51          HE22      GLN  51  16.284   5.872  -8.670
  364   2HE2  GLN  51          HE21      GLN  51  16.655   6.179  -7.042
  365    H    ASN  52           HN       ASN  52  14.894  10.995  -4.067
  366    HA   ASN  52           HA       ASN  52  12.469  11.492  -2.642
  367   1HB   ASN  52           HB2      ASN  52  13.914  13.355  -4.560
  368   2HB   ASN  52           HB1      ASN  52  12.738  13.842  -3.339
  369   1HD2  ASN  52          HD22      ASN  52  15.339  14.253  -1.009
  370   2HD2  ASN  52          HD21      ASN  52  13.925  14.873  -1.714
  371    HA   PRO  53           HA       PRO  53   9.931  10.830  -6.252
  372   1HB   PRO  53           HB2      PRO  53   7.580  10.666  -4.862
  373   2HB   PRO  53           HB1      PRO  53   8.774   9.357  -4.905
  374   1HG   PRO  53           HG2      PRO  53   8.080  11.143  -2.655
  375   2HG   PRO  53           HG1      PRO  53   8.934   9.593  -2.635
  376   1HD   PRO  53           HD2      PRO  53  10.075  12.259  -2.513
  377   2HD   PRO  53           HD1      PRO  53  10.909  10.690  -2.417
  378    H    THR  54           HN       THR  54   7.406  11.850  -6.587
  379    HA   THR  54           HA       THR  54   7.770  14.800  -6.239
  380    HB   THR  54           HB       THR  54   6.150  13.617  -8.477
  381    HG1  THR  54           HG1      THR  54   8.801  14.278  -8.955
  382   1HG2  THR  54          HG22      THR  54   7.348  16.212  -7.717
  383   2HG2  THR  54          HG21      THR  54   7.469  15.797  -9.428
  384   3HG2  THR  54          HG23      THR  54   5.888  15.873  -8.648
  385    H    LYS  55           HN       LYS  55   5.739  16.015  -6.043
  386    HA   LYS  55           HA       LYS  55   3.915  14.922  -4.177
  387   1HB   LYS  55           HB2      LYS  55   4.070  17.320  -4.450
  388   2HB   LYS  55           HB1      LYS  55   3.581  17.204  -6.141
  389   1HG   LYS  55           HG2      LYS  55   1.674  17.899  -4.762
  390   2HG   LYS  55           HG1      LYS  55   1.389  16.291  -5.428
  391   1HD   LYS  55           HD2      LYS  55   1.647  15.242  -3.385
  392   2HD   LYS  55           HD1      LYS  55   2.725  16.492  -2.762
  393   1HE   LYS  55           HE2      LYS  55  -0.043  17.360  -3.394
  394   2HE   LYS  55           HE1      LYS  55   0.132  16.279  -2.012
  395   1HZ   LYS  55           HZ3      LYS  55   2.137  18.300  -2.028
  396   2HZ   LYS  55           HZ2      LYS  55   0.581  18.982  -2.040
  397   3HZ   LYS  55           HZ1      LYS  55   1.029  17.897  -0.810
  398    H    GLU  56           HN       GLU  56   3.744  15.122  -7.709
  399    HA   GLU  56           HA       GLU  56   1.119  13.790  -7.691
  400   1HB   GLU  56           HB2      GLU  56   1.136  14.133 -10.099
  401   2HB   GLU  56           HB1      GLU  56   1.635  15.629  -9.310
  402   1HG   GLU  56           HG2      GLU  56   3.653  15.570 -10.309
  403   2HG   GLU  56           HG1      GLU  56   3.917  13.902  -9.796
  404    H    GLU  57           HN       GLU  57   4.421  12.910  -7.813
  405    HA   GLU  57           HA       GLU  57   4.332  10.606  -9.482
  406   1HB   GLU  57           HB2      GLU  57   6.359  11.766  -8.315
  407   2HB   GLU  57           HB1      GLU  57   5.984  10.690  -6.969
  408   1HG   GLU  57           HG2      GLU  57   5.956   9.271  -9.513
  409   2HG   GLU  57           HG1      GLU  57   7.513  10.043  -9.215
  410    H    LEU  58           HN       LEU  58   3.505  11.049  -6.059
  411    HA   LEU  58           HA       LEU  58   2.970   8.205  -5.657
  412   1HB   LEU  58           HB2      LEU  58   2.279  10.642  -3.988
  413   2HB   LEU  58           HB1      LEU  58   2.022   8.973  -3.476
  414    HG   LEU  58           HG       LEU  58   4.113   9.563  -2.528
  415   1HD1  LEU  58          HD11      LEU  58   3.972   7.485  -4.211
  416   2HD1  LEU  58          HD13      LEU  58   5.198   8.422  -5.065
  417   3HD1  LEU  58          HD12      LEU  58   5.476   7.918  -3.397
  418   1HD2  LEU  58          HD23      LEU  58   4.275  11.636  -4.054
  419   2HD2  LEU  58          HD22      LEU  58   5.789  10.853  -3.601
  420   3HD2  LEU  58          HD21      LEU  58   5.097  10.575  -5.198
  421    H    ASP  59           HN       ASP  59   1.286  10.823  -7.054
  422    HA   ASP  59           HA       ASP  59  -1.408   9.959  -6.406
  423   1HB   ASP  59           HB2      ASP  59  -0.210  12.157  -7.745
  424   2HB   ASP  59           HB1      ASP  59  -1.291  11.384  -8.904
  425    H    ALA  60           HN       ALA  60   0.993   9.010  -8.726
  426    HA   ALA  60           HA       ALA  60  -0.789   7.820 -10.660
  427   1HB   ALA  60           HB1      ALA  60   1.728   8.378 -10.913
  428   2HB   ALA  60           HB3      ALA  60   2.011   6.847 -10.087
  429   3HB   ALA  60           HB2      ALA  60   1.153   6.872 -11.628
  430    H    ILE  61           HN       ILE  61   1.192   6.371  -8.052
  431    HA   ILE  61           HA       ILE  61   0.008   3.760  -8.294
  432    HB   ILE  61           HB       ILE  61   1.008   4.743  -5.647
  433   1HG1  ILE  61          HG12      ILE  61   3.315   3.994  -6.968
  434   2HG1  ILE  61          HG11      ILE  61   2.466   4.949  -8.185
  435   1HG2  ILE  61          HG23      ILE  61   0.679   2.237  -7.084
  436   2HG2  ILE  61          HG22      ILE  61   2.322   2.418  -6.466
  437   3HG2  ILE  61          HG21      ILE  61   0.948   2.513  -5.362
  438   1HD1  ILE  61          HD13      ILE  61   2.059   6.464  -5.950
  439   2HD1  ILE  61          HD12      ILE  61   3.661   5.801  -5.627
  440   3HD1  ILE  61          HD11      ILE  61   3.371   6.728  -7.098
  441    H    ILE  62           HN       ILE  62  -0.761   6.634  -6.387
  442    HA   ILE  62           HA       ILE  62  -2.800   5.424  -4.778
  443    HB   ILE  62           HB       ILE  62  -2.301   8.283  -5.640
  444   1HG1  ILE  62          HG12      ILE  62  -0.705   7.161  -4.054
  445   2HG1  ILE  62          HG11      ILE  62  -1.536   8.549  -3.349
  446   1HG2  ILE  62          HG22      ILE  62  -4.417   7.161  -3.783
  447   2HG2  ILE  62          HG21      ILE  62  -3.966   8.865  -3.840
  448   3HG2  ILE  62          HG23      ILE  62  -4.684   8.095  -5.256
  449   1HD1  ILE  62          HD11      ILE  62  -3.204   6.308  -2.893
  450   2HD1  ILE  62          HD13      ILE  62  -1.567   5.804  -2.476
  451   3HD1  ILE  62          HD12      ILE  62  -2.279   7.216  -1.698
  452    H    GLU  63           HN       GLU  63  -2.661   6.265  -8.089
  453    HA   GLU  63           HA       GLU  63  -5.493   6.765  -8.493
  454   1HB   GLU  63           HB2      GLU  63  -3.100   6.793 -10.074
  455   2HB   GLU  63           HB1      GLU  63  -4.298   5.781 -10.884
  456   1HG   GLU  63           HG2      GLU  63  -5.634   7.548 -11.366
  457   2HG   GLU  63           HG1      GLU  63  -5.413   8.262  -9.768
  458    H    GLU  64           HN       GLU  64  -3.372   3.924  -8.845
  459    HA   GLU  64           HA       GLU  64  -5.643   2.249  -9.672
  460   1HB   GLU  64           HB2      GLU  64  -4.030   0.469  -9.876
  461   2HB   GLU  64           HB1      GLU  64  -3.293   1.927 -10.539
  462   1HG   GLU  64           HG2      GLU  64  -1.621   1.813  -9.040
  463   2HG   GLU  64           HG1      GLU  64  -2.777   1.798  -7.709
  464    H    VAL  65           HN       VAL  65  -6.249   3.342  -7.232
  465    HA   VAL  65           HA       VAL  65  -6.862   1.076  -5.637
  466    HB   VAL  65           HB       VAL  65  -5.282   2.125  -3.664
  467   1HG1  VAL  65          HG12      VAL  65  -5.394  -0.240  -5.309
  468   2HG1  VAL  65          HG11      VAL  65  -3.714   0.149  -4.941
  469   3HG1  VAL  65          HG13      VAL  65  -4.873  -0.084  -3.632
  470   1HG2  VAL  65          HG23      VAL  65  -4.240   3.453  -5.731
  471   2HG2  VAL  65          HG22      VAL  65  -3.216   2.832  -4.436
  472   3HG2  VAL  65          HG21      VAL  65  -3.361   1.941  -5.950
  473    H    ASP  66           HN       ASP  66  -5.791   4.429  -4.948
  474    HA   ASP  66           HA       ASP  66  -7.995   4.918  -3.148
  475   1HB   ASP  66           HB2      ASP  66  -5.853   6.178  -3.057
  476   2HB   ASP  66           HB1      ASP  66  -6.242   6.917  -4.610
  477    H    GLU  67           HN       GLU  67  -9.906   4.394  -4.316
  478    HA   GLU  67           HA       GLU  67 -10.498   5.629  -6.883
  479   1HB   GLU  67           HB2      GLU  67 -11.558   3.524  -5.362
  480   2HB   GLU  67           HB1      GLU  67 -12.838   4.738  -5.408
  481   1HG   GLU  67           HG2      GLU  67 -12.769   4.813  -7.823
  482   2HG   GLU  67           HG1      GLU  67 -11.344   3.775  -7.861
  483    H    ASP  68           HN       ASP  68 -11.820   6.066  -3.583
  484    HA   ASP  68           HA       ASP  68 -13.582   8.152  -4.003
  485   1HB   ASP  68           HB2      ASP  68 -12.569   7.005  -1.782
  486   2HB   ASP  68           HB1      ASP  68 -11.706   8.542  -1.726
  487    H    GLY  69           HN       GLY  69 -10.086   8.269  -4.215
  488   1HA   GLY  69           HA2      GLY  69  -8.813   9.938  -5.334
  489   2HA   GLY  69           HA1      GLY  69 -10.269  10.927  -5.456
  490    H    SER  70           HN       SER  70  -9.559   9.615  -2.346
  491    HA   SER  70           HA       SER  70  -9.301  12.266  -1.203
  492   1HB   SER  70           HB2      SER  70 -10.316  10.594   0.174
  493   2HB   SER  70           HB1      SER  70  -8.975   9.478  -0.073
  494    HG   SER  70           HG       SER  70  -8.919  10.613   1.957
  495    H    GLY  71           HN       GLY  71  -7.068   9.904  -2.424
  496   1HA   GLY  71           HA2      GLY  71  -4.767  10.319  -2.907
  497   2HA   GLY  71           HA1      GLY  71  -4.843  11.766  -1.902
  498    H    THR  72           HN       THR  72  -6.069   8.716  -0.722
  499    HA   THR  72           HA       THR  72  -3.582   8.184   0.792
  500    HB   THR  72           HB       THR  72  -4.402   9.357   2.572
  501    HG1  THR  72           HG1      THR  72  -4.659   7.460   3.527
  502   1HG2  THR  72          HG22      THR  72  -6.260  10.253   1.098
  503   2HG2  THR  72          HG21      THR  72  -7.250   8.904   1.656
  504   3HG2  THR  72          HG23      THR  72  -6.670  10.109   2.808
  505    H    ILE  73           HN       ILE  73  -4.076   6.131   2.266
  506    HA   ILE  73           HA       ILE  73  -6.110   4.349   1.100
  507    HB   ILE  73           HB       ILE  73  -4.045   2.637   0.857
  508   1HG1  ILE  73          HG12      ILE  73  -2.197   3.899  -0.316
  509   2HG1  ILE  73          HG11      ILE  73  -2.931   5.394   0.264
  510   1HG2  ILE  73          HG23      ILE  73  -5.846   3.731  -0.819
  511   2HG2  ILE  73          HG22      ILE  73  -4.379   4.473  -1.459
  512   3HG2  ILE  73          HG21      ILE  73  -4.519   2.716  -1.385
  513   1HD1  ILE  73          HD13      ILE  73  -2.554   3.360   2.359
  514   2HD1  ILE  73          HD12      ILE  73  -1.051   3.943   1.646
  515   3HD1  ILE  73          HD11      ILE  73  -2.178   5.084   2.382
  516    H    ASP  74           HN       ASP  74  -6.054   2.178   2.253
  517    HA   ASP  74           HA       ASP  74  -5.245   2.617   5.093
  518   1HB   ASP  74           HB2      ASP  74  -7.256   0.659   3.935
  519   2HB   ASP  74           HB1      ASP  74  -6.940   0.929   5.650
  520    H    PHE  75           HN       PHE  75  -5.449  -0.190   5.788
  521    HA   PHE  75           HA       PHE  75  -2.828  -1.048   4.728
  522   1HB   PHE  75           HB2      PHE  75  -2.546  -2.105   6.718
  523   2HB   PHE  75           HB1      PHE  75  -3.930  -1.159   7.249
  524    HD1  PHE  75           HD2      PHE  75  -6.247  -2.355   6.110
  525    HD2  PHE  75           HD1      PHE  75  -2.668  -4.289   7.490
  526    HE1  PHE  75           HE2      PHE  75  -7.522  -4.450   6.482
  527    HE2  PHE  75           HE1      PHE  75  -3.942  -6.384   7.860
  528    HZ   PHE  75           HZ       PHE  75  -6.369  -6.465   7.355
  529    H    GLU  76           HN       GLU  76  -6.189  -1.768   4.328
  530    HA   GLU  76           HA       GLU  76  -5.792  -4.458   3.280
  531   1HB   GLU  76           HB2      GLU  76  -7.950  -3.589   4.290
  532   2HB   GLU  76           HB1      GLU  76  -8.168  -2.637   2.821
  533   1HG   GLU  76           HG2      GLU  76  -8.866  -4.439   1.656
  534   2HG   GLU  76           HG1      GLU  76  -7.498  -5.405   2.209
  535    H    GLU  77           HN       GLU  77  -6.814  -1.399   1.700
  536    HA   GLU  77           HA       GLU  77  -6.411  -2.407  -0.956
  537   1HB   GLU  77           HB2      GLU  77  -6.300   0.488  -0.057
  538   2HB   GLU  77           HB1      GLU  77  -6.660  -0.105  -1.679
  539   1HG   GLU  77           HG2      GLU  77  -8.827   0.091  -0.998
  540   2HG   GLU  77           HG1      GLU  77  -8.521  -1.464  -0.225
  541    H    PHE  78           HN       PHE  78  -4.291  -0.736   1.326
  542    HA   PHE  78           HA       PHE  78  -2.171  -0.182  -0.526
  543   1HB   PHE  78           HB2      PHE  78  -2.417   0.817   1.777
  544   2HB   PHE  78           HB1      PHE  78  -1.900  -0.732   2.442
  545    HD1  PHE  78           HD2      PHE  78  -0.799   1.445  -0.419
  546    HD2  PHE  78           HD1      PHE  78   0.324  -0.738   3.105
  547    HE1  PHE  78           HE2      PHE  78   1.572   2.080  -0.781
  548    HE2  PHE  78           HE1      PHE  78   2.694  -0.103   2.746
  549    HZ   PHE  78           HZ       PHE  78   3.318   1.306   0.801
  550    H    LEU  79           HN       LEU  79  -2.897  -2.987   1.529
  551    HA   LEU  79           HA       LEU  79  -0.478  -4.415   1.126
  552   1HB   LEU  79           HB2      LEU  79  -3.039  -4.940   2.255
  553   2HB   LEU  79           HB1      LEU  79  -2.683  -6.250   1.127
  554    HG   LEU  79           HG       LEU  79  -0.281  -5.686   2.539
  555   1HD1  LEU  79          HD11      LEU  79  -2.728  -5.964   4.307
  556   2HD1  LEU  79          HD13      LEU  79  -1.072  -6.197   4.865
  557   3HD1  LEU  79          HD12      LEU  79  -1.591  -4.616   4.284
  558   1HD2  LEU  79          HD21      LEU  79  -2.053  -7.888   1.907
  559   2HD2  LEU  79          HD23      LEU  79  -0.317  -7.918   2.218
  560   3HD2  LEU  79          HD22      LEU  79  -1.456  -8.039   3.560
  561    H    VAL  80           HN       VAL  80  -3.208  -3.881  -0.989
  562    HA   VAL  80           HA       VAL  80  -2.866  -6.007  -2.825
  563    HB   VAL  80           HB       VAL  80  -3.654  -3.143  -3.440
  564   1HG1  VAL  80          HG13      VAL  80  -3.071  -4.702  -5.375
  565   2HG1  VAL  80          HG12      VAL  80  -4.447  -5.686  -4.875
  566   3HG1  VAL  80          HG11      VAL  80  -4.698  -4.023  -5.405
  567   1HG2  VAL  80          HG21      VAL  80  -5.096  -5.483  -2.244
  568   2HG2  VAL  80          HG23      VAL  80  -5.221  -3.771  -1.840
  569   3HG2  VAL  80          HG22      VAL  80  -5.990  -4.391  -3.301
  570    H    MET  81           HN       MET  81  -1.732  -2.666  -3.435
  571    HA   MET  81           HA       MET  81   0.096  -3.373  -5.482
  572   1HB   MET  81           HB2      MET  81  -0.491  -1.067  -5.235
  573   2HB   MET  81           HB1      MET  81   0.034  -1.044  -3.551
  574   1HG   MET  81           HG2      MET  81   2.100  -1.868  -5.507
  575   2HG   MET  81           HG1      MET  81   1.582  -0.186  -5.618
  576   1HE   MET  81           HE3      MET  81   0.913   1.015  -3.647
  577   2HE   MET  81           HE2      MET  81   0.955   0.251  -2.060
  578   3HE   MET  81           HE1      MET  81   2.163   1.463  -2.480
  579    H    MET  82           HN       MET  82   0.301  -3.833  -2.078
  580    HA   MET  82           HA       MET  82   3.185  -3.840  -1.850
  581   1HB   MET  82           HB2      MET  82   1.130  -3.905  -0.048
  582   2HB   MET  82           HB1      MET  82   1.657  -5.589  -0.019
  583   1HG   MET  82           HG2      MET  82   3.740  -3.439   0.086
  584   2HG   MET  82           HG1      MET  82   2.815  -3.789   1.546
  585   1HE   MET  82           HE1      MET  82   5.960  -4.043   0.891
  586   2HE   MET  82           HE3      MET  82   5.332  -4.309   2.522
  587   3HE   MET  82           HE2      MET  82   6.406  -5.494   1.784
  588    H    VAL  83           HN       VAL  83   0.742  -6.351  -2.462
  589    HA   VAL  83           HA       VAL  83   2.764  -8.466  -2.557
  590    HB   VAL  83           HB       VAL  83   0.465  -8.964  -1.822
  591   1HG1  VAL  83          HG12      VAL  83  -0.136  -7.584  -4.350
  592   2HG1  VAL  83          HG11      VAL  83  -1.056  -9.070  -4.116
  593   3HG1  VAL  83          HG13      VAL  83  -1.138  -7.783  -2.913
  594   1HG2  VAL  83          HG21      VAL  83   2.022 -10.493  -3.445
  595   2HG2  VAL  83          HG23      VAL  83   0.481 -11.042  -2.786
  596   3HG2  VAL  83          HG22      VAL  83   0.558 -10.391  -4.423
  597    H    ARG  84           HN       ARG  84   1.388  -6.196  -4.776
  598    HA   ARG  84           HA       ARG  84   2.000  -7.755  -7.170
  599   1HB   ARG  84           HB2      ARG  84   0.706  -5.222  -6.540
  600   2HB   ARG  84           HB1      ARG  84   1.797  -5.069  -7.919
  601   1HG   ARG  84           HG2      ARG  84   0.671  -6.767  -9.139
  602   2HG   ARG  84           HG1      ARG  84  -0.181  -7.343  -7.705
  603   1HD   ARG  84           HD2      ARG  84  -1.870  -5.908  -8.083
  604   2HD   ARG  84           HD1      ARG  84  -0.749  -4.547  -8.095
  605    HE   ARG  84           HE       ARG  84  -1.875  -5.841 -10.441
  606   1HH1  ARG  84          HH11      ARG  84  -0.248  -3.164  -9.381
  607   2HH1  ARG  84          HH12      ARG  84   0.756  -2.974 -10.780
  608   1HH2  ARG  84          HH21      ARG  84  -0.118  -6.032 -12.154
  609   2HH2  ARG  84          HH22      ARG  84   0.828  -4.596 -12.349
  610    H    GLN  85           HN       GLN  85   3.213  -4.502  -6.326
  611    HA   GLN  85           HA       GLN  85   5.761  -5.155  -7.649
  612   1HB   GLN  85           HB2      GLN  85   4.649  -2.930  -7.942
  613   2HB   GLN  85           HB1      GLN  85   4.933  -2.605  -6.231
  614   1HG   GLN  85           HG2      GLN  85   7.390  -3.509  -7.378
  615   2HG   GLN  85           HG1      GLN  85   6.739  -2.237  -8.412
  616   1HE2  GLN  85          HE22      GLN  85   8.707  -0.818  -5.457
  617   2HE2  GLN  85          HE21      GLN  85   9.077  -2.075  -6.536
  618    H    MET  86           HN       MET  86   6.734  -6.668  -6.228
  619    HA   MET  86           HA       MET  86   7.019  -6.089  -3.386
  620   1HB   MET  86           HB2      MET  86   8.039  -8.211  -5.255
  621   2HB   MET  86           HB1      MET  86   8.759  -8.041  -3.654
  622   1HG   MET  86           HG2      MET  86   5.855  -7.932  -3.526
  623   2HG   MET  86           HG1      MET  86   6.411  -9.429  -4.275
  624   1HE   MET  86           HE1      MET  86   5.257 -10.676  -2.298
  625   2HE   MET  86           HE3      MET  86   5.614 -10.405  -0.587
  626   3HE   MET  86           HE2      MET  86   4.813  -9.153  -1.532
  627    H    LYS  87           HN       LYS  87   8.454  -4.623  -2.623
  628    HA   LYS  87           HA       LYS  87  10.471  -3.412  -4.276
  629   1HB   LYS  87           HB2      LYS  87  10.514  -3.371  -1.260
  630   2HB   LYS  87           HB1      LYS  87  11.018  -2.108  -2.384
  631   1HG   LYS  87           HG2      LYS  87   8.427  -2.369  -3.125
  632   2HG   LYS  87           HG1      LYS  87   8.297  -2.806  -1.421
  633   1HD   LYS  87           HD2      LYS  87  10.027  -0.518  -1.694
  634   2HD   LYS  87           HD1      LYS  87   8.497  -0.202  -2.514
  635   1HE   LYS  87           HE2      LYS  87   8.172  -1.539   0.082
  636   2HE   LYS  87           HE1      LYS  87   8.917   0.055   0.202
  637   1HZ   LYS  87           HZ1      LYS  87   7.094   0.929  -1.170
  638   2HZ   LYS  87           HZ3      LYS  87   6.357  -0.599  -1.151
  639   3HZ   LYS  87           HZ2      LYS  87   6.543   0.270   0.296
  640    H    GLU  88           HN       GLU  88  10.431  -6.317  -2.431
  641    HA   GLU  88           HA       GLU  88  13.309  -6.422  -1.959
  642   1HB   GLU  88           HB2      GLU  88  12.881  -8.743  -1.268
  643   2HB   GLU  88           HB1      GLU  88  11.706  -7.657  -0.528
  644   1HG   GLU  88           HG2      GLU  88  10.186  -9.147  -1.342
  645   2HG   GLU  88           HG1      GLU  88  10.426  -8.268  -2.852
  646    H    ASP  89           HN       ASP  89  11.531  -6.592  -4.748
  647    HA   ASP  89           HA       ASP  89  12.230  -7.179  -6.924
  648   1HB   ASP  89           HB2      ASP  89  14.574  -6.804  -5.852
  649   2HB   ASP  89           HB1      ASP  89  14.636  -8.563  -5.752
  650    H    ALA  90           HN       ALA  90  10.404  -8.653  -6.884
  651    HA   ALA  90           HA       ALA  90  11.158 -11.499  -6.364
  652   1HB   ALA  90           HB1      ALA  90   8.527 -10.028  -6.246
  653   2HB   ALA  90           HB3      ALA  90   8.577 -11.782  -6.424
  654   3HB   ALA  90           HB2      ALA  90   9.289 -11.019  -5.002
   
  No H/Q in entry =         654
  Start of MODEL    9
    1   1H    ALA   1           HT1      ALA   1  -9.639  -9.034  -9.731
    2   2H    ALA   1           HT3      ALA   1  -9.818  -9.953  -8.317
    3   3H    ALA   1           HT2      ALA   1  -9.795 -10.723  -9.831
    4    HA   ALA   1           HA       ALA   1 -11.902 -10.013 -10.400
    5   1HB   ALA   1           HB3      ALA   1 -11.773 -10.485  -7.412
    6   2HB   ALA   1           HB2      ALA   1 -13.292 -10.389  -8.304
    7   3HB   ALA   1           HB1      ALA   1 -12.131 -11.665  -8.673
    8    H    SER   2           HN       SER   2 -11.788  -7.793 -11.058
    9    HA   SER   2           HA       SER   2 -12.098  -5.469 -10.836
   10   1HB   SER   2           HB2      SER   2 -14.230  -6.704  -9.092
   11   2HB   SER   2           HB1      SER   2 -14.141  -4.965  -9.350
   12    HG   SER   2           HG       SER   2 -15.266  -6.726 -10.904
   13    H    MET   3           HN       MET   3 -13.214  -5.874  -7.550
   14    HA   MET   3           HA       MET   3 -10.584  -5.078  -6.448
   15   1HB   MET   3           HB2      MET   3 -12.289  -3.081  -7.133
   16   2HB   MET   3           HB1      MET   3 -12.868  -3.431  -5.503
   17   1HG   MET   3           HG2      MET   3 -11.115  -2.324  -4.635
   18   2HG   MET   3           HG1      MET   3 -10.009  -3.432  -5.447
   19   1HE   MET   3           HE2      MET   3  -8.219  -2.534  -6.587
   20   2HE   MET   3           HE1      MET   3  -9.172  -3.123  -7.947
   21   3HE   MET   3           HE3      MET   3  -8.352  -1.559  -8.048
   22    H    THR   4           HN       THR   4 -14.030  -5.697  -5.767
   23    HA   THR   4           HA       THR   4 -13.773  -6.271  -3.003
   24    HB   THR   4           HB       THR   4 -15.692  -7.248  -5.124
   25    HG1  THR   4           HG1      THR   4 -16.132  -5.673  -2.820
   26   1HG2  THR   4          HG21      THR   4 -15.346  -8.152  -2.304
   27   2HG2  THR   4          HG23      THR   4 -16.994  -7.884  -2.874
   28   3HG2  THR   4          HG22      THR   4 -15.951  -9.039  -3.704
   29    H    ASP   5           HN       ASP   5 -14.634  -8.977  -5.089
   30    HA   ASP   5           HA       ASP   5 -13.464 -11.005  -3.628
   31   1HB   ASP   5           HB2      ASP   5 -14.292 -10.659  -6.399
   32   2HB   ASP   5           HB1      ASP   5 -12.920 -11.763  -6.266
   33    H    GLN   6           HN       GLN   6 -11.838  -8.701  -5.710
   34    HA   GLN   6           HA       GLN   6  -9.369  -9.872  -6.189
   35   1HB   GLN   6           HB2      GLN   6 -10.385  -7.295  -6.296
   36   2HB   GLN   6           HB1      GLN   6  -9.083  -7.159  -5.113
   37   1HG   GLN   6           HG2      GLN   6  -8.772  -8.441  -7.843
   38   2HG   GLN   6           HG1      GLN   6  -8.319  -6.778  -7.472
   39   1HE2  GLN   6          HE22      GLN   6  -5.378  -9.142  -6.979
   40   2HE2  GLN   6          HE21      GLN   6  -6.464  -8.945  -8.269
   41    H    GLN   7           HN       GLN   7 -10.205  -8.043  -3.226
   42    HA   GLN   7           HA       GLN   7  -7.831  -8.536  -1.795
   43   1HB   GLN   7           HB2      GLN   7  -9.409  -6.969  -0.909
   44   2HB   GLN   7           HB1      GLN   7 -10.687  -8.183  -0.861
   45   1HG   GLN   7           HG2      GLN   7  -8.486  -9.200   0.642
   46   2HG   GLN   7           HG1      GLN   7  -8.774  -7.543   1.172
   47   1HE2  GLN   7          HE22      GLN   7 -12.382  -8.554   1.754
   48   2HE2  GLN   7          HE21      GLN   7 -11.652  -7.536   0.609
   49    H    ALA   8           HN       ALA   8 -10.698 -10.593  -2.167
   50    HA   ALA   8           HA       ALA   8 -10.185 -12.533  -0.211
   51   1HB   ALA   8           HB3      ALA   8 -11.977 -12.287  -2.275
   52   2HB   ALA   8           HB2      ALA   8 -10.999 -13.654  -2.811
   53   3HB   ALA   8           HB1      ALA   8 -11.821 -13.716  -1.253
   54    H    GLU   9           HN       GLU   9  -9.065 -12.671  -3.617
   55    HA   GLU   9           HA       GLU   9  -7.357 -14.937  -3.157
   56   1HB   GLU   9           HB2      GLU   9  -7.285 -12.829  -5.336
   57   2HB   GLU   9           HB1      GLU   9  -6.374 -14.339  -5.365
   58   1HG   GLU   9           HG2      GLU   9  -8.627 -15.523  -5.043
   59   2HG   GLU   9           HG1      GLU   9  -9.373 -13.973  -5.434
   60    H    ALA  10           HN       ALA  10  -6.884 -11.471  -2.812
   61    HA   ALA  10           HA       ALA  10  -4.049 -11.383  -2.825
   62   1HB   ALA  10           HB2      ALA  10  -6.114  -9.757  -1.331
   63   2HB   ALA  10           HB1      ALA  10  -4.388  -9.416  -1.215
   64   3HB   ALA  10           HB3      ALA  10  -5.206  -9.302  -2.773
   65    H    ARG  11           HN       ARG  11  -6.270 -11.903  -0.063
   66    HA   ARG  11           HA       ARG  11  -4.102 -12.387   1.798
   67   1HB   ARG  11           HB2      ARG  11  -7.078 -12.920   1.891
   68   2HB   ARG  11           HB1      ARG  11  -6.001 -13.353   3.219
   69   1HG   ARG  11           HG2      ARG  11  -5.527 -11.139   3.741
   70   2HG   ARG  11           HG1      ARG  11  -5.865 -10.574   2.104
   71   1HD   ARG  11           HD2      ARG  11  -7.818  -9.854   3.049
   72   2HD   ARG  11           HD1      ARG  11  -8.311 -11.527   2.787
   73    HE   ARG  11           HE       ARG  11  -6.977 -11.245   5.331
   74   1HH1  ARG  11          HH21      ARG  11  -9.058  -9.002   5.197
   75   2HH1  ARG  11          HH22      ARG  11 -10.428  -9.784   5.912
   76   1HH2  ARG  11          HH11      ARG  11  -9.116 -12.976   5.584
   77   2HH2  ARG  11          HH12      ARG  11 -10.461 -12.031   6.130
   78    H    ALA  12           HN       ALA  12  -5.962 -14.373  -0.405
   79    HA   ALA  12           HA       ALA  12  -5.631 -16.939   0.633
   80   1HB   ALA  12           HB1      ALA  12  -5.705 -15.820  -2.136
   81   2HB   ALA  12           HB3      ALA  12  -5.201 -17.500  -1.942
   82   3HB   ALA  12           HB2      ALA  12  -6.786 -16.983  -1.367
   83    H    PHE  13           HN       PHE  13  -3.281 -15.216  -1.457
   84    HA   PHE  13           HA       PHE  13  -1.240 -17.250  -0.861
   85   1HB   PHE  13           HB2      PHE  13  -1.282 -16.320  -3.110
   86   2HB   PHE  13           HB1      PHE  13  -1.144 -14.681  -2.470
   87    HD1  PHE  13           HD1      PHE  13   0.617 -17.992  -2.387
   88    HD2  PHE  13           HD2      PHE  13   0.972 -13.714  -2.242
   89    HE1  PHE  13           HE1      PHE  13   3.089 -18.197  -2.386
   90    HE2  PHE  13           HE2      PHE  13   3.442 -13.918  -2.242
   91    HZ   PHE  13           HZ       PHE  13   4.502 -16.160  -2.314
   92    H    LEU  14           HN       LEU  14  -1.952 -13.883  -0.028
   93    HA   LEU  14           HA       LEU  14   0.515 -13.525   1.474
   94   1HB   LEU  14           HB2      LEU  14  -1.977 -11.948   1.007
   95   2HB   LEU  14           HB1      LEU  14  -1.018 -11.556   2.435
   96    HG   LEU  14           HG       LEU  14  -0.383 -10.246   0.373
   97   1HD1  LEU  14          HD13      LEU  14   1.238 -11.515   2.307
   98   2HD1  LEU  14          HD12      LEU  14   2.090 -11.687   0.773
   99   3HD1  LEU  14          HD11      LEU  14   1.636 -10.085   1.354
  100   1HD2  LEU  14          HD23      LEU  14  -0.758 -12.182  -1.195
  101   2HD2  LEU  14          HD22      LEU  14   0.801 -11.387  -1.410
  102   3HD2  LEU  14          HD21      LEU  14   0.705 -12.924  -0.549
  103    H    SER  15           HN       SER  15   0.340 -15.491   2.817
  104    HA   SER  15           HA       SER  15  -1.650 -16.281   4.543
  105   1HB   SER  15           HB2      SER  15   1.216 -16.523   4.476
  106   2HB   SER  15           HB1      SER  15   0.699 -16.260   6.139
  107    HG   SER  15           HG       SER  15  -0.770 -18.039   4.567
  108    H    GLU  16           HN       GLU  16  -1.995 -15.815   6.890
  109    HA   GLU  16           HA       GLU  16  -2.423 -13.006   7.334
  110   1HB   GLU  16           HB2      GLU  16  -2.841 -15.520   8.836
  111   2HB   GLU  16           HB1      GLU  16  -2.585 -14.091   9.838
  112   1HG   GLU  16           HG2      GLU  16  -4.402 -12.922   8.753
  113   2HG   GLU  16           HG1      GLU  16  -4.580 -14.211   7.561
  114    H    GLU  17           HN       GLU  17   0.321 -15.018   7.748
  115    HA   GLU  17           HA       GLU  17   1.550 -13.536   9.924
  116   1HB   GLU  17           HB2      GLU  17   2.816 -15.328   7.828
  117   2HB   GLU  17           HB1      GLU  17   3.583 -14.786   9.322
  118   1HG   GLU  17           HG2      GLU  17   1.575 -15.850  10.534
  119   2HG   GLU  17           HG1      GLU  17   1.232 -16.653   9.001
  120    H    MET  18           HN       MET  18   1.650 -13.363   6.387
  121    HA   MET  18           HA       MET  18   3.808 -11.468   6.234
  122   1HB   MET  18           HB2      MET  18   1.580 -12.273   4.369
  123   2HB   MET  18           HB1      MET  18   2.653 -10.933   3.962
  124   1HG   MET  18           HG2      MET  18   4.560 -12.317   3.903
  125   2HG   MET  18           HG1      MET  18   3.769 -13.597   4.823
  126   1HE   MET  18           HE3      MET  18   5.454 -14.033   2.699
  127   2HE   MET  18           HE2      MET  18   4.735 -14.948   1.377
  128   3HE   MET  18           HE1      MET  18   5.045 -13.225   1.180
  129    H    ILE  19           HN       ILE  19   0.291 -10.911   5.776
  130    HA   ILE  19           HA       ILE  19   0.434  -8.082   5.858
  131    HB   ILE  19           HB       ILE  19  -1.880  -9.712   6.928
  132   1HG1  ILE  19          HG12      ILE  19  -2.035  -8.973   4.113
  133   2HG1  ILE  19          HG11      ILE  19  -0.662 -10.036   4.425
  134   1HG2  ILE  19          HG22      ILE  19  -1.460  -6.962   6.584
  135   2HG2  ILE  19          HG21      ILE  19  -2.452  -7.441   5.206
  136   3HG2  ILE  19          HG23      ILE  19  -3.010  -7.762   6.848
  137   1HD1  ILE  19          HD12      ILE  19  -2.296 -11.499   5.756
  138   2HD1  ILE  19          HD11      ILE  19  -3.581 -10.547   5.013
  139   3HD1  ILE  19          HD13      ILE  19  -2.492 -11.497   4.003
  140    H    ALA  20           HN       ALA  20  -0.095 -10.417   8.496
  141    HA   ALA  20           HA       ALA  20  -0.544  -8.655  10.620
  142   1HB   ALA  20           HB3      ALA  20   1.129 -11.184  10.610
  143   2HB   ALA  20           HB2      ALA  20   0.521 -10.386  12.060
  144   3HB   ALA  20           HB1      ALA  20  -0.608 -11.086  10.898
  145    H    GLU  21           HN       GLU  21   2.614  -9.721   9.326
  146    HA   GLU  21           HA       GLU  21   4.189  -8.162  11.140
  147   1HB   GLU  21           HB2      GLU  21   4.750 -10.041   9.242
  148   2HB   GLU  21           HB1      GLU  21   5.286  -8.572   8.426
  149   1HG   GLU  21           HG2      GLU  21   6.834  -8.047  10.136
  150   2HG   GLU  21           HG1      GLU  21   6.074  -9.154  11.281
  151    H    PHE  22           HN       PHE  22   2.620  -7.390   8.077
  152    HA   PHE  22           HA       PHE  22   4.015  -4.855   7.760
  153   1HB   PHE  22           HB2      PHE  22   3.000  -6.105   5.845
  154   2HB   PHE  22           HB1      PHE  22   1.403  -5.756   6.508
  155    HD1  PHE  22           HD2      PHE  22   4.360  -3.492   6.552
  156    HD2  PHE  22           HD1      PHE  22   0.516  -4.322   4.821
  157    HE1  PHE  22           HE2      PHE  22   4.377  -1.272   5.448
  158    HE2  PHE  22           HE1      PHE  22   0.535  -2.102   3.716
  159    HZ   PHE  22           HZ       PHE  22   2.466  -0.578   4.029
  160    H    LYS  23           HN       LYS  23   1.299  -5.953   9.593
  161    HA   LYS  23           HA       LYS  23  -0.136  -3.476   9.791
  162   1HB   LYS  23           HB2      LYS  23  -0.107  -6.067  11.192
  163   2HB   LYS  23           HB1      LYS  23  -0.560  -4.705  12.218
  164   1HG   LYS  23           HG2      LYS  23  -2.082  -4.050  10.167
  165   2HG   LYS  23           HG1      LYS  23  -1.923  -5.760   9.763
  166   1HD   LYS  23           HD2      LYS  23  -2.461  -5.475  12.583
  167   2HD   LYS  23           HD1      LYS  23  -3.683  -4.607  11.652
  168   1HE   LYS  23           HE2      LYS  23  -2.945  -7.284  10.614
  169   2HE   LYS  23           HE1      LYS  23  -3.807  -7.272  12.153
  170   1HZ   LYS  23           HZ1      LYS  23  -4.780  -5.593   9.948
  171   2HZ   LYS  23           HZ3      LYS  23  -5.114  -7.256   9.925
  172   3HZ   LYS  23           HZ2      LYS  23  -5.645  -6.301  11.227
  173    H    ALA  24           HN       ALA  24   2.879  -4.520  11.080
  174    HA   ALA  24           HA       ALA  24   2.848  -2.531  13.264
  175   1HB   ALA  24           HB3      ALA  24   4.360  -4.911  12.631
  176   2HB   ALA  24           HB2      ALA  24   5.457  -3.560  12.915
  177   3HB   ALA  24           HB1      ALA  24   4.287  -4.021  14.151
  178    H    ALA  25           HN       ALA  25   4.124  -2.945  10.021
  179    HA   ALA  25           HA       ALA  25   5.830  -0.555  10.235
  180   1HB   ALA  25           HB1      ALA  25   5.393  -2.722   8.270
  181   2HB   ALA  25           HB3      ALA  25   5.744  -1.142   7.568
  182   3HB   ALA  25           HB2      ALA  25   6.879  -1.877   8.701
  183    H    PHE  26           HN       PHE  26   2.567  -1.235   9.591
  184    HA   PHE  26           HA       PHE  26   2.179   1.100   7.822
  185   1HB   PHE  26           HB2      PHE  26   0.884  -1.241   7.878
  186   2HB   PHE  26           HB1      PHE  26  -0.124  -0.367   9.032
  187    HD1  PHE  26           HD1      PHE  26   1.670   0.595   5.875
  188    HD2  PHE  26           HD2      PHE  26  -2.048   0.469   8.022
  189    HE1  PHE  26           HE1      PHE  26   0.550   1.775   4.005
  190    HE2  PHE  26           HE2      PHE  26  -3.169   1.649   6.152
  191    HZ   PHE  26           HZ       PHE  26  -1.870   2.303   4.143
  192    H    ASP  27           HN       ASP  27   1.329   0.063  11.127
  193    HA   ASP  27           HA       ASP  27  -0.056   2.517  11.780
  194   1HB   ASP  27           HB2      ASP  27   0.577   0.022  13.083
  195   2HB   ASP  27           HB1      ASP  27   0.964   1.367  14.158
  196    H    MET  28           HN       MET  28   3.206   1.863  11.269
  197    HA   MET  28           HA       MET  28   4.473   3.399  13.310
  198   1HB   MET  28           HB2      MET  28   5.222   2.155  10.821
  199   2HB   MET  28           HB1      MET  28   5.926   3.771  10.906
  200   1HG   MET  28           HG2      MET  28   7.153   3.285  12.826
  201   2HG   MET  28           HG1      MET  28   6.065   1.985  13.314
  202   1HE   MET  28           HE1      MET  28   8.056   1.117  14.012
  203   2HE   MET  28           HE3      MET  28   8.000  -0.487  13.269
  204   3HE   MET  28           HE2      MET  28   9.426   0.529  13.075
  205    H    PHE  29           HN       PHE  29   2.811   4.339  10.360
  206    HA   PHE  29           HA       PHE  29   3.750   7.115  10.529
  207   1HB   PHE  29           HB2      PHE  29   1.422   6.183   8.857
  208   2HB   PHE  29           HB1      PHE  29   2.578   7.473   8.521
  209    HD1  PHE  29           HD1      PHE  29   5.135   6.636   8.478
  210    HD2  PHE  29           HD2      PHE  29   1.697   4.180   7.705
  211    HE1  PHE  29           HE1      PHE  29   6.558   5.037   7.224
  212    HE2  PHE  29           HE2      PHE  29   3.120   2.582   6.452
  213    HZ   PHE  29           HZ       PHE  29   5.551   3.010   6.211
  214    H    ASP  30           HN       ASP  30   0.765   5.314  11.237
  215    HA   ASP  30           HA       ASP  30  -0.260   7.778  12.594
  216   1HB   ASP  30           HB2      ASP  30  -2.527   6.536  12.313
  217   2HB   ASP  30           HB1      ASP  30  -1.819   7.304  10.890
  218    H    ALA  31           HN       ALA  31   0.429   7.426  14.701
  219    HA   ALA  31           HA       ALA  31   0.137   4.751  15.905
  220   1HB   ALA  31           HB1      ALA  31   1.517   7.275  16.586
  221   2HB   ALA  31           HB3      ALA  31   0.867   6.389  17.965
  222   3HB   ALA  31           HB2      ALA  31   2.013   5.608  16.876
  223    H    ASP  32           HN       ASP  32  -1.969   7.208  15.294
  224    HA   ASP  32           HA       ASP  32  -3.365   7.064  17.906
  225   1HB   ASP  32           HB2      ASP  32  -4.720   8.864  17.125
  226   2HB   ASP  32           HB1      ASP  32  -3.090   9.233  16.561
  227    H    GLY  33           HN       GLY  33  -3.744   6.055  14.538
  228   1HA   GLY  33           HA2      GLY  33  -4.963   3.777  14.466
  229   2HA   GLY  33           HA1      GLY  33  -6.254   4.633  15.312
  230    H    GLY  34           HN       GLY  34  -4.252   4.973  12.363
  231   1HA   GLY  34           HA2      GLY  34  -6.710   5.995  10.994
  232   2HA   GLY  34           HA1      GLY  34  -5.095   6.597  10.620
  233    H    GLY  35           HN       GLY  35  -3.810   3.987  10.749
  234   1HA   GLY  35           HA2      GLY  35  -3.242   2.304   9.211
  235   2HA   GLY  35           HA1      GLY  35  -4.977   1.991   9.157
  236    H    ASP  36           HN       ASP  36  -2.972   4.739   8.039
  237    HA   ASP  36           HA       ASP  36  -3.440   4.144   5.245
  238   1HB   ASP  36           HB2      ASP  36  -4.979   5.902   4.696
  239   2HB   ASP  36           HB1      ASP  36  -5.697   5.011   6.037
  240    H    ILE  37           HN       ILE  37  -2.688   6.100   3.878
  241    HA   ILE  37           HA       ILE  37  -0.951   8.001   5.303
  242    HB   ILE  37           HB       ILE  37   1.045   7.282   3.907
  243   1HG1  ILE  37          HG12      ILE  37  -0.681   4.813   3.530
  244   2HG1  ILE  37          HG11      ILE  37  -0.244   5.953   2.258
  245   1HG2  ILE  37          HG22      ILE  37   0.709   6.708   6.338
  246   2HG2  ILE  37          HG21      ILE  37   0.002   5.177   5.824
  247   3HG2  ILE  37          HG23      ILE  37   1.690   5.536   5.457
  248   1HD1  ILE  37          HD11      ILE  37   1.920   4.673   3.903
  249   2HD1  ILE  37          HD13      ILE  37   1.182   3.769   2.581
  250   3HD1  ILE  37          HD12      ILE  37   1.996   5.300   2.256
  251    H    SER  38           HN       SER  38  -0.126   9.669   3.829
  252    HA   SER  38           HA       SER  38  -1.956  10.067   1.544
  253   1HB   SER  38           HB2      SER  38  -1.405  12.328   1.671
  254   2HB   SER  38           HB1      SER  38  -1.199  11.836   3.350
  255    HG   SER  38           HG       SER  38   0.688  12.776   2.931
  256    H    THR  39           HN       THR  39  -0.015  11.755   0.100
  257    HA   THR  39           HA       THR  39   1.304   9.589  -1.393
  258    HB   THR  39           HB       THR  39   1.582  11.140  -3.121
  259    HG1  THR  39           HG1      THR  39   1.118  13.470  -1.799
  260   1HG2  THR  39          HG21      THR  39  -0.881  11.069  -1.809
  261   2HG2  THR  39          HG23      THR  39  -0.601  12.782  -2.119
  262   3HG2  THR  39          HG22      THR  39  -0.590  11.631  -3.455
  263    H    LYS  40           HN       LYS  40   2.302  12.578   0.299
  264    HA   LYS  40           HA       LYS  40   5.081  12.346  -0.047
  265   1HB   LYS  40           HB2      LYS  40   3.651  14.169   1.181
  266   2HB   LYS  40           HB1      LYS  40   3.944  13.179   2.612
  267   1HG   LYS  40           HG2      LYS  40   6.259  13.885   0.842
  268   2HG   LYS  40           HG1      LYS  40   5.638  15.101   1.960
  269   1HD   LYS  40           HD2      LYS  40   6.050  12.372   3.068
  270   2HD   LYS  40           HD1      LYS  40   7.505  13.292   2.679
  271   1HE   LYS  40           HE2      LYS  40   5.382  14.786   4.113
  272   2HE   LYS  40           HE1      LYS  40   6.190  13.522   5.041
  273   1HZ   LYS  40           HZ3      LYS  40   7.999  15.123   3.491
  274   2HZ   LYS  40           HZ2      LYS  40   7.134  16.032   4.636
  275   3HZ   LYS  40           HZ1      LYS  40   8.063  14.699   5.133
  276    H    GLU  41           HN       GLU  41   2.928  10.511   2.021
  277    HA   GLU  41           HA       GLU  41   5.151   9.293   3.513
  278   1HB   GLU  41           HB2      GLU  41   2.164   8.791   3.473
  279   2HB   GLU  41           HB1      GLU  41   3.287   7.853   4.459
  280   1HG   GLU  41           HG2      GLU  41   4.028   9.883   5.605
  281   2HG   GLU  41           HG1      GLU  41   2.982  10.867   4.581
  282    H    LEU  42           HN       LEU  42   2.991   8.480   0.838
  283    HA   LEU  42           HA       LEU  42   3.808   5.711   0.655
  284   1HB   LEU  42           HB2      LEU  42   1.719   6.424  -0.370
  285   2HB   LEU  42           HB1      LEU  42   2.574   7.582  -1.389
  286    HG   LEU  42           HG       LEU  42   3.675   4.889  -1.629
  287   1HD1  LEU  42          HD11      LEU  42   0.772   5.210  -1.622
  288   2HD1  LEU  42          HD13      LEU  42   1.368   4.598  -3.165
  289   3HD1  LEU  42          HD12      LEU  42   1.735   3.732  -1.672
  290   1HD2  LEU  42          HD23      LEU  42   3.985   6.939  -3.127
  291   2HD2  LEU  42          HD22      LEU  42   3.613   5.430  -3.961
  292   3HD2  LEU  42          HD21      LEU  42   2.350   6.637  -3.716
  293    H    GLY  43           HN       GLY  43   5.355   8.649  -0.088
  294   1HA   GLY  43           HA2      GLY  43   7.199   7.281  -2.000
  295   2HA   GLY  43           HA1      GLY  43   6.985   9.030  -1.903
  296    H    THR  44           HN       THR  44   6.965   8.863   1.110
  297    HA   THR  44           HA       THR  44   9.878   9.044   1.436
  298    HB   THR  44           HB       THR  44   8.172  10.634   2.495
  299    HG1  THR  44           HG1      THR  44   9.772   9.430   4.458
  300   1HG2  THR  44          HG22      THR  44   6.937   8.382   3.336
  301   2HG2  THR  44          HG21      THR  44   7.926   8.727   4.756
  302   3HG2  THR  44          HG23      THR  44   6.779   9.930   4.167
  303    H    VAL  45           HN       VAL  45   7.332   6.774   2.108
  304    HA   VAL  45           HA       VAL  45   8.579   5.269   4.189
  305    HB   VAL  45           HB       VAL  45   6.230   4.929   3.571
  306   1HG1  VAL  45          HG13      VAL  45   6.664   5.308   1.097
  307   2HG1  VAL  45          HG12      VAL  45   7.262   3.651   1.027
  308   3HG1  VAL  45          HG11      VAL  45   5.583   3.964   1.465
  309   1HG2  VAL  45          HG22      VAL  45   8.192   2.845   3.880
  310   2HG2  VAL  45          HG21      VAL  45   6.516   2.866   4.431
  311   3HG2  VAL  45          HG23      VAL  45   6.906   2.273   2.817
  312    H    MET  46           HN       MET  46   8.676   4.865   0.637
  313    HA   MET  46           HA       MET  46  10.778   2.810   0.907
  314   1HB   MET  46           HB2      MET  46  10.550   2.520  -1.473
  315   2HB   MET  46           HB1      MET  46   8.920   2.688  -0.821
  316   1HG   MET  46           HG2      MET  46   8.978   5.114  -1.391
  317   2HG   MET  46           HG1      MET  46  10.560   4.874  -2.135
  318   1HE   MET  46           HE2      MET  46   7.008   4.382  -1.943
  319   2HE   MET  46           HE1      MET  46   6.420   3.932  -3.542
  320   3HE   MET  46           HE3      MET  46   6.987   2.686  -2.420
  321    H    ARG  47           HN       ARG  47  10.409   6.175  -0.087
  322    HA   ARG  47           HA       ARG  47  13.264   6.345  -0.840
  323   1HB   ARG  47           HB2      ARG  47  11.291   7.569  -2.017
  324   2HB   ARG  47           HB1      ARG  47  11.362   8.679  -0.647
  325   1HG   ARG  47           HG2      ARG  47  12.946   9.767  -1.852
  326   2HG   ARG  47           HG1      ARG  47  14.017   8.459  -1.347
  327   1HD   ARG  47           HD2      ARG  47  13.976   8.882  -3.844
  328   2HD   ARG  47           HD1      ARG  47  13.594   7.226  -3.371
  329    HE   ARG  47           HE       ARG  47  11.263   8.989  -3.695
  330   1HH1  ARG  47          HH11      ARG  47  13.498   7.838  -5.873
  331   2HH1  ARG  47          HH12      ARG  47  12.398   6.847  -6.772
  332   1HH2  ARG  47          HH21      ARG  47   9.797   7.219  -4.509
  333   2HH2  ARG  47          HH22      ARG  47  10.303   6.498  -6.000
  334    H    MET  48           HN       MET  48  12.132   5.892   1.991
  335    HA   MET  48           HA       MET  48  12.510   8.156   3.619
  336   1HB   MET  48           HB2      MET  48  11.706   5.858   4.344
  337   2HB   MET  48           HB1      MET  48  13.397   5.357   4.359
  338   1HG   MET  48           HG2      MET  48  13.934   7.076   6.003
  339   2HG   MET  48           HG1      MET  48  12.286   7.698   5.930
  340   1HE   MET  48           HE1      MET  48  10.549   7.097   6.708
  341   2HE   MET  48           HE3      MET  48   9.999   5.460   7.091
  342   3HE   MET  48           HE2      MET  48  10.566   6.525   8.375
  343    H    LEU  49           HN       LEU  49  14.972   5.658   2.882
  344    HA   LEU  49           HA       LEU  49  17.063   7.545   3.767
  345   1HB   LEU  49           HB2      LEU  49  18.619   5.586   3.231
  346   2HB   LEU  49           HB1      LEU  49  17.486   5.350   4.554
  347    HG   LEU  49           HG       LEU  49  17.797   3.465   2.766
  348   1HD1  LEU  49          HD11      LEU  49  15.642   4.295   4.426
  349   2HD1  LEU  49          HD13      LEU  49  14.952   3.670   2.928
  350   3HD1  LEU  49          HD12      LEU  49  16.037   2.663   3.886
  351   1HD2  LEU  49          HD22      LEU  49  15.874   5.334   1.343
  352   2HD2  LEU  49          HD21      LEU  49  17.465   4.837   0.774
  353   3HD2  LEU  49          HD23      LEU  49  16.164   3.655   0.897
  354    H    GLY  50           HN       GLY  50  15.567   8.192   1.376
  355   1HA   GLY  50           HA2      GLY  50  17.755   7.984  -0.656
  356   2HA   GLY  50           HA1      GLY  50  16.045   8.054  -1.087
  357    H    GLN  51           HN       GLN  51  15.103  10.051  -1.349
  358    HA   GLN  51           HA       GLN  51  16.534  12.452  -0.298
  359   1HB   GLN  51           HB2      GLN  51  15.367  12.880  -2.942
  360   2HB   GLN  51           HB1      GLN  51  16.965  13.322  -2.352
  361   1HG   GLN  51           HG2      GLN  51  17.300  10.647  -2.584
  362   2HG   GLN  51           HG1      GLN  51  16.091  10.905  -3.842
  363   1HE2  GLN  51          HE22      GLN  51  19.811  11.685  -4.819
  364   2HE2  GLN  51          HE21      GLN  51  19.285  10.550  -3.672
  365    H    ASN  52           HN       ASN  52  15.012  14.328  -0.105
  366    HA   ASN  52           HA       ASN  52  12.331  13.436   0.465
  367   1HB   ASN  52           HB2      ASN  52  13.505  16.195   0.004
  368   2HB   ASN  52           HB1      ASN  52  11.806  15.938   0.402
  369   1HD2  ASN  52          HD22      ASN  52  12.979  16.308   3.760
  370   2HD2  ASN  52          HD21      ASN  52  12.222  17.115   2.474
  371    HA   PRO  53           HA       PRO  53  11.264  13.594  -3.861
  372   1HB   PRO  53           HB2      PRO  53   8.900  12.240  -3.577
  373   2HB   PRO  53           HB1      PRO  53  10.486  11.448  -3.543
  374   1HG   PRO  53           HG2      PRO  53   8.606  11.901  -1.309
  375   2HG   PRO  53           HG1      PRO  53   9.974  10.783  -1.415
  376   1HD   PRO  53           HD2      PRO  53   9.885  13.372  -0.107
  377   2HD   PRO  53           HD1      PRO  53  11.224  12.202  -0.162
  378    H    THR  54           HN       THR  54   8.958  14.104  -5.001
  379    HA   THR  54           HA       THR  54   8.083  16.688  -3.833
  380    HB   THR  54           HB       THR  54   7.304  15.541  -6.521
  381    HG1  THR  54           HG1      THR  54   9.732  16.146  -5.721
  382   1HG2  THR  54          HG21      THR  54   6.867  18.026  -5.066
  383   2HG2  THR  54          HG23      THR  54   7.607  18.306  -6.643
  384   3HG2  THR  54          HG22      THR  54   6.080  17.431  -6.527
  385    H    LYS  55           HN       LYS  55   5.773  17.174  -3.694
  386    HA   LYS  55           HA       LYS  55   4.239  14.979  -2.596
  387   1HB   LYS  55           HB2      LYS  55   4.042  17.425  -1.931
  388   2HB   LYS  55           HB1      LYS  55   3.183  17.686  -3.450
  389   1HG   LYS  55           HG2      LYS  55   2.110  15.381  -2.061
  390   2HG   LYS  55           HG1      LYS  55   2.074  16.804  -1.018
  391   1HD   LYS  55           HD2      LYS  55   1.114  18.030  -3.101
  392   2HD   LYS  55           HD1      LYS  55   0.773  16.409  -3.706
  393   1HE   LYS  55           HE2      LYS  55  -0.034  16.914  -0.901
  394   2HE   LYS  55           HE1      LYS  55  -0.941  17.805  -2.124
  395   1HZ   LYS  55           HZ3      LYS  55  -1.180  15.610  -3.299
  396   2HZ   LYS  55           HZ2      LYS  55  -0.599  14.873  -1.883
  397   3HZ   LYS  55           HZ1      LYS  55  -2.044  15.766  -1.849
  398    H    GLU  56           HN       GLU  56   4.567  16.383  -5.756
  399    HA   GLU  56           HA       GLU  56   2.071  15.136  -6.725
  400   1HB   GLU  56           HB2      GLU  56   4.056  16.295  -8.626
  401   2HB   GLU  56           HB1      GLU  56   2.299  16.448  -8.604
  402   1HG   GLU  56           HG2      GLU  56   2.721  17.812  -6.401
  403   2HG   GLU  56           HG1      GLU  56   4.351  17.995  -7.048
  404    H    GLU  57           HN       GLU  57   5.501  14.533  -6.642
  405    HA   GLU  57           HA       GLU  57   5.730  12.687  -8.786
  406   1HB   GLU  57           HB2      GLU  57   7.662  13.602  -7.526
  407   2HB   GLU  57           HB1      GLU  57   7.184  12.643  -6.125
  408   1HG   GLU  57           HG2      GLU  57   7.281  10.622  -7.763
  409   2HG   GLU  57           HG1      GLU  57   8.241  11.696  -8.781
  410    H    LEU  58           HN       LEU  58   4.448  12.311  -5.530
  411    HA   LEU  58           HA       LEU  58   4.218   9.383  -5.864
  412   1HB   LEU  58           HB2      LEU  58   3.377  11.236  -3.616
  413   2HB   LEU  58           HB1      LEU  58   3.221   9.479  -3.576
  414    HG   LEU  58           HG       LEU  58   5.271   9.952  -2.456
  415   1HD1  LEU  58          HD12      LEU  58   5.358   8.165  -4.236
  416   2HD1  LEU  58          HD11      LEU  58   6.054   9.366  -5.325
  417   3HD1  LEU  58          HD13      LEU  58   6.923   8.889  -3.866
  418   1HD2  LEU  58          HD23      LEU  58   5.315  12.328  -3.502
  419   2HD2  LEU  58          HD22      LEU  58   6.859  11.553  -3.150
  420   3HD2  LEU  58          HD21      LEU  58   6.243  11.580  -4.802
  421    H    ASP  59           HN       ASP  59   2.396  12.169  -6.577
  422    HA   ASP  59           HA       ASP  59  -0.258  11.139  -6.155
  423   1HB   ASP  59           HB2      ASP  59   0.582  13.577  -6.711
  424   2HB   ASP  59           HB1      ASP  59   0.368  13.054  -8.382
  425    H    ALA  60           HN       ALA  60   2.116  10.739  -8.700
  426    HA   ALA  60           HA       ALA  60   0.340   9.750 -10.728
  427   1HB   ALA  60           HB2      ALA  60   3.262   9.780 -10.241
  428   2HB   ALA  60           HB1      ALA  60   2.683   8.466 -11.265
  429   3HB   ALA  60           HB3      ALA  60   2.362  10.141 -11.715
  430    H    ILE  61           HN       ILE  61   2.474   7.971  -8.457
  431    HA   ILE  61           HA       ILE  61   1.320   5.405  -9.126
  432    HB   ILE  61           HB       ILE  61   2.503   5.833  -6.419
  433   1HG1  ILE  61          HG12      ILE  61   4.744   5.540  -7.993
  434   2HG1  ILE  61          HG11      ILE  61   3.777   6.685  -8.927
  435   1HG2  ILE  61          HG21      ILE  61   1.839   3.616  -7.602
  436   2HG2  ILE  61          HG23      ILE  61   3.323   3.849  -8.526
  437   3HG2  ILE  61          HG22      ILE  61   3.393   3.692  -6.771
  438   1HD1  ILE  61          HD11      ILE  61   3.598   7.391  -6.159
  439   2HD1  ILE  61          HD13      ILE  61   5.300   7.200  -6.579
  440   3HD1  ILE  61          HD12      ILE  61   4.289   8.327  -7.484
  441    H    ILE  62           HN       ILE  62   0.418   8.009  -7.033
  442    HA   ILE  62           HA       ILE  62  -1.416   6.351  -5.453
  443    HB   ILE  62           HB       ILE  62  -0.543   9.213  -5.433
  444   1HG1  ILE  62          HG12      ILE  62   0.437   7.319  -4.042
  445   2HG1  ILE  62          HG11      ILE  62  -0.104   8.728  -3.126
  446   1HG2  ILE  62          HG23      ILE  62  -3.135   8.205  -4.214
  447   2HG2  ILE  62          HG22      ILE  62  -2.363   9.731  -3.784
  448   3HG2  ILE  62          HG21      ILE  62  -2.965   9.480  -5.422
  449   1HD1  ILE  62          HD12      ILE  62  -2.301   6.889  -3.494
  450   2HD1  ILE  62          HD11      ILE  62  -0.928   6.050  -2.773
  451   3HD1  ILE  62          HD13      ILE  62  -1.596   7.483  -1.992
  452    H    GLU  63           HN       GLU  63  -1.473   7.788  -8.495
  453    HA   GLU  63           HA       GLU  63  -4.326   8.507  -8.459
  454   1HB   GLU  63           HB2      GLU  63  -2.800   9.802  -9.875
  455   2HB   GLU  63           HB1      GLU  63  -2.327   8.337 -10.736
  456   1HG   GLU  63           HG2      GLU  63  -4.716   8.029 -11.421
  457   2HG   GLU  63           HG1      GLU  63  -5.088   9.585 -10.677
  458    H    GLU  64           HN       GLU  64  -2.338   5.760  -9.253
  459    HA   GLU  64           HA       GLU  64  -4.479   4.434 -10.777
  460   1HB   GLU  64           HB2      GLU  64  -2.867   2.507 -10.799
  461   2HB   GLU  64           HB1      GLU  64  -2.192   3.997 -11.461
  462   1HG   GLU  64           HG2      GLU  64  -0.794   4.336  -9.647
  463   2HG   GLU  64           HG1      GLU  64  -1.855   3.472  -8.535
  464    H    VAL  65           HN       VAL  65  -3.580   4.763  -7.485
  465    HA   VAL  65           HA       VAL  65  -5.091   2.285  -6.780
  466    HB   VAL  65           HB       VAL  65  -4.095   2.947  -4.421
  467   1HG1  VAL  65          HG11      VAL  65  -3.232   1.307  -6.619
  468   2HG1  VAL  65          HG13      VAL  65  -1.815   1.948  -5.788
  469   3HG1  VAL  65          HG12      VAL  65  -3.023   1.028  -4.891
  470   1HG2  VAL  65          HG21      VAL  65  -3.208   5.126  -5.284
  471   2HG2  VAL  65          HG23      VAL  65  -1.952   4.097  -4.594
  472   3HG2  VAL  65          HG22      VAL  65  -2.127   4.223  -6.345
  473    H    ASP  66           HN       ASP  66  -4.851   5.770  -6.072
  474    HA   ASP  66           HA       ASP  66  -7.280   5.643  -4.416
  475   1HB   ASP  66           HB2      ASP  66  -6.831   7.860  -3.817
  476   2HB   ASP  66           HB1      ASP  66  -5.217   7.207  -4.082
  477    H    GLU  67           HN       GLU  67  -7.625   4.820  -7.160
  478    HA   GLU  67           HA       GLU  67  -8.596   6.788  -8.915
  479   1HB   GLU  67           HB2      GLU  67 -10.136   4.949  -9.758
  480   2HB   GLU  67           HB1      GLU  67  -8.427   4.519  -9.688
  481   1HG   GLU  67           HG2      GLU  67  -8.744   3.000  -8.018
  482   2HG   GLU  67           HG1      GLU  67  -9.956   3.994  -7.210
  483    H    ASP  68           HN       ASP  68  -9.908   5.718  -5.901
  484    HA   ASP  68           HA       ASP  68 -12.659   6.420  -6.363
  485   1HB   ASP  68           HB2      ASP  68 -12.634   6.670  -3.783
  486   2HB   ASP  68           HB1      ASP  68 -12.276   5.080  -4.457
  487    H    GLY  69           HN       GLY  69  -9.890   8.234  -5.039
  488   1HA   GLY  69           HA2      GLY  69  -9.806  10.649  -5.778
  489   2HA   GLY  69           HA1      GLY  69 -11.522  10.721  -5.374
  490    H    SER  70           HN       SER  70  -8.348  10.027  -3.887
  491    HA   SER  70           HA       SER  70  -9.163  11.611  -1.537
  492   1HB   SER  70           HB2      SER  70  -9.775   9.044  -1.314
  493   2HB   SER  70           HB1      SER  70  -8.056   8.884  -0.970
  494    HG   SER  70           HG       SER  70  -9.941   9.619   0.681
  495    H    GLY  71           HN       GLY  71  -6.655   9.440  -2.869
  496   1HA   GLY  71           HA2      GLY  71  -4.396  10.120  -3.335
  497   2HA   GLY  71           HA1      GLY  71  -4.645  11.546  -2.327
  498    H    THR  72           HN       THR  72  -5.544   8.311  -1.286
  499    HA   THR  72           HA       THR  72  -3.119   8.125   0.406
  500    HB   THR  72           HB       THR  72  -4.146   8.701   2.329
  501    HG1  THR  72           HG1      THR  72  -6.151   6.842   1.579
  502   1HG2  THR  72          HG23      THR  72  -6.635   9.033   0.632
  503   2HG2  THR  72          HG22      THR  72  -6.446   9.635   2.279
  504   3HG2  THR  72          HG21      THR  72  -5.440  10.282   0.983
  505    H    ILE  73           HN       ILE  73  -3.339   5.943   1.740
  506    HA   ILE  73           HA       ILE  73  -4.815   3.906   0.156
  507    HB   ILE  73           HB       ILE  73  -2.592   2.507   0.426
  508   1HG1  ILE  73          HG12      ILE  73  -1.328   5.199   0.034
  509   2HG1  ILE  73          HG11      ILE  73  -1.663   4.658   1.678
  510   1HG2  ILE  73          HG23      ILE  73  -3.688   3.187  -1.711
  511   2HG2  ILE  73          HG22      ILE  73  -2.823   4.721  -1.635
  512   3HG2  ILE  73          HG21      ILE  73  -1.927   3.213  -1.817
  513   1HD1  ILE  73          HD13      ILE  73  -0.233   2.877  -0.294
  514   2HD1  ILE  73          HD12      ILE  73   0.643   4.057   0.682
  515   3HD1  ILE  73          HD11      ILE  73  -0.264   2.763   1.466
  516    H    ASP  74           HN       ASP  74  -5.018   1.847   1.339
  517    HA   ASP  74           HA       ASP  74  -4.222   1.856   4.179
  518   1HB   ASP  74           HB2      ASP  74  -6.545   1.481   4.962
  519   2HB   ASP  74           HB1      ASP  74  -6.360   3.071   4.217
  520    H    PHE  75           HN       PHE  75  -5.754  -0.271   5.057
  521    HA   PHE  75           HA       PHE  75  -4.448  -2.502   3.789
  522   1HB   PHE  75           HB2      PHE  75  -6.342  -2.092   6.027
  523   2HB   PHE  75           HB1      PHE  75  -6.419  -3.673   5.250
  524    HD1  PHE  75           HD2      PHE  75  -3.580  -1.311   5.913
  525    HD2  PHE  75           HD1      PHE  75  -5.239  -5.225   6.534
  526    HE1  PHE  75           HE2      PHE  75  -1.518  -1.997   7.104
  527    HE2  PHE  75           HE1      PHE  75  -3.175  -5.912   7.723
  528    HZ   PHE  75           HZ       PHE  75  -1.313  -4.298   8.009
  529    H    GLU  76           HN       GLU  76  -7.123  -0.731   2.803
  530    HA   GLU  76           HA       GLU  76  -8.606  -3.016   1.684
  531   1HB   GLU  76           HB2      GLU  76  -9.519  -0.669   2.525
  532   2HB   GLU  76           HB1      GLU  76  -9.149  -0.186   0.869
  533   1HG   GLU  76           HG2      GLU  76 -10.565  -2.771   1.142
  534   2HG   GLU  76           HG1      GLU  76 -11.498  -1.348   1.606
  535    H    GLU  77           HN       GLU  77  -7.121  -0.081   0.244
  536    HA   GLU  77           HA       GLU  77  -6.922  -1.484  -2.340
  537   1HB   GLU  77           HB2      GLU  77  -6.824   1.293  -1.401
  538   2HB   GLU  77           HB1      GLU  77  -5.604   0.935  -2.625
  539   1HG   GLU  77           HG2      GLU  77  -7.470   1.539  -3.918
  540   2HG   GLU  77           HG1      GLU  77  -7.564  -0.223  -3.898
  541    H    PHE  78           HN       PHE  78  -4.646   0.143  -0.099
  542    HA   PHE  78           HA       PHE  78  -2.230  -0.436  -1.318
  543   1HB   PHE  78           HB2      PHE  78  -2.682   0.702   0.958
  544   2HB   PHE  78           HB1      PHE  78  -2.615  -0.922   1.638
  545    HD1  PHE  78           HD2      PHE  78  -0.532  -1.108  -1.123
  546    HD2  PHE  78           HD1      PHE  78  -0.671   0.666   2.789
  547    HE1  PHE  78           HE2      PHE  78   1.942  -0.991  -1.088
  548    HE2  PHE  78           HE1      PHE  78   1.806   0.780   2.824
  549    HZ   PHE  78           HZ       PHE  78   3.112  -0.048   0.885
  550    H    LEU  79           HN       LEU  79  -4.247  -2.657   0.575
  551    HA   LEU  79           HA       LEU  79  -2.461  -4.852   0.695
  552   1HB   LEU  79           HB2      LEU  79  -5.276  -4.381   1.147
  553   2HB   LEU  79           HB1      LEU  79  -5.046  -5.920   0.317
  554    HG   LEU  79           HG       LEU  79  -3.609  -5.058   2.845
  555   1HD1  LEU  79          HD12      LEU  79  -6.115  -6.529   2.308
  556   2HD1  LEU  79          HD11      LEU  79  -5.019  -7.329   3.434
  557   3HD1  LEU  79          HD13      LEU  79  -5.591  -5.695   3.771
  558   1HD2  LEU  79          HD21      LEU  79  -2.735  -6.814   0.914
  559   2HD2  LEU  79          HD23      LEU  79  -2.281  -6.891   2.616
  560   3HD2  LEU  79          HD22      LEU  79  -3.606  -7.886   2.012
  561    H    VAL  80           HN       VAL  80  -4.907  -4.072  -1.803
  562    HA   VAL  80           HA       VAL  80  -4.183  -6.334  -3.457
  563    HB   VAL  80           HB       VAL  80  -5.646  -5.365  -5.112
  564   1HG1  VAL  80          HG13      VAL  80  -6.414  -5.286  -2.245
  565   2HG1  VAL  80          HG12      VAL  80  -7.518  -4.485  -3.364
  566   3HG1  VAL  80          HG11      VAL  80  -7.130  -6.192  -3.579
  567   1HG2  VAL  80          HG21      VAL  80  -4.600  -2.930  -4.158
  568   2HG2  VAL  80          HG23      VAL  80  -5.793  -3.137  -5.439
  569   3HG2  VAL  80          HG22      VAL  80  -6.320  -2.881  -3.775
  570    H    MET  81           HN       MET  81  -2.750  -3.271  -2.907
  571    HA   MET  81           HA       MET  81  -1.450  -3.137  -5.542
  572   1HB   MET  81           HB2      MET  81  -2.108  -1.191  -3.816
  573   2HB   MET  81           HB1      MET  81  -0.469  -1.506  -3.246
  574   1HG   MET  81           HG2      MET  81  -0.449  -1.465  -6.114
  575   2HG   MET  81           HG1      MET  81  -1.258  -0.010  -5.534
  576   1HE   MET  81           HE3      MET  81  -0.528   1.088  -3.429
  577   2HE   MET  81           HE2      MET  81   0.521   0.042  -2.476
  578   3HE   MET  81           HE1      MET  81   1.140   1.569  -3.096
  579    H    MET  82           HN       MET  82  -0.850  -4.570  -2.464
  580    HA   MET  82           HA       MET  82   2.060  -4.784  -2.942
  581   1HB   MET  82           HB2      MET  82   0.718  -4.546  -0.636
  582   2HB   MET  82           HB1      MET  82   0.707  -6.306  -0.760
  583   1HG   MET  82           HG2      MET  82   3.292  -4.926  -1.306
  584   2HG   MET  82           HG1      MET  82   2.746  -4.977   0.370
  585   1HE   MET  82           HE1      MET  82   4.471  -6.325   1.379
  586   2HE   MET  82           HE3      MET  82   5.173  -7.817   0.736
  587   3HE   MET  82           HE2      MET  82   5.407  -6.291  -0.114
  588    H    VAL  83           HN       VAL  83  -0.714  -7.014  -2.528
  589    HA   VAL  83           HA       VAL  83   0.630  -9.419  -3.100
  590    HB   VAL  83           HB       VAL  83  -2.197  -8.574  -3.789
  591   1HG1  VAL  83          HG11      VAL  83  -0.675 -11.044  -4.346
  592   2HG1  VAL  83          HG13      VAL  83  -2.236 -11.301  -3.564
  593   3HG1  VAL  83          HG12      VAL  83  -2.150 -10.437  -5.099
  594   1HG2  VAL  83          HG21      VAL  83  -0.801  -9.598  -1.395
  595   2HG2  VAL  83          HG23      VAL  83  -2.312  -8.697  -1.515
  596   3HG2  VAL  83          HG22      VAL  83  -2.301 -10.441  -1.782
  597    H    ARG  84           HN       ARG  84  -0.409  -6.861  -5.267
  598    HA   ARG  84           HA       ARG  84  -0.168  -8.357  -7.714
  599   1HB   ARG  84           HB2      ARG  84  -0.124  -6.147  -8.801
  600   2HB   ARG  84           HB1      ARG  84  -1.371  -6.197  -7.556
  601   1HG   ARG  84           HG2      ARG  84  -0.317  -4.659  -6.261
  602   2HG   ARG  84           HG1      ARG  84   1.276  -5.347  -6.578
  603   1HD   ARG  84           HD2      ARG  84   0.579  -4.317  -9.040
  604   2HD   ARG  84           HD1      ARG  84  -0.108  -3.134  -7.927
  605    HE   ARG  84           HE       ARG  84   2.763  -3.953  -7.743
  606   1HH1  ARG  84          HH21      ARG  84   3.093  -2.228  -5.893
  607   2HH1  ARG  84          HH22      ARG  84   2.874  -0.614  -6.483
  608   1HH2  ARG  84          HH11      ARG  84   1.241  -1.607  -9.375
  609   2HH2  ARG  84          HH12      ARG  84   1.827  -0.263  -8.454
  610    H    GLN  85           HN       GLN  85   1.722  -6.166  -8.847
  611    HA   GLN  85           HA       GLN  85   4.094  -7.740  -8.854
  612   1HB   GLN  85           HB2      GLN  85   3.558  -6.054 -10.592
  613   2HB   GLN  85           HB1      GLN  85   3.813  -4.771  -9.408
  614   1HG   GLN  85           HG2      GLN  85   6.068  -4.921  -9.564
  615   2HG   GLN  85           HG1      GLN  85   6.035  -6.685  -9.537
  616   1HE2  GLN  85          HE22      GLN  85   5.766  -6.966 -13.124
  617   2HE2  GLN  85          HE21      GLN  85   5.304  -7.736 -11.683
  618    H    MET  86           HN       MET  86   4.605  -8.187  -6.635
  619    HA   MET  86           HA       MET  86   5.289  -5.900  -4.892
  620   1HB   MET  86           HB2      MET  86   5.788  -7.702  -3.218
  621   2HB   MET  86           HB1      MET  86   4.141  -7.778  -3.846
  622   1HG   MET  86           HG2      MET  86   5.767  -9.294  -5.613
  623   2HG   MET  86           HG1      MET  86   6.194  -9.784  -3.972
  624   1HE   MET  86           HE3      MET  86   4.708 -10.445  -2.223
  625   2HE   MET  86           HE2      MET  86   3.383 -11.566  -2.521
  626   3HE   MET  86           HE1      MET  86   4.993 -11.935  -3.132
  627    H    LYS  87           HN       LYS  87   7.427  -5.441  -4.238
  628    HA   LYS  87           HA       LYS  87   9.506  -6.238  -6.112
  629   1HB   LYS  87           HB2      LYS  87   9.143  -4.210  -4.102
  630   2HB   LYS  87           HB1      LYS  87  10.674  -5.040  -3.818
  631   1HG   LYS  87           HG2      LYS  87  11.469  -4.549  -6.008
  632   2HG   LYS  87           HG1      LYS  87   9.864  -4.072  -6.564
  633   1HD   LYS  87           HD2      LYS  87  10.763  -2.534  -4.237
  634   2HD   LYS  87           HD1      LYS  87  11.820  -2.343  -5.636
  635   1HE   LYS  87           HE2      LYS  87   9.902  -1.744  -7.039
  636   2HE   LYS  87           HE1      LYS  87   8.808  -1.997  -5.680
  637   1HZ   LYS  87           HZ3      LYS  87  10.665  -0.298  -4.681
  638   2HZ   LYS  87           HZ2      LYS  87  10.494   0.247  -6.281
  639   3HZ   LYS  87           HZ1      LYS  87   9.137   0.152  -5.263
  640    H    GLU  88           HN       GLU  88   8.231  -7.603  -3.267
  641    HA   GLU  88           HA       GLU  88  10.401  -8.721  -1.924
  642   1HB   GLU  88           HB2      GLU  88   7.996  -9.085  -1.330
  643   2HB   GLU  88           HB1      GLU  88   7.872 -10.216  -2.679
  644   1HG   GLU  88           HG2      GLU  88   8.719 -11.859  -1.399
  645   2HG   GLU  88           HG1      GLU  88  10.182 -10.909  -1.135
  646    H    ASP  89           HN       ASP  89   9.203  -9.461  -5.126
  647    HA   ASP  89           HA       ASP  89  11.630 -10.783  -5.884
  648   1HB   ASP  89           HB2      ASP  89   9.510 -12.448  -4.717
  649   2HB   ASP  89           HB1      ASP  89  10.014 -12.984  -6.321
  650    H    ALA  90           HN       ALA  90   8.112 -10.948  -6.563
  651    HA   ALA  90           HA       ALA  90   6.978 -10.750  -8.616
  652   1HB   ALA  90           HB3      ALA  90   8.735  -8.518  -8.272
  653   2HB   ALA  90           HB2      ALA  90   8.736  -8.958  -9.980
  654   3HB   ALA  90           HB1      ALA  90   7.217  -8.580  -9.167
   
  No H/Q in entry =         654
  Start of MODEL   10
    1   1H    ALA   1           HT3      ALA   1 -12.316  -2.991 -11.165
    2   2H    ALA   1           HT2      ALA   1 -11.744  -4.550 -11.523
    3   3H    ALA   1           HT1      ALA   1 -12.767  -3.747 -12.615
    4    HA   ALA   1           HA       ALA   1 -14.534  -4.628 -11.650
    5   1HB   ALA   1           HB2      ALA   1 -12.731  -6.386 -11.026
    6   2HB   ALA   1           HB1      ALA   1 -12.823  -5.694  -9.406
    7   3HB   ALA   1           HB3      ALA   1 -14.255  -6.420 -10.138
    8    H    SER   2           HN       SER   2 -14.793  -5.066  -8.671
    9    HA   SER   2           HA       SER   2 -15.471  -2.253  -8.021
   10   1HB   SER   2           HB2      SER   2 -16.181  -4.858  -6.644
   11   2HB   SER   2           HB1      SER   2 -16.743  -3.267  -6.138
   12    HG   SER   2           HG       SER   2 -17.677  -3.059  -8.241
   13    H    MET   3           HN       MET   3 -12.828  -4.166  -7.643
   14    HA   MET   3           HA       MET   3 -10.914  -3.818  -6.306
   15   1HB   MET   3           HB2      MET   3 -11.990  -1.421  -6.129
   16   2HB   MET   3           HB1      MET   3 -12.443  -1.959  -4.511
   17   1HG   MET   3           HG2      MET   3  -9.918  -2.724  -4.393
   18   2HG   MET   3           HG1      MET   3  -9.710  -1.521  -5.666
   19   1HE   MET   3           HE3      MET   3 -11.544  -2.393  -2.700
   20   2HE   MET   3           HE2      MET   3 -10.785  -1.442  -1.425
   21   3HE   MET   3           HE1      MET   3 -12.266  -0.863  -2.182
   22    H    THR   4           HN       THR   4 -13.880  -5.031  -5.371
   23    HA   THR   4           HA       THR   4 -13.327  -5.586  -2.578
   24    HB   THR   4           HB       THR   4 -15.258  -6.876  -4.532
   25    HG1  THR   4           HG1      THR   4 -16.720  -5.510  -3.603
   26   1HG2  THR   4          HG21      THR   4 -14.414  -7.684  -1.910
   27   2HG2  THR   4          HG23      THR   4 -16.090  -7.139  -1.830
   28   3HG2  THR   4          HG22      THR   4 -15.632  -8.423  -2.948
   29    H    ASP   5           HN       ASP   5 -13.923  -8.132  -4.982
   30    HA   ASP   5           HA       ASP   5 -12.394 -10.124  -3.788
   31   1HB   ASP   5           HB2      ASP   5 -12.176 -11.140  -6.026
   32   2HB   ASP   5           HB1      ASP   5 -13.802 -10.493  -5.796
   33    H    GLN   6           HN       GLN   6 -11.312  -7.323  -5.550
   34    HA   GLN   6           HA       GLN   6  -8.729  -7.965  -6.343
   35   1HB   GLN   6           HB2      GLN   6  -9.917  -5.706  -6.487
   36   2HB   GLN   6           HB1      GLN   6  -9.384  -5.427  -4.829
   37   1HG   GLN   6           HG2      GLN   6  -7.024  -6.105  -5.783
   38   2HG   GLN   6           HG1      GLN   6  -7.741  -5.661  -7.331
   39   1HE2  GLN   6          HE22      GLN   6  -8.100  -2.179  -6.412
   40   2HE2  GLN   6          HE21      GLN   6  -8.870  -3.401  -7.304
   41    H    GLN   7           HN       GLN   7  -9.654  -6.805  -3.081
   42    HA   GLN   7           HA       GLN   7  -7.049  -7.279  -1.949
   43   1HB   GLN   7           HB2      GLN   7  -9.727  -7.145  -0.530
   44   2HB   GLN   7           HB1      GLN   7  -8.140  -6.914   0.205
   45   1HG   GLN   7           HG2      GLN   7  -7.872  -4.815  -0.696
   46   2HG   GLN   7           HG1      GLN   7  -8.802  -5.204  -2.144
   47   1HE2  GLN   7          HE22      GLN   7 -11.972  -4.476  -0.582
   48   2HE2  GLN   7          HE21      GLN   7 -11.254  -5.476  -1.751
   49    H    ALA   8           HN       ALA   8  -9.855  -9.301  -2.482
   50    HA   ALA   8           HA       ALA   8  -9.236 -11.373  -0.608
   51   1HB   ALA   8           HB1      ALA   8 -10.947 -11.088  -3.015
   52   2HB   ALA   8           HB3      ALA   8 -10.461 -12.735  -2.614
   53   3HB   ALA   8           HB2      ALA   8 -11.335 -11.761  -1.431
   54    H    GLU   9           HN       GLU   9  -7.857 -10.507  -3.678
   55    HA   GLU   9           HA       GLU   9  -6.611 -13.114  -4.138
   56   1HB   GLU   9           HB2      GLU   9  -6.977 -10.680  -5.608
   57   2HB   GLU   9           HB1      GLU   9  -5.254 -11.053  -5.567
   58   1HG   GLU   9           HG2      GLU   9  -5.545 -13.124  -6.627
   59   2HG   GLU   9           HG1      GLU   9  -7.251 -13.216  -6.188
   60    H    ALA  10           HN       ALA  10  -5.482  -9.897  -3.070
   61    HA   ALA  10           HA       ALA  10  -2.758 -10.613  -2.674
   62   1HB   ALA  10           HB1      ALA  10  -4.181  -8.303  -2.440
   63   2HB   ALA  10           HB3      ALA  10  -3.927  -8.697  -0.741
   64   3HB   ALA  10           HB2      ALA  10  -2.544  -8.505  -1.819
   65    H    ARG  11           HN       ARG  11  -5.434 -10.499  -0.298
   66    HA   ARG  11           HA       ARG  11  -3.976 -11.491   1.915
   67   1HB   ARG  11           HB2      ARG  11  -6.601 -10.755   1.433
   68   2HB   ARG  11           HB1      ARG  11  -6.731 -12.478   1.787
   69   1HG   ARG  11           HG2      ARG  11  -5.503 -12.178   3.878
   70   2HG   ARG  11           HG1      ARG  11  -5.258 -10.469   3.515
   71   1HD   ARG  11           HD2      ARG  11  -7.949 -10.604   3.272
   72   2HD   ARG  11           HD1      ARG  11  -7.694 -11.869   4.473
   73    HE   ARG  11           HE       ARG  11  -6.676  -9.081   4.857
   74   1HH1  ARG  11          HH11      ARG  11  -7.040 -12.125   6.237
   75   2HH1  ARG  11          HH12      ARG  11  -7.702 -11.559   7.734
   76   1HH2  ARG  11          HH21      ARG  11  -8.016  -8.277   6.657
   77   2HH2  ARG  11          HH22      ARG  11  -8.256  -9.379   7.971
   78    H    ALA  12           HN       ALA  12  -5.337 -13.178  -0.845
   79    HA   ALA  12           HA       ALA  12  -5.458 -15.810   0.141
   80   1HB   ALA  12           HB2      ALA  12  -5.791 -14.674  -2.313
   81   2HB   ALA  12           HB1      ALA  12  -4.269 -15.530  -2.553
   82   3HB   ALA  12           HB3      ALA  12  -5.707 -16.414  -2.043
   83    H    PHE  13           HN       PHE  13  -2.710 -14.717  -1.872
   84    HA   PHE  13           HA       PHE  13  -0.947 -16.745  -0.888
   85   1HB   PHE  13           HB2      PHE  13  -0.693 -15.379  -3.028
   86   2HB   PHE  13           HB1      PHE  13  -0.089 -14.069  -2.013
   87    HD1  PHE  13           HD1      PHE  13   0.409 -17.791  -1.952
   88    HD2  PHE  13           HD2      PHE  13   2.228 -13.908  -2.211
   89    HE1  PHE  13           HE1      PHE  13   2.655 -18.841  -1.926
   90    HE2  PHE  13           HE2      PHE  13   4.475 -14.959  -2.185
   91    HZ   PHE  13           HZ       PHE  13   4.687 -17.425  -2.043
   92    H    LEU  14           HN       LEU  14  -1.813 -13.600   0.343
   93    HA   LEU  14           HA       LEU  14   0.498 -13.365   2.103
   94   1HB   LEU  14           HB2      LEU  14  -1.921 -11.805   1.484
   95   2HB   LEU  14           HB1      LEU  14  -1.421 -11.712   3.172
   96    HG   LEU  14           HG       LEU  14  -0.392  -9.985   1.569
   97   1HD1  LEU  14          HD12      LEU  14   0.730 -11.508   3.735
   98   2HD1  LEU  14          HD11      LEU  14   2.011 -11.085   2.600
   99   3HD1  LEU  14          HD13      LEU  14   1.014  -9.819   3.315
  100   1HD2  LEU  14          HD22      LEU  14   0.049 -11.905  -0.145
  101   2HD2  LEU  14          HD21      LEU  14   1.285 -10.665   0.063
  102   3HD2  LEU  14          HD23      LEU  14   1.475 -12.238   0.839
  103    H    SER  15           HN       SER  15   0.327 -15.526   3.102
  104    HA   SER  15           HA       SER  15  -1.755 -16.666   4.496
  105   1HB   SER  15           HB2      SER  15   1.160 -16.431   5.248
  106   2HB   SER  15           HB1      SER  15   0.026 -17.368   6.217
  107    HG   SER  15           HG       SER  15   0.234 -18.881   4.789
  108    H    GLU  16           HN       GLU  16  -2.578 -16.485   6.664
  109    HA   GLU  16           HA       GLU  16  -3.063 -13.839   7.571
  110   1HB   GLU  16           HB2      GLU  16  -4.342 -16.015   8.120
  111   2HB   GLU  16           HB1      GLU  16  -3.136 -16.250   9.386
  112   1HG   GLU  16           HG2      GLU  16  -4.436 -14.938  10.685
  113   2HG   GLU  16           HG1      GLU  16  -3.889 -13.589   9.689
  114    H    GLU  17           HN       GLU  17  -0.836 -16.306   8.905
  115    HA   GLU  17           HA       GLU  17   0.230 -14.717  10.989
  116   1HB   GLU  17           HB2      GLU  17   0.624 -17.231  10.398
  117   2HB   GLU  17           HB1      GLU  17   1.966 -16.616   9.431
  118   1HG   GLU  17           HG2      GLU  17   2.719 -17.202  11.708
  119   2HG   GLU  17           HG1      GLU  17   2.877 -15.470  11.415
  120    H    MET  18           HN       MET  18   0.638 -14.434   7.577
  121    HA   MET  18           HA       MET  18   3.168 -12.944   7.784
  122   1HB   MET  18           HB2      MET  18   2.213 -14.435   5.788
  123   2HB   MET  18           HB1      MET  18   1.498 -12.897   5.306
  124   1HG   MET  18           HG2      MET  18   3.489 -12.084   4.626
  125   2HG   MET  18           HG1      MET  18   4.278 -12.583   6.121
  126   1HE   MET  18           HE2      MET  18   5.406 -12.243   3.636
  127   2HE   MET  18           HE1      MET  18   6.541 -13.587   3.539
  128   3HE   MET  18           HE3      MET  18   5.243 -13.433   2.347
  129    H    ILE  19           HN       ILE  19  -0.244 -12.224   7.004
  130    HA   ILE  19           HA       ILE  19   0.127  -9.422   6.589
  131    HB   ILE  19           HB       ILE  19  -2.365 -10.661   7.768
  132   1HG1  ILE  19          HG12      ILE  19  -2.298 -10.470   4.856
  133   2HG1  ILE  19          HG11      ILE  19  -1.069 -11.577   5.467
  134   1HG2  ILE  19          HG23      ILE  19  -2.226  -8.180   7.507
  135   2HG2  ILE  19          HG22      ILE  19  -1.947  -8.408   5.780
  136   3HG2  ILE  19          HG21      ILE  19  -3.480  -8.902   6.499
  137   1HD1  ILE  19          HD13      ILE  19  -3.433 -12.046   6.975
  138   2HD1  ILE  19          HD12      ILE  19  -3.905 -11.991   5.276
  139   3HD1  ILE  19          HD11      ILE  19  -2.666 -13.125   5.811
  140    H    ALA  20           HN       ALA  20  -0.439 -11.334   9.506
  141    HA   ALA  20           HA       ALA  20  -0.957  -9.213  11.317
  142   1HB   ALA  20           HB2      ALA  20  -1.025 -11.774  11.704
  143   2HB   ALA  20           HB1      ALA  20   0.698 -11.626  12.049
  144   3HB   ALA  20           HB3      ALA  20  -0.477 -10.759  13.038
  145    H    GLU  21           HN       GLU  21   2.041 -10.349   9.882
  146    HA   GLU  21           HA       GLU  21   3.677  -8.662  11.662
  147   1HB   GLU  21           HB2      GLU  21   4.442 -10.291   9.216
  148   2HB   GLU  21           HB1      GLU  21   5.573  -9.505  10.317
  149   1HG   GLU  21           HG2      GLU  21   3.956 -10.954  12.033
  150   2HG   GLU  21           HG1      GLU  21   4.110 -12.025  10.639
  151    H    PHE  22           HN       PHE  22   2.208  -8.533   8.502
  152    HA   PHE  22           HA       PHE  22   3.814  -6.311   7.524
  153   1HB   PHE  22           HB2      PHE  22   2.260  -8.075   6.253
  154   2HB   PHE  22           HB1      PHE  22   1.052  -6.812   6.494
  155    HD1  PHE  22           HD2      PHE  22   1.313  -4.598   5.470
  156    HD2  PHE  22           HD1      PHE  22   4.208  -7.707   4.839
  157    HE1  PHE  22           HE2      PHE  22   2.278  -3.313   3.582
  158    HE2  PHE  22           HE1      PHE  22   5.174  -6.422   2.950
  159    HZ   PHE  22           HZ       PHE  22   4.209  -4.225   2.321
  160    H    LYS  23           HN       LYS  23   1.019  -6.655   9.559
  161    HA   LYS  23           HA       LYS  23  -0.123  -4.055   9.188
  162   1HB   LYS  23           HB2      LYS  23  -0.506  -6.307  10.944
  163   2HB   LYS  23           HB1      LYS  23  -0.489  -4.819  11.893
  164   1HG   LYS  23           HG2      LYS  23  -2.085  -3.872  10.106
  165   2HG   LYS  23           HG1      LYS  23  -2.300  -5.544   9.589
  166   1HD   LYS  23           HD2      LYS  23  -2.908  -4.372  12.314
  167   2HD   LYS  23           HD1      LYS  23  -4.052  -5.070  11.169
  168   1HE   LYS  23           HE2      LYS  23  -2.657  -7.233  11.385
  169   2HE   LYS  23           HE1      LYS  23  -1.958  -6.481  12.818
  170   1HZ   LYS  23           HZ2      LYS  23  -4.488  -6.050  13.331
  171   2HZ   LYS  23           HZ1      LYS  23  -4.682  -7.428  12.356
  172   3HZ   LYS  23           HZ3      LYS  23  -3.730  -7.510  13.757
  173    H    ALA  24           HN       ALA  24   2.481  -5.253  11.271
  174    HA   ALA  24           HA       ALA  24   2.838  -3.056  12.973
  175   1HB   ALA  24           HB1      ALA  24   4.174  -5.256  12.867
  176   2HB   ALA  24           HB3      ALA  24   5.166  -4.454  11.648
  177   3HB   ALA  24           HB2      ALA  24   5.073  -3.796  13.282
  178    H    ALA  25           HN       ALA  25   4.025  -3.465   9.636
  179    HA   ALA  25           HA       ALA  25   5.334  -0.878   9.581
  180   1HB   ALA  25           HB1      ALA  25   5.803  -2.907   8.067
  181   2HB   ALA  25           HB3      ALA  25   4.372  -2.411   7.162
  182   3HB   ALA  25           HB2      ALA  25   5.757  -1.327   7.286
  183    H    PHE  26           HN       PHE  26   2.094  -2.033   8.934
  184    HA   PHE  26           HA       PHE  26   1.173   0.189   7.379
  185   1HB   PHE  26           HB2      PHE  26  -0.146  -1.851   7.521
  186   2HB   PHE  26           HB1      PHE  26  -0.320  -1.657   9.265
  187    HD1  PHE  26           HD1      PHE  26  -0.553   0.867   6.512
  188    HD2  PHE  26           HD2      PHE  26  -2.596  -1.223   9.661
  189    HE1  PHE  26           HE1      PHE  26  -2.554   2.289   6.159
  190    HE2  PHE  26           HE2      PHE  26  -4.596   0.199   9.307
  191    HZ   PHE  26           HZ       PHE  26  -4.575   1.955   7.556
  192    H    ASP  27           HN       ASP  27   0.940  -0.441  10.898
  193    HA   ASP  27           HA       ASP  27  -0.239   2.088  11.539
  194   1HB   ASP  27           HB2      ASP  27   0.344  -0.199  12.946
  195   2HB   ASP  27           HB1      ASP  27   1.540   0.929  13.584
  196    H    MET  28           HN       MET  28   3.087   1.073  11.030
  197    HA   MET  28           HA       MET  28   4.398   3.291  12.252
  198   1HB   MET  28           HB2      MET  28   5.094   1.201  10.285
  199   2HB   MET  28           HB1      MET  28   6.028   2.691  10.136
  200   1HG   MET  28           HG2      MET  28   5.612   1.373  12.817
  201   2HG   MET  28           HG1      MET  28   6.924   0.874  11.748
  202   1HE   MET  28           HE1      MET  28   8.728   1.599  11.429
  203   2HE   MET  28           HE3      MET  28   9.009   3.277  10.947
  204   3HE   MET  28           HE2      MET  28   9.610   2.688  12.495
  205    H    PHE  29           HN       PHE  29   2.579   3.026   9.307
  206    HA   PHE  29           HA       PHE  29   3.685   5.536   8.216
  207   1HB   PHE  29           HB2      PHE  29   1.325   3.952   7.176
  208   2HB   PHE  29           HB1      PHE  29   2.326   5.102   6.290
  209    HD1  PHE  29           HD1      PHE  29   5.041   4.369   7.100
  210    HD2  PHE  29           HD2      PHE  29   1.686   1.856   6.166
  211    HE1  PHE  29           HE1      PHE  29   6.588   2.537   6.472
  212    HE2  PHE  29           HE2      PHE  29   3.233   0.024   5.535
  213    HZ   PHE  29           HZ       PHE  29   5.685   0.365   5.688
  214    H    ASP  30           HN       ASP  30   0.464   4.344   9.249
  215    HA   ASP  30           HA       ASP  30  -0.731   6.968   9.190
  216   1HB   ASP  30           HB2      ASP  30  -2.197   5.074   9.072
  217   2HB   ASP  30           HB1      ASP  30  -1.524   4.382  10.548
  218    H    ALA  31           HN       ALA  31  -0.116   8.585  10.546
  219    HA   ALA  31           HA       ALA  31   0.587   7.838  13.357
  220   1HB   ALA  31           HB3      ALA  31   2.330   8.932  11.627
  221   2HB   ALA  31           HB2      ALA  31   1.566  10.409  12.213
  222   3HB   ALA  31           HB1      ALA  31   2.352   9.312  13.349
  223    H    ASP  32           HN       ASP  32  -1.757   9.250  11.501
  224    HA   ASP  32           HA       ASP  32  -2.380  11.376  13.486
  225   1HB   ASP  32           HB2      ASP  32  -4.157  12.016  11.825
  226   2HB   ASP  32           HB1      ASP  32  -2.521  12.093  11.171
  227    H    GLY  33           HN       GLY  33  -2.800   8.226  13.486
  228   1HA   GLY  33           HA2      GLY  33  -4.383   6.773  14.424
  229   2HA   GLY  33           HA1      GLY  33  -5.013   8.194  15.258
  230    H    GLY  34           HN       GLY  34  -4.868   7.705  11.748
  231   1HA   GLY  34           HA2      GLY  34  -7.848   7.943  11.722
  232   2HA   GLY  34           HA1      GLY  34  -6.798   8.458  10.402
  233    H    GLY  35           HN       GLY  35  -5.136   5.971  10.764
  234   1HA   GLY  35           HA2      GLY  35  -5.233   3.658  10.201
  235   2HA   GLY  35           HA1      GLY  35  -6.985   3.797  10.049
  236    H    ASP  36           HN       ASP  36  -4.320   5.575   8.464
  237    HA   ASP  36           HA       ASP  36  -4.662   4.320   5.907
  238   1HB   ASP  36           HB2      ASP  36  -6.384   6.664   6.546
  239   2HB   ASP  36           HB1      ASP  36  -5.612   6.658   4.961
  240    H    ILE  37           HN       ILE  37  -3.264   5.318   4.288
  241    HA   ILE  37           HA       ILE  37  -1.323   7.251   5.495
  242    HB   ILE  37           HB       ILE  37  -0.546   5.518   3.186
  243   1HG1  ILE  37          HG12      ILE  37  -0.501   4.506   6.042
  244   2HG1  ILE  37          HG11      ILE  37  -1.753   4.053   4.884
  245   1HG2  ILE  37          HG22      ILE  37   0.830   6.572   5.674
  246   2HG2  ILE  37          HG21      ILE  37   1.611   5.537   4.479
  247   3HG2  ILE  37          HG23      ILE  37   1.047   7.144   4.020
  248   1HD1  ILE  37          HD13      ILE  37   0.495   3.597   3.408
  249   2HD1  ILE  37          HD12      ILE  37   1.074   3.205   5.026
  250   3HD1  ILE  37          HD11      ILE  37  -0.323   2.359   4.362
  251    H    SER  38           HN       SER  38  -0.795   9.067   4.274
  252    HA   SER  38           HA       SER  38  -2.412   9.454   1.799
  253   1HB   SER  38           HB2      SER  38  -1.043  11.451   3.624
  254   2HB   SER  38           HB1      SER  38  -1.914  11.879   2.154
  255    HG   SER  38           HG       SER  38  -3.601  11.878   3.402
  256    H    THR  39           HN       THR  39  -1.125  11.183   0.306
  257    HA   THR  39           HA       THR  39   1.140   9.737  -0.731
  258    HB   THR  39           HB       THR  39   1.343  11.577  -2.321
  259    HG1  THR  39           HG1      THR  39   1.079  13.397  -1.220
  260   1HG2  THR  39          HG22      THR  39  -1.238  10.341  -1.654
  261   2HG2  THR  39          HG21      THR  39  -1.384  11.815  -2.613
  262   3HG2  THR  39          HG23      THR  39  -0.418  10.463  -3.210
  263    H    LYS  40           HN       LYS  40   0.842  11.909   1.858
  264    HA   LYS  40           HA       LYS  40   3.560  13.013   1.616
  265   1HB   LYS  40           HB2      LYS  40   1.193  13.482   3.297
  266   2HB   LYS  40           HB1      LYS  40   2.715  13.565   4.184
  267   1HG   LYS  40           HG2      LYS  40   3.163  14.918   1.746
  268   2HG   LYS  40           HG1      LYS  40   1.597  15.478   2.332
  269   1HD   LYS  40           HD2      LYS  40   2.809  16.885   3.638
  270   2HD   LYS  40           HD1      LYS  40   3.090  15.462   4.640
  271   1HE   LYS  40           HE2      LYS  40   5.274  15.387   4.077
  272   2HE   LYS  40           HE1      LYS  40   4.906  15.558   2.361
  273   1HZ   LYS  40           HZ3      LYS  40   4.445  17.964   3.847
  274   2HZ   LYS  40           HZ2      LYS  40   6.061  17.447   3.934
  275   3HZ   LYS  40           HZ1      LYS  40   5.335  17.727   2.423
  276    H    GLU  41           HN       GLU  41   1.958  11.230   4.282
  277    HA   GLU  41           HA       GLU  41   4.423  10.321   5.415
  278   1HB   GLU  41           HB2      GLU  41   2.304  10.381   6.685
  279   2HB   GLU  41           HB1      GLU  41   1.652   9.108   5.654
  280   1HG   GLU  41           HG2      GLU  41   2.566   7.586   7.036
  281   2HG   GLU  41           HG1      GLU  41   4.161   8.170   6.558
  282    H    LEU  42           HN       LEU  42   2.487   9.137   2.778
  283    HA   LEU  42           HA       LEU  42   3.532   6.436   2.783
  284   1HB   LEU  42           HB2      LEU  42   1.466   6.825   1.621
  285   2HB   LEU  42           HB1      LEU  42   2.182   8.116   0.657
  286    HG   LEU  42           HG       LEU  42   3.482   5.436   0.522
  287   1HD1  LEU  42          HD13      LEU  42   0.700   6.044  -0.368
  288   2HD1  LEU  42          HD12      LEU  42   1.721   5.128  -1.478
  289   3HD1  LEU  42          HD11      LEU  42   1.405   4.511   0.145
  290   1HD2  LEU  42          HD22      LEU  42   3.342   7.934  -0.974
  291   2HD2  LEU  42          HD21      LEU  42   4.540   6.643  -1.070
  292   3HD2  LEU  42          HD23      LEU  42   3.055   6.541  -2.015
  293    H    GLY  43           HN       GLY  43   4.508   9.486   1.289
  294   1HA   GLY  43           HA2      GLY  43   6.637   8.199  -0.268
  295   2HA   GLY  43           HA1      GLY  43   6.339   9.934  -0.158
  296    H    THR  44           HN       THR  44   6.246   9.218   2.943
  297    HA   THR  44           HA       THR  44   9.006  10.051   3.407
  298    HB   THR  44           HB       THR  44   8.357   9.974   5.801
  299    HG1  THR  44           HG1      THR  44   6.328   9.267   6.347
  300   1HG2  THR  44          HG22      THR  44   7.384  11.667   3.820
  301   2HG2  THR  44          HG21      THR  44   5.948  11.242   4.750
  302   3HG2  THR  44          HG23      THR  44   7.337  11.971   5.555
  303    H    VAL  45           HN       VAL  45   7.161   7.060   3.636
  304    HA   VAL  45           HA       VAL  45   9.161   5.583   5.102
  305    HB   VAL  45           HB       VAL  45   6.923   4.705   5.083
  306   1HG1  VAL  45          HG13      VAL  45   7.217   4.826   2.072
  307   2HG1  VAL  45          HG12      VAL  45   5.927   3.933   2.877
  308   3HG1  VAL  45          HG11      VAL  45   6.043   5.681   3.072
  309   1HG2  VAL  45          HG22      VAL  45   9.169   3.210   4.181
  310   2HG2  VAL  45          HG21      VAL  45   7.741   2.604   5.018
  311   3HG2  VAL  45          HG23      VAL  45   7.776   2.651   3.255
  312    H    MET  46           HN       MET  46   8.509   6.118   1.665
  313    HA   MET  46           HA       MET  46  10.750   4.361   0.891
  314   1HB   MET  46           HB2      MET  46   8.411   5.435  -0.399
  315   2HB   MET  46           HB1      MET  46   9.843   5.896  -1.322
  316   1HG   MET  46           HG2      MET  46   9.280   3.780  -2.200
  317   2HG   MET  46           HG1      MET  46  10.563   3.421  -1.046
  318   1HE   MET  46           HE2      MET  46   7.060   4.227  -1.474
  319   2HE   MET  46           HE1      MET  46   6.137   2.827  -0.936
  320   3HE   MET  46           HE3      MET  46   6.550   4.111   0.209
  321    H    ARG  47           HN       ARG  47  10.168   7.664   1.638
  322    HA   ARG  47           HA       ARG  47  12.246   8.859   0.042
  323   1HB   ARG  47           HB2      ARG  47  10.577  10.308   0.972
  324   2HB   ARG  47           HB1      ARG  47  10.880   9.712   2.605
  325   1HG   ARG  47           HG2      ARG  47  13.336  10.684   1.424
  326   2HG   ARG  47           HG1      ARG  47  12.092  11.933   1.361
  327   1HD   ARG  47           HD2      ARG  47  11.971  12.121   3.643
  328   2HD   ARG  47           HD1      ARG  47  12.309  10.411   3.906
  329    HE   ARG  47           HE       ARG  47  14.705  11.389   2.950
  330   1HH1  ARG  47          HH21      ARG  47  12.925  13.585   4.621
  331   2HH1  ARG  47          HH22      ARG  47  13.955  13.679   6.010
  332   1HH2  ARG  47          HH11      ARG  47  15.867  10.932   5.106
  333   2HH2  ARG  47          HH12      ARG  47  15.622  12.177   6.285
  334    H    MET  48           HN       MET  48  12.159   7.624   3.388
  335    HA   MET  48           HA       MET  48  15.025   8.178   3.730
  336   1HB   MET  48           HB2      MET  48  14.739   7.348   5.968
  337   2HB   MET  48           HB1      MET  48  13.313   8.320   5.600
  338   1HG   MET  48           HG2      MET  48  12.286   6.429   6.448
  339   2HG   MET  48           HG1      MET  48  12.374   5.982   4.745
  340   1HE   MET  48           HE2      MET  48  13.641   5.812   8.194
  341   2HE   MET  48           HE1      MET  48  12.702   4.329   8.037
  342   3HE   MET  48           HE3      MET  48  14.442   4.251   8.350
  343    H    LEU  49           HN       LEU  49  12.941   5.407   3.064
  344    HA   LEU  49           HA       LEU  49  15.246   3.562   3.180
  345   1HB   LEU  49           HB2      LEU  49  12.908   2.962   4.005
  346   2HB   LEU  49           HB1      LEU  49  12.421   2.922   2.309
  347    HG   LEU  49           HG       LEU  49  14.890   1.434   2.781
  348   1HD1  LEU  49          HD12      LEU  49  12.353   0.558   4.198
  349   2HD1  LEU  49          HD11      LEU  49  13.789  -0.444   3.981
  350   3HD1  LEU  49          HD13      LEU  49  13.872   1.011   4.973
  351   1HD2  LEU  49          HD22      LEU  49  12.563   1.409   1.114
  352   2HD2  LEU  49          HD21      LEU  49  14.040   0.461   0.936
  353   3HD2  LEU  49          HD23      LEU  49  12.695  -0.170   1.889
  354    H    GLY  50           HN       GLY  50  14.685   5.792   1.043
  355   1HA   GLY  50           HA2      GLY  50  15.738   4.235  -1.183
  356   2HA   GLY  50           HA1      GLY  50  14.080   4.769  -1.459
  357    H    GLN  51           HN       GLN  51  13.733   6.876  -2.095
  358    HA   GLN  51           HA       GLN  51  16.005   8.811  -1.887
  359   1HB   GLN  51           HB2      GLN  51  14.439   9.044  -4.357
  360   2HB   GLN  51           HB1      GLN  51  16.186   9.087  -4.139
  361   1HG   GLN  51           HG2      GLN  51  14.569   6.529  -4.060
  362   2HG   GLN  51           HG1      GLN  51  15.327   7.144  -5.528
  363   1HE2  GLN  51          HE22      GLN  51  17.776   4.818  -3.980
  364   2HE2  GLN  51          HE21      GLN  51  16.236   4.683  -4.678
  365    H    ASN  52           HN       ASN  52  15.188  11.104  -2.018
  366    HA   ASN  52           HA       ASN  52  12.581  11.324  -0.802
  367   1HB   ASN  52           HB2      ASN  52  14.388  13.342  -2.158
  368   2HB   ASN  52           HB1      ASN  52  12.822  13.786  -1.477
  369   1HD2  ASN  52          HD22      ASN  52  14.337  14.228   1.666
  370   2HD2  ASN  52          HD21      ASN  52  13.296  14.837   0.471
  371    HA   PRO  53           HA       PRO  53  10.590  10.981  -4.782
  372   1HB   PRO  53           HB2      PRO  53   8.082  10.581  -3.754
  373   2HB   PRO  53           HB1      PRO  53   9.331   9.324  -3.788
  374   1HG   PRO  53           HG2      PRO  53   8.267  10.797  -1.461
  375   2HG   PRO  53           HG1      PRO  53   9.195   9.290  -1.504
  376   1HD   PRO  53           HD2      PRO  53  10.160  11.966  -0.924
  377   2HD   PRO  53           HD1      PRO  53  11.057  10.429  -0.891
  378    H    THR  54           HN       THR  54   8.317  11.995  -5.591
  379    HA   THR  54           HA       THR  54   8.403  14.882  -4.838
  380    HB   THR  54           HB       THR  54   7.041  13.796  -7.296
  381    HG1  THR  54           HG1      THR  54   8.941  13.052  -7.815
  382   1HG2  THR  54          HG23      THR  54   8.066  16.402  -6.281
  383   2HG2  THR  54          HG22      THR  54   8.187  16.109  -8.015
  384   3HG2  THR  54          HG21      THR  54   6.614  16.053  -7.219
  385    H    LYS  55           HN       LYS  55   6.282  16.001  -4.745
  386    HA   LYS  55           HA       LYS  55   4.381  14.614  -3.137
  387   1HB   LYS  55           HB2      LYS  55   4.588  17.092  -3.204
  388   2HB   LYS  55           HB1      LYS  55   3.925  17.084  -4.839
  389   1HG   LYS  55           HG2      LYS  55   2.249  17.544  -2.966
  390   2HG   LYS  55           HG1      LYS  55   1.817  16.250  -4.085
  391   1HD   LYS  55           HD2      LYS  55   2.091  14.610  -2.509
  392   2HD   LYS  55           HD1      LYS  55   3.420  15.452  -1.712
  393   1HE   LYS  55           HE2      LYS  55   0.532  16.356  -1.553
  394   2HE   LYS  55           HE1      LYS  55   1.302  15.331  -0.342
  395   1HZ   LYS  55           HZ2      LYS  55   3.088  17.304  -0.580
  396   2HZ   LYS  55           HZ1      LYS  55   1.646  18.157  -0.860
  397   3HZ   LYS  55           HZ3      LYS  55   1.846  17.285   0.580
  398    H    GLU  56           HN       GLU  56   4.567  15.173  -6.621
  399    HA   GLU  56           HA       GLU  56   1.961  13.855  -7.029
  400   1HB   GLU  56           HB2      GLU  56   2.284  14.383  -9.389
  401   2HB   GLU  56           HB1      GLU  56   2.641  15.816  -8.424
  402   1HG   GLU  56           HG2      GLU  56   5.086  15.070  -8.474
  403   2HG   GLU  56           HG1      GLU  56   4.605  13.917  -9.718
  404    H    GLU  57           HN       GLU  57   5.232  12.974  -6.748
  405    HA   GLU  57           HA       GLU  57   5.376  10.798  -8.602
  406   1HB   GLU  57           HB2      GLU  57   7.300  11.835  -7.282
  407   2HB   GLU  57           HB1      GLU  57   6.738  10.892  -5.901
  408   1HG   GLU  57           HG2      GLU  57   6.793   9.021  -7.941
  409   2HG   GLU  57           HG1      GLU  57   8.212  10.015  -8.278
  410    H    LEU  58           HN       LEU  58   4.339  10.960  -5.198
  411    HA   LEU  58           HA       LEU  58   3.749   8.133  -5.012
  412   1HB   LEU  58           HB2      LEU  58   2.748  10.490  -3.383
  413   2HB   LEU  58           HB1      LEU  58   2.465   8.801  -2.969
  414    HG   LEU  58           HG       LEU  58   4.366   9.361  -1.693
  415   1HD1  LEU  58          HD13      LEU  58   4.595   7.404  -3.482
  416   2HD1  LEU  58          HD12      LEU  58   5.857   8.455  -4.125
  417   3HD1  LEU  58          HD11      LEU  58   5.959   7.868  -2.464
  418   1HD2  LEU  58          HD21      LEU  58   4.617  11.493  -3.335
  419   2HD2  LEU  58          HD23      LEU  58   5.899  10.978  -2.238
  420   3HD2  LEU  58          HD22      LEU  58   5.948  10.504  -3.937
  421    H    ASP  59           HN       ASP  59   2.108  10.871  -6.343
  422    HA   ASP  59           HA       ASP  59  -0.582   9.848  -6.200
  423   1HB   ASP  59           HB2      ASP  59   0.785  12.117  -7.381
  424   2HB   ASP  59           HB1      ASP  59  -0.374  11.431  -8.520
  425    H    ALA  60           HN       ALA  60   2.132   9.272  -8.333
  426    HA   ALA  60           HA       ALA  60   0.748   8.170 -10.565
  427   1HB   ALA  60           HB1      ALA  60   3.238   8.694 -10.392
  428   2HB   ALA  60           HB3      ALA  60   3.406   7.180  -9.503
  429   3HB   ALA  60           HB2      ALA  60   2.839   7.164 -11.174
  430    H    ILE  61           HN       ILE  61   1.648   6.799  -7.445
  431    HA   ILE  61           HA       ILE  61   0.669   4.123  -8.231
  432    HB   ILE  61           HB       ILE  61   1.339   4.861  -5.405
  433   1HG1  ILE  61          HG12      ILE  61   3.742   4.031  -6.600
  434   2HG1  ILE  61          HG11      ILE  61   3.104   5.282  -7.668
  435   1HG2  ILE  61          HG21      ILE  61   1.434   2.466  -7.187
  436   2HG2  ILE  61          HG23      ILE  61   2.577   2.557  -5.848
  437   3HG2  ILE  61          HG22      ILE  61   0.843   2.612  -5.531
  438   1HD1  ILE  61          HD13      ILE  61   2.611   6.437  -5.277
  439   2HD1  ILE  61          HD12      ILE  61   4.037   5.488  -4.857
  440   3HD1  ILE  61          HD11      ILE  61   4.119   6.672  -6.160
  441    H    ILE  62           HN       ILE  62  -0.316   6.921  -6.343
  442    HA   ILE  62           HA       ILE  62  -2.436   5.852  -4.855
  443    HB   ILE  62           HB       ILE  62  -2.091   8.541  -6.196
  444   1HG1  ILE  62          HG12      ILE  62  -0.587   8.060  -4.334
  445   2HG1  ILE  62          HG11      ILE  62  -1.787   9.243  -3.814
  446   1HG2  ILE  62          HG22      ILE  62  -4.533   7.943  -5.937
  447   2HG2  ILE  62          HG21      ILE  62  -4.249   7.789  -4.202
  448   3HG2  ILE  62          HG23      ILE  62  -4.031   9.348  -4.998
  449   1HD1  ILE  62          HD12      ILE  62  -2.993   6.784  -3.283
  450   2HD1  ILE  62          HD11      ILE  62  -1.308   6.542  -2.822
  451   3HD1  ILE  62          HD13      ILE  62  -2.242   7.851  -2.096
  452    H    GLU  63           HN       GLU  63  -2.315   6.737  -8.279
  453    HA   GLU  63           HA       GLU  63  -5.157   6.226  -8.704
  454   1HB   GLU  63           HB2      GLU  63  -2.920   7.246 -10.246
  455   2HB   GLU  63           HB1      GLU  63  -3.821   6.047 -11.173
  456   1HG   GLU  63           HG2      GLU  63  -5.935   7.311 -10.392
  457   2HG   GLU  63           HG1      GLU  63  -4.830   8.614  -9.955
  458    H    GLU  64           HN       GLU  64  -2.147   4.422  -8.991
  459    HA   GLU  64           HA       GLU  64  -3.251   2.178 -10.427
  460   1HB   GLU  64           HB2      GLU  64  -0.860   2.436 -10.408
  461   2HB   GLU  64           HB1      GLU  64  -0.820   2.471  -8.645
  462   1HG   GLU  64           HG2      GLU  64  -0.133   0.258  -9.585
  463   2HG   GLU  64           HG1      GLU  64  -1.545   0.148  -8.535
  464    H    VAL  65           HN       VAL  65  -3.692   3.292  -7.254
  465    HA   VAL  65           HA       VAL  65  -4.926   0.681  -6.516
  466    HB   VAL  65           HB       VAL  65  -3.686   2.227  -4.303
  467   1HG1  VAL  65          HG13      VAL  65  -3.948  -0.689  -5.079
  468   2HG1  VAL  65          HG12      VAL  65  -3.089  -0.147  -3.637
  469   3HG1  VAL  65          HG11      VAL  65  -4.818   0.165  -3.803
  470   1HG2  VAL  65          HG23      VAL  65  -2.113   0.917  -6.510
  471   2HG2  VAL  65          HG22      VAL  65  -1.774   2.416  -5.644
  472   3HG2  VAL  65          HG21      VAL  65  -1.507   0.860  -4.853
  473    H    ASP  66           HN       ASP  66  -4.505   3.932  -5.072
  474    HA   ASP  66           HA       ASP  66  -7.186   3.992  -4.022
  475   1HB   ASP  66           HB2      ASP  66  -5.405   5.368  -3.050
  476   2HB   ASP  66           HB1      ASP  66  -5.230   6.246  -4.570
  477    H    GLU  67           HN       GLU  67  -8.505   3.458  -5.883
  478    HA   GLU  67           HA       GLU  67  -8.468   5.264  -8.198
  479   1HB   GLU  67           HB2      GLU  67  -8.993   2.747  -8.250
  480   2HB   GLU  67           HB1      GLU  67 -10.568   3.180  -7.585
  481   1HG   GLU  67           HG2      GLU  67 -11.127   3.375  -9.796
  482   2HG   GLU  67           HG1      GLU  67 -10.414   4.976  -9.604
  483    H    ASP  68           HN       ASP  68 -10.245   4.912  -5.210
  484    HA   ASP  68           HA       ASP  68 -12.643   6.240  -5.794
  485   1HB   ASP  68           HB2      ASP  68 -11.924   5.248  -3.561
  486   2HB   ASP  68           HB1      ASP  68 -11.027   6.741  -3.284
  487    H    GLY  69           HN       GLY  69  -9.826   7.907  -4.329
  488   1HA   GLY  69           HA2      GLY  69  -9.135   9.881  -5.970
  489   2HA   GLY  69           HA1      GLY  69 -10.772  10.420  -5.591
  490    H    SER  70           HN       SER  70 -10.117   8.997  -2.834
  491    HA   SER  70           HA       SER  70  -9.700  11.345  -1.325
  492   1HB   SER  70           HB2      SER  70  -9.856   8.515  -0.809
  493   2HB   SER  70           HB1      SER  70  -8.539   9.208   0.131
  494    HG   SER  70           HG       SER  70 -10.962   9.276   0.832
  495    H    GLY  71           HN       GLY  71  -7.430   9.427  -3.100
  496   1HA   GLY  71           HA2      GLY  71  -5.161   9.887  -3.555
  497   2HA   GLY  71           HA1      GLY  71  -5.309  11.344  -2.571
  498    H    THR  72           HN       THR  72  -6.145   8.131  -1.400
  499    HA   THR  72           HA       THR  72  -3.594   7.790  -0.005
  500    HB   THR  72           HB       THR  72  -4.278   9.102   1.747
  501    HG1  THR  72           HG1      THR  72  -6.093   7.156   2.525
  502   1HG2  THR  72          HG21      THR  72  -6.342   9.795   0.461
  503   2HG2  THR  72          HG23      THR  72  -7.178   8.428   1.197
  504   3HG2  THR  72          HG22      THR  72  -6.557   9.731   2.210
  505    H    ILE  73           HN       ILE  73  -3.503   5.691   1.087
  506    HA   ILE  73           HA       ILE  73  -5.769   3.877   0.381
  507    HB   ILE  73           HB       ILE  73  -2.837   3.165   0.114
  508   1HG1  ILE  73          HG12      ILE  73  -4.431   3.303  -2.338
  509   2HG1  ILE  73          HG11      ILE  73  -4.275   4.872  -1.545
  510   1HG2  ILE  73          HG22      ILE  73  -4.465   1.312   0.547
  511   2HG2  ILE  73          HG21      ILE  73  -5.341   1.792  -0.907
  512   3HG2  ILE  73          HG23      ILE  73  -3.687   1.192  -1.031
  513   1HD1  ILE  73          HD13      ILE  73  -1.902   3.061  -2.026
  514   2HD1  ILE  73          HD12      ILE  73  -2.423   4.267  -3.204
  515   3HD1  ILE  73          HD11      ILE  73  -1.890   4.772  -1.600
  516    H    ASP  74           HN       ASP  74  -6.037   2.089   1.824
  517    HA   ASP  74           HA       ASP  74  -4.958   2.585   4.520
  518   1HB   ASP  74           HB2      ASP  74  -6.550   0.909   5.255
  519   2HB   ASP  74           HB1      ASP  74  -7.371   1.975   4.114
  520    H    PHE  75           HN       PHE  75  -5.020  -0.241   5.308
  521    HA   PHE  75           HA       PHE  75  -2.344  -0.955   4.283
  522   1HB   PHE  75           HB2      PHE  75  -2.026  -1.991   6.282
  523   2HB   PHE  75           HB1      PHE  75  -3.455  -1.100   6.792
  524    HD1  PHE  75           HD2      PHE  75  -5.770  -2.267   6.237
  525    HD2  PHE  75           HD1      PHE  75  -2.002  -4.316   6.486
  526    HE1  PHE  75           HE2      PHE  75  -6.958  -4.411   6.619
  527    HE2  PHE  75           HE1      PHE  75  -3.190  -6.457   6.868
  528    HZ   PHE  75           HZ       PHE  75  -5.669  -6.505   6.935
  529    H    GLU  76           HN       GLU  76  -5.668  -1.967   3.992
  530    HA   GLU  76           HA       GLU  76  -5.190  -4.616   2.987
  531   1HB   GLU  76           HB2      GLU  76  -7.489  -2.683   2.582
  532   2HB   GLU  76           HB1      GLU  76  -7.499  -4.344   1.988
  533   1HG   GLU  76           HG2      GLU  76  -7.090  -5.135   4.324
  534   2HG   GLU  76           HG1      GLU  76  -7.228  -3.466   4.877
  535    H    GLU  77           HN       GLU  77  -6.378  -1.845   1.059
  536    HA   GLU  77           HA       GLU  77  -5.796  -2.799  -1.471
  537   1HB   GLU  77           HB2      GLU  77  -5.922  -0.094  -0.261
  538   2HB   GLU  77           HB1      GLU  77  -5.069  -0.200  -1.801
  539   1HG   GLU  77           HG2      GLU  77  -7.162  -1.648  -2.508
  540   2HG   GLU  77           HG1      GLU  77  -7.945  -0.781  -1.186
  541    H    PHE  78           HN       PHE  78  -3.516  -1.211   0.759
  542    HA   PHE  78           HA       PHE  78  -1.268  -1.092  -0.936
  543   1HB   PHE  78           HB2      PHE  78  -1.278  -0.089   1.301
  544   2HB   PHE  78           HB1      PHE  78  -1.365  -1.688   2.037
  545    HD1  PHE  78           HD2      PHE  78   0.598  -1.589  -0.977
  546    HD2  PHE  78           HD1      PHE  78   0.756  -0.891   3.259
  547    HE1  PHE  78           HE2      PHE  78   3.072  -1.760  -1.040
  548    HE2  PHE  78           HE1      PHE  78   3.229  -1.061   3.194
  549    HZ   PHE  78           HZ       PHE  78   4.386  -1.495   1.045
  550    H    LEU  79           HN       LEU  79  -2.223  -3.759   1.253
  551    HA   LEU  79           HA       LEU  79  -0.173  -5.572   0.715
  552   1HB   LEU  79           HB2      LEU  79  -2.907  -5.721   1.682
  553   2HB   LEU  79           HB1      LEU  79  -2.506  -7.135   0.708
  554    HG   LEU  79           HG       LEU  79  -0.292  -7.148   2.104
  555   1HD1  LEU  79          HD13      LEU  79  -0.941  -4.887   3.136
  556   2HD1  LEU  79          HD12      LEU  79  -2.122  -5.787   4.089
  557   3HD1  LEU  79          HD11      LEU  79  -0.401  -6.137   4.257
  558   1HD2  LEU  79          HD22      LEU  79  -2.814  -8.393   2.361
  559   2HD2  LEU  79          HD21      LEU  79  -1.275  -8.968   3.001
  560   3HD2  LEU  79          HD23      LEU  79  -2.323  -7.958   3.998
  561    H    VAL  80           HN       VAL  80  -3.011  -4.841  -1.282
  562    HA   VAL  80           HA       VAL  80  -2.715  -6.911  -3.199
  563    HB   VAL  80           HB       VAL  80  -3.639  -4.077  -3.748
  564   1HG1  VAL  80          HG13      VAL  80  -3.830  -6.710  -5.146
  565   2HG1  VAL  80          HG12      VAL  80  -5.218  -5.626  -5.241
  566   3HG1  VAL  80          HG11      VAL  80  -3.641  -5.092  -5.822
  567   1HG2  VAL  80          HG21      VAL  80  -4.721  -6.127  -2.004
  568   2HG2  VAL  80          HG23      VAL  80  -5.285  -4.477  -2.258
  569   3HG2  VAL  80          HG22      VAL  80  -5.843  -5.773  -3.317
  570    H    MET  81           HN       MET  81  -1.496  -3.548  -3.383
  571    HA   MET  81           HA       MET  81  -0.101  -3.670  -5.777
  572   1HB   MET  81           HB2      MET  81  -0.154  -1.601  -4.581
  573   2HB   MET  81           HB1      MET  81   0.636  -2.316  -3.176
  574   1HG   MET  81           HG2      MET  81   2.706  -2.588  -4.395
  575   2HG   MET  81           HG1      MET  81   1.936  -2.100  -5.905
  576   1HE   MET  81           HE1      MET  81   1.843  -1.100  -2.284
  577   2HE   MET  81           HE3      MET  81   2.024   0.660  -2.253
  578   3HE   MET  81           HE2      MET  81   0.540  -0.068  -2.863
  579    H    MET  82           HN       MET  82   1.040  -4.834  -2.603
  580    HA   MET  82           HA       MET  82   3.643  -5.616  -3.486
  581   1HB   MET  82           HB2      MET  82   1.934  -6.759  -1.257
  582   2HB   MET  82           HB1      MET  82   3.662  -7.051  -1.462
  583   1HG   MET  82           HG2      MET  82   3.296  -4.244  -1.606
  584   2HG   MET  82           HG1      MET  82   2.359  -4.804  -0.222
  585   1HE   MET  82           HE3      MET  82   5.242  -5.626  -2.239
  586   2HE   MET  82           HE2      MET  82   6.673  -5.217  -1.296
  587   3HE   MET  82           HE1      MET  82   5.984  -6.834  -1.181
  588    H    VAL  83           HN       VAL  83   0.613  -7.499  -3.204
  589    HA   VAL  83           HA       VAL  83   1.721  -9.960  -4.140
  590    HB   VAL  83           HB       VAL  83  -1.089  -8.844  -4.159
  591   1HG1  VAL  83          HG12      VAL  83  -0.753 -10.432  -6.070
  592   2HG1  VAL  83          HG11      VAL  83  -0.228 -11.653  -4.911
  593   3HG1  VAL  83          HG13      VAL  83  -1.880 -11.037  -4.856
  594   1HG2  VAL  83          HG23      VAL  83   0.564 -10.062  -2.212
  595   2HG2  VAL  83          HG22      VAL  83  -1.160  -9.714  -2.079
  596   3HG2  VAL  83          HG21      VAL  83  -0.622 -11.282  -2.679
  597    H    ARG  84           HN       ARG  84   1.051  -7.035  -5.803
  598    HA   ARG  84           HA       ARG  84   0.749  -8.360  -8.425
  599   1HB   ARG  84           HB2      ARG  84   0.715  -5.503  -7.473
  600   2HB   ARG  84           HB1      ARG  84   0.896  -5.868  -9.189
  601   1HG   ARG  84           HG2      ARG  84  -1.175  -7.523  -8.514
  602   2HG   ARG  84           HG1      ARG  84  -1.471  -6.150  -7.447
  603   1HD   ARG  84           HD2      ARG  84  -0.848  -5.712 -10.361
  604   2HD   ARG  84           HD1      ARG  84  -2.491  -6.093  -9.843
  605    HE   ARG  84           HE       ARG  84  -1.226  -3.881  -8.381
  606   1HH1  ARG  84          HH11      ARG  84  -1.768  -3.779 -11.550
  607   2HH1  ARG  84          HH12      ARG  84  -3.170  -2.763 -11.526
  608   1HH2  ARG  84          HH21      ARG  84  -3.654  -3.062  -8.106
  609   2HH2  ARG  84          HH22      ARG  84  -4.238  -2.357  -9.576
  610    H    GLN  85           HN       GLN  85   2.788  -5.529  -7.859
  611    HA   GLN  85           HA       GLN  85   4.947  -6.810  -9.391
  612   1HB   GLN  85           HB2      GLN  85   4.235  -4.085  -8.544
  613   2HB   GLN  85           HB1      GLN  85   5.964  -4.421  -8.454
  614   1HG   GLN  85           HG2      GLN  85   6.084  -4.121 -10.681
  615   2HG   GLN  85           HG1      GLN  85   5.079  -5.558 -10.884
  616   1HE2  GLN  85          HE22      GLN  85   2.018  -3.520 -11.048
  617   2HE2  GLN  85          HE21      GLN  85   2.573  -4.894 -10.222
  618    H    MET  86           HN       MET  86   5.972  -8.372  -8.153
  619    HA   MET  86           HA       MET  86   6.617  -7.791  -5.331
  620   1HB   MET  86           HB2      MET  86   7.256 -10.242  -7.002
  621   2HB   MET  86           HB1      MET  86   7.400 -10.106  -5.248
  622   1HG   MET  86           HG2      MET  86   4.806  -9.303  -5.656
  623   2HG   MET  86           HG1      MET  86   5.003 -10.532  -6.906
  624   1HE   MET  86           HE2      MET  86   5.264  -9.525  -3.303
  625   2HE   MET  86           HE1      MET  86   3.623 -10.125  -3.536
  626   3HE   MET  86           HE3      MET  86   4.723 -10.954  -2.423
  627    H    LYS  87           HN       LYS  87   8.662  -9.284  -7.855
  628    HA   LYS  87           HA       LYS  87  11.080  -8.273  -6.704
  629   1HB   LYS  87           HB2      LYS  87  12.189  -9.164  -8.625
  630   2HB   LYS  87           HB1      LYS  87  10.833 -10.245  -8.308
  631   1HG   LYS  87           HG2      LYS  87   9.517  -9.231 -10.055
  632   2HG   LYS  87           HG1      LYS  87  10.700  -7.939 -10.268
  633   1HD   LYS  87           HD2      LYS  87  12.291  -9.393 -11.236
  634   2HD   LYS  87           HD1      LYS  87  11.475 -10.832 -10.626
  635   1HE   LYS  87           HE2      LYS  87   9.998 -10.882 -12.358
  636   2HE   LYS  87           HE1      LYS  87   9.818  -9.128 -12.379
  637   1HZ   LYS  87           HZ3      LYS  87  12.279 -10.469 -13.325
  638   2HZ   LYS  87           HZ2      LYS  87  10.961 -10.173 -14.356
  639   3HZ   LYS  87           HZ1      LYS  87  11.774  -8.876 -13.616
  640    H    GLU  88           HN       GLU  88   8.855  -6.930  -9.075
  641    HA   GLU  88           HA       GLU  88  10.485  -4.963 -10.262
  642   1HB   GLU  88           HB2      GLU  88   8.043  -5.442 -10.784
  643   2HB   GLU  88           HB1      GLU  88   7.632  -4.492  -9.356
  644   1HG   GLU  88           HG2      GLU  88   9.547  -3.053 -10.966
  645   2HG   GLU  88           HG1      GLU  88   8.161  -3.519 -11.955
  646    H    ASP  89           HN       ASP  89   9.316  -5.224  -7.006
  647    HA   ASP  89           HA       ASP  89  11.086  -3.301  -5.946
  648   1HB   ASP  89           HB2      ASP  89   9.499  -1.441  -5.435
  649   2HB   ASP  89           HB1      ASP  89   9.791  -1.620  -7.165
  650    H    ALA  90           HN       ALA  90  11.040  -5.235  -4.550
  651    HA   ALA  90           HA       ALA  90   8.714  -5.216  -2.668
  652   1HB   ALA  90           HB1      ALA  90   9.999  -7.367  -4.078
  653   2HB   ALA  90           HB3      ALA  90  10.231  -7.597  -2.346
  654   3HB   ALA  90           HB2      ALA  90   8.602  -7.438  -3.004
   
  No H/Q in entry =         654
  Start of MODEL   11
    1   1H    ALA   1           HT2      ALA   1 -11.329  -4.375 -11.430
    2   2H    ALA   1           HT1      ALA   1 -13.001  -4.464 -11.717
    3   3H    ALA   1           HT3      ALA   1 -12.275  -2.964 -11.400
    4    HA   ALA   1           HA       ALA   1 -13.429  -3.702  -9.441
    5   1HB   ALA   1           HB2      ALA   1 -13.200  -6.156 -10.136
    6   2HB   ALA   1           HB1      ALA   1 -11.576  -6.093  -9.453
    7   3HB   ALA   1           HB3      ALA   1 -12.979  -5.813  -8.421
    8    H    SER   2           HN       SER   2 -11.599  -4.790  -7.406
    9    HA   SER   2           HA       SER   2  -9.042  -3.546  -7.489
   10   1HB   SER   2           HB2      SER   2 -11.148  -1.683  -7.196
   11   2HB   SER   2           HB1      SER   2 -10.410  -1.839  -5.605
   12    HG   SER   2           HG       SER   2  -9.450  -0.692  -7.879
   13    H    MET   3           HN       MET   3 -11.807  -4.557  -5.541
   14    HA   MET   3           HA       MET   3  -9.885  -5.380  -3.402
   15   1HB   MET   3           HB2      MET   3 -12.760  -4.492  -3.312
   16   2HB   MET   3           HB1      MET   3 -12.100  -5.502  -2.025
   17   1HG   MET   3           HG2      MET   3 -10.127  -3.632  -2.269
   18   2HG   MET   3           HG1      MET   3 -11.548  -2.669  -2.666
   19   1HE   MET   3           HE3      MET   3  -9.246  -3.291  -0.351
   20   2HE   MET   3           HE2      MET   3 -10.025  -1.755   0.021
   21   3HE   MET   3           HE1      MET   3  -9.963  -3.022   1.245
   22    H    THR   4           HN       THR   4 -13.183  -6.516  -3.637
   23    HA   THR   4           HA       THR   4 -12.965  -9.152  -3.147
   24    HB   THR   4           HB       THR   4 -15.095  -8.249  -3.781
   25    HG1  THR   4           HG1      THR   4 -15.290 -10.301  -4.308
   26   1HG2  THR   4          HG22      THR   4 -13.989  -6.670  -5.456
   27   2HG2  THR   4          HG21      THR   4 -14.068  -8.001  -6.609
   28   3HG2  THR   4          HG23      THR   4 -15.552  -7.331  -5.932
   29    H    ASP   5           HN       ASP   5 -12.174  -7.764  -6.347
   30    HA   ASP   5           HA       ASP   5 -11.218 -10.393  -7.280
   31   1HB   ASP   5           HB2      ASP   5 -11.877  -7.793  -8.504
   32   2HB   ASP   5           HB1      ASP   5 -10.475  -8.594  -9.216
   33    H    GLN   6           HN       GLN   6  -9.837  -7.162  -6.616
   34    HA   GLN   6           HA       GLN   6  -7.110  -8.187  -7.014
   35   1HB   GLN   6           HB2      GLN   6  -8.352  -5.628  -7.002
   36   2HB   GLN   6           HB1      GLN   6  -7.158  -5.629  -5.704
   37   1HG   GLN   6           HG2      GLN   6  -5.378  -6.000  -7.153
   38   2HG   GLN   6           HG1      GLN   6  -6.397  -6.773  -8.369
   39   1HE2  GLN   6          HE22      GLN   6  -6.697  -2.669  -8.162
   40   2HE2  GLN   6          HE21      GLN   6  -6.614  -3.562  -6.721
   41    H    GLN   7           HN       GLN   7  -8.748  -6.577  -4.262
   42    HA   GLN   7           HA       GLN   7  -6.862  -7.168  -2.283
   43   1HB   GLN   7           HB2      GLN   7  -8.656  -5.742  -1.675
   44   2HB   GLN   7           HB1      GLN   7  -9.868  -6.916  -2.175
   45   1HG   GLN   7           HG2      GLN   7  -8.210  -8.143  -0.186
   46   2HG   GLN   7           HG1      GLN   7  -8.732  -6.569   0.414
   47   1HE2  GLN   7          HE22      GLN   7 -11.889  -8.881  -0.811
   48   2HE2  GLN   7          HE21      GLN   7 -10.583  -8.611  -1.862
   49    H    ALA   8           HN       ALA   8  -9.308  -9.315  -3.682
   50    HA   ALA   8           HA       ALA   8  -8.882 -11.406  -1.700
   51   1HB   ALA   8           HB2      ALA   8 -10.981 -11.092  -3.104
   52   2HB   ALA   8           HB1      ALA   8 -10.064 -11.740  -4.466
   53   3HB   ALA   8           HB3      ALA   8 -10.352 -12.739  -3.041
   54    H    GLU   9           HN       GLU   9  -8.217 -11.415  -5.225
   55    HA   GLU   9           HA       GLU   9  -6.620 -13.653  -5.395
   56   1HB   GLU   9           HB2      GLU   9  -7.128 -11.468  -7.043
   57   2HB   GLU   9           HB1      GLU   9  -5.375 -11.445  -6.845
   58   1HG   GLU   9           HG2      GLU   9  -5.334 -13.884  -7.429
   59   2HG   GLU   9           HG1      GLU   9  -7.061 -13.786  -7.776
   60    H    ALA  10           HN       ALA  10  -5.245 -10.384  -4.814
   61    HA   ALA  10           HA       ALA  10  -2.624 -11.247  -4.214
   62   1HB   ALA  10           HB1      ALA  10  -4.243  -8.828  -3.645
   63   2HB   ALA  10           HB3      ALA  10  -2.852  -9.083  -2.591
   64   3HB   ALA  10           HB2      ALA  10  -2.627  -8.964  -4.336
   65    H    ARG  11           HN       ARG  11  -5.404 -10.817  -2.015
   66    HA   ARG  11           HA       ARG  11  -4.109 -11.378   0.421
   67   1HB   ARG  11           HB2      ARG  11  -6.394 -10.663   0.481
   68   2HB   ARG  11           HB1      ARG  11  -6.914 -12.017  -0.521
   69   1HG   ARG  11           HG2      ARG  11  -6.319 -13.597   1.258
   70   2HG   ARG  11           HG1      ARG  11  -5.723 -12.272   2.257
   71   1HD   ARG  11           HD2      ARG  11  -7.807 -11.732   2.948
   72   2HD   ARG  11           HD1      ARG  11  -8.443 -11.791   1.304
   73    HE   ARG  11           HE       ARG  11  -8.478 -14.349   1.670
   74   1HH1  ARG  11          HH11      ARG  11  -7.715 -15.131   4.140
   75   2HH1  ARG  11          HH12      ARG  11  -9.014 -14.798   5.236
   76   1HH2  ARG  11          HH21      ARG  11 -10.596 -12.572   3.100
   77   2HH2  ARG  11          HH22      ARG  11 -10.648 -13.352   4.646
   78    H    ALA  12           HN       ALA  12  -5.143 -13.579  -2.131
   79    HA   ALA  12           HA       ALA  12  -5.123 -16.050  -0.869
   80   1HB   ALA  12           HB2      ALA  12  -5.061 -15.216  -3.490
   81   2HB   ALA  12           HB1      ALA  12  -3.505 -16.030  -3.331
   82   3HB   ALA  12           HB3      ALA  12  -4.997 -16.901  -2.972
   83    H    PHE  13           HN       PHE  13  -2.225 -14.346  -2.115
   84    HA   PHE  13           HA       PHE  13  -0.418 -16.275  -0.900
   85   1HB   PHE  13           HB2      PHE  13   0.451 -13.512  -1.686
   86   2HB   PHE  13           HB1      PHE  13   1.299 -15.046  -1.885
   87    HD1  PHE  13           HD1      PHE  13  -0.372 -16.822  -3.266
   88    HD2  PHE  13           HD2      PHE  13  -0.158 -12.555  -3.717
   89    HE1  PHE  13           HE1      PHE  13  -1.270 -17.021  -5.569
   90    HE2  PHE  13           HE2      PHE  13  -1.055 -12.754  -6.021
   91    HZ   PHE  13           HZ       PHE  13  -1.611 -14.987  -6.947
   92    H    LEU  14           HN       LEU  14  -1.654 -13.066  -0.028
   93    HA   LEU  14           HA       LEU  14   0.062 -12.863   2.323
   94   1HB   LEU  14           HB2      LEU  14  -2.467 -11.304   1.726
   95   2HB   LEU  14           HB1      LEU  14  -1.155 -10.837   2.808
   96    HG   LEU  14           HG       LEU  14  -0.412 -11.434  -0.011
   97   1HD1  LEU  14          HD11      LEU  14  -2.558  -9.680   0.542
   98   2HD1  LEU  14          HD13      LEU  14  -1.156  -8.655   0.230
   99   3HD1  LEU  14          HD12      LEU  14  -1.671  -9.836  -0.974
  100   1HD2  LEU  14          HD22      LEU  14   0.581  -9.971   2.317
  101   2HD2  LEU  14          HD21      LEU  14   1.465 -10.573   0.915
  102   3HD2  LEU  14          HD23      LEU  14   0.661  -9.006   0.843
  103    H    SER  15           HN       SER  15  -0.514 -14.989   3.256
  104    HA   SER  15           HA       SER  15  -3.061 -15.853   4.019
  105   1HB   SER  15           HB2      SER  15  -1.854 -16.904   6.011
  106   2HB   SER  15           HB1      SER  15  -1.206 -17.303   4.423
  107    HG   SER  15           HG       SER  15  -0.035 -16.018   6.486
  108    H    GLU  16           HN       GLU  16  -3.922 -15.825   6.362
  109    HA   GLU  16           HA       GLU  16  -4.442 -13.093   7.111
  110   1HB   GLU  16           HB2      GLU  16  -5.759 -15.391   7.553
  111   2HB   GLU  16           HB1      GLU  16  -4.894 -15.282   9.086
  112   1HG   GLU  16           HG2      GLU  16  -5.759 -12.721   8.845
  113   2HG   GLU  16           HG1      GLU  16  -7.065 -13.571   8.017
  114    H    GLU  17           HN       GLU  17  -1.776 -15.075   7.676
  115    HA   GLU  17           HA       GLU  17  -1.131 -13.910  10.313
  116   1HB   GLU  17           HB2      GLU  17   0.282 -15.895   8.514
  117   2HB   GLU  17           HB1      GLU  17   0.992 -15.286  10.010
  118   1HG   GLU  17           HG2      GLU  17  -0.618 -16.322  11.352
  119   2HG   GLU  17           HG1      GLU  17  -1.788 -16.429  10.037
  120    H    MET  18           HN       MET  18  -0.185 -13.610   6.927
  121    HA   MET  18           HA       MET  18   2.119 -11.930   7.443
  122   1HB   MET  18           HB2      MET  18   0.451 -12.117   4.917
  123   2HB   MET  18           HB1      MET  18   2.105 -11.519   5.047
  124   1HG   MET  18           HG2      MET  18   1.263 -14.337   5.782
  125   2HG   MET  18           HG1      MET  18   1.957 -13.890   4.223
  126   1HE   MET  18           HE2      MET  18   3.999 -12.298   4.127
  127   2HE   MET  18           HE1      MET  18   5.498 -12.921   4.810
  128   3HE   MET  18           HE3      MET  18   4.499 -13.950   3.775
  129    H    ILE  19           HN       ILE  19  -1.301 -11.306   6.699
  130    HA   ILE  19           HA       ILE  19  -0.958  -8.427   6.540
  131    HB   ILE  19           HB       ILE  19  -3.515  -9.920   7.160
  132   1HG1  ILE  19          HG12      ILE  19  -2.733  -9.164   4.371
  133   2HG1  ILE  19          HG11      ILE  19  -2.041 -10.633   5.063
  134   1HG2  ILE  19          HG21      ILE  19  -2.797  -7.166   6.639
  135   2HG2  ILE  19          HG23      ILE  19  -3.908  -7.754   5.403
  136   3HG2  ILE  19          HG22      ILE  19  -4.360  -7.835   7.106
  137   1HD1  ILE  19          HD13      ILE  19  -4.585 -11.024   5.792
  138   2HD1  ILE  19          HD12      ILE  19  -4.877 -10.017   4.375
  139   3HD1  ILE  19          HD11      ILE  19  -3.985 -11.528   4.212
  140    H    ALA  20           HN       ALA  20  -2.655 -10.441   8.957
  141    HA   ALA  20           HA       ALA  20  -3.035  -8.512  10.925
  142   1HB   ALA  20           HB3      ALA  20  -2.674 -11.459  10.925
  143   2HB   ALA  20           HB2      ALA  20  -2.465 -10.649  12.479
  144   3HB   ALA  20           HB1      ALA  20  -3.983 -10.485  11.595
  145    H    GLU  21           HN       GLU  21  -0.086 -10.386  10.266
  146    HA   GLU  21           HA       GLU  21   1.371  -9.283  12.520
  147   1HB   GLU  21           HB2      GLU  21   2.175 -10.794  10.033
  148   2HB   GLU  21           HB1      GLU  21   3.380 -10.161  11.155
  149   1HG   GLU  21           HG2      GLU  21   1.144 -12.101  11.816
  150   2HG   GLU  21           HG1      GLU  21   2.870 -12.464  11.763
  151    H    PHE  22           HN       PHE  22   0.955  -8.406   9.130
  152    HA   PHE  22           HA       PHE  22   3.038  -6.383   9.127
  153   1HB   PHE  22           HB2      PHE  22   1.001  -7.400   7.269
  154   2HB   PHE  22           HB1      PHE  22   1.269  -5.663   7.127
  155    HD1  PHE  22           HD2      PHE  22   3.977  -5.112   7.499
  156    HD2  PHE  22           HD1      PHE  22   2.262  -8.653   5.776
  157    HE1  PHE  22           HE2      PHE  22   6.088  -5.536   6.268
  158    HE2  PHE  22           HE1      PHE  22   4.372  -9.076   4.545
  159    HZ   PHE  22           HZ       PHE  22   6.286  -7.517   4.790
  160    H    LYS  23           HN       LYS  23   0.061  -6.518  10.657
  161    HA   LYS  23           HA       LYS  23  -1.010  -3.917  10.244
  162   1HB   LYS  23           HB2      LYS  23  -2.296  -4.286  12.212
  163   2HB   LYS  23           HB1      LYS  23  -2.058  -5.888  11.516
  164   1HG   LYS  23           HG2      LYS  23  -0.201  -6.313  13.058
  165   2HG   LYS  23           HG1      LYS  23  -0.354  -4.686  13.720
  166   1HD   LYS  23           HD2      LYS  23  -2.614  -5.191  14.518
  167   2HD   LYS  23           HD1      LYS  23  -2.528  -6.800  13.800
  168   1HE   LYS  23           HE2      LYS  23  -0.206  -6.532  15.387
  169   2HE   LYS  23           HE1      LYS  23  -1.537  -5.909  16.362
  170   1HZ   LYS  23           HZ2      LYS  23  -1.885  -8.424  14.883
  171   2HZ   LYS  23           HZ1      LYS  23  -1.015  -8.434  16.343
  172   3HZ   LYS  23           HZ3      LYS  23  -2.628  -7.908  16.322
  173    H    ALA  24           HN       ALA  24   1.466  -5.076  12.516
  174    HA   ALA  24           HA       ALA  24   1.786  -2.674  13.997
  175   1HB   ALA  24           HB2      ALA  24   2.842  -4.980  14.424
  176   2HB   ALA  24           HB1      ALA  24   4.073  -4.503  13.255
  177   3HB   ALA  24           HB3      ALA  24   3.857  -3.572  14.737
  178    H    ALA  25           HN       ALA  25   2.786  -3.511  10.761
  179    HA   ALA  25           HA       ALA  25   4.729  -1.326  10.565
  180   1HB   ALA  25           HB3      ALA  25   3.510  -3.205   8.528
  181   2HB   ALA  25           HB2      ALA  25   4.664  -1.942   8.099
  182   3HB   ALA  25           HB1      ALA  25   5.146  -3.246   9.185
  183    H    PHE  26           HN       PHE  26   1.560  -1.989   9.013
  184    HA   PHE  26           HA       PHE  26   1.166   0.396   7.665
  185   1HB   PHE  26           HB2      PHE  26  -0.489  -1.446   7.698
  186   2HB   PHE  26           HB1      PHE  26  -0.914  -1.026   9.357
  187    HD1  PHE  26           HD1      PHE  26  -1.085   0.031   5.830
  188    HD2  PHE  26           HD2      PHE  26  -2.167   1.001   9.871
  189    HE1  PHE  26           HE1      PHE  26  -2.666   1.750   4.994
  190    HE2  PHE  26           HE2      PHE  26  -3.749   2.718   9.036
  191    HZ   PHE  26           HZ       PHE  26  -3.999   3.092   6.598
  192    H    ASP  27           HN       ASP  27   0.185  -0.136  11.073
  193    HA   ASP  27           HA       ASP  27  -0.579   2.499  11.666
  194   1HB   ASP  27           HB2      ASP  27   0.003   0.118  13.139
  195   2HB   ASP  27           HB1      ASP  27   0.816   1.465  13.935
  196    H    MET  28           HN       MET  28   2.674   1.044  11.920
  197    HA   MET  28           HA       MET  28   4.119   3.159  12.987
  198   1HB   MET  28           HB2      MET  28   5.041   0.929  12.218
  199   2HB   MET  28           HB1      MET  28   5.050   1.575  10.577
  200   1HG   MET  28           HG2      MET  28   7.258   1.876  11.592
  201   2HG   MET  28           HG1      MET  28   6.495   3.447  11.352
  202   1HE   MET  28           HE3      MET  28   8.842   3.085  12.878
  203   2HE   MET  28           HE2      MET  28   8.183   4.634  13.398
  204   3HE   MET  28           HE1      MET  28   8.719   3.464  14.601
  205    H    PHE  29           HN       PHE  29   3.005   2.813   9.626
  206    HA   PHE  29           HA       PHE  29   4.280   5.155   8.605
  207   1HB   PHE  29           HB2      PHE  29   1.663   3.872   7.758
  208   2HB   PHE  29           HB1      PHE  29   2.579   5.044   6.809
  209    HD1  PHE  29           HD1      PHE  29   5.364   4.147   7.386
  210    HD2  PHE  29           HD2      PHE  29   1.828   1.890   6.466
  211    HE1  PHE  29           HE1      PHE  29   6.769   2.316   6.480
  212    HE2  PHE  29           HE2      PHE  29   3.233   0.058   5.559
  213    HZ   PHE  29           HZ       PHE  29   5.704   0.271   5.565
  214    H    ASP  30           HN       ASP  30   0.752   4.913   9.104
  215    HA   ASP  30           HA       ASP  30   0.399   7.732   9.366
  216   1HB   ASP  30           HB2      ASP  30  -1.327   5.736   9.010
  217   2HB   ASP  30           HB1      ASP  30  -1.468   5.856  10.763
  218    H    ALA  31           HN       ALA  31   0.272   9.052  11.211
  219    HA   ALA  31           HA       ALA  31   1.275   7.785  13.727
  220   1HB   ALA  31           HB3      ALA  31   2.103  10.155  12.260
  221   2HB   ALA  31           HB2      ALA  31   1.667  10.553  13.921
  222   3HB   ALA  31           HB1      ALA  31   2.905   9.339  13.603
  223    H    ASP  32           HN       ASP  32  -0.540  10.717  12.746
  224    HA   ASP  32           HA       ASP  32  -1.861  11.234  15.135
  225   1HB   ASP  32           HB2      ASP  32  -3.839  11.904  13.516
  226   2HB   ASP  32           HB1      ASP  32  -2.323  12.804  13.482
  227    H    GLY  33           HN       GLY  33  -2.458   8.625  12.870
  228   1HA   GLY  33           HA2      GLY  33  -3.520   6.566  13.631
  229   2HA   GLY  33           HA1      GLY  33  -4.436   7.516  14.802
  230    H    GLY  34           HN       GLY  34  -4.017   8.437  11.427
  231   1HA   GLY  34           HA2      GLY  34  -6.923   8.603  11.112
  232   2HA   GLY  34           HA1      GLY  34  -5.722   9.049   9.900
  233    H    GLY  35           HN       GLY  35  -4.955   6.015  11.079
  234   1HA   GLY  35           HA2      GLY  35  -4.962   3.938   9.964
  235   2HA   GLY  35           HA1      GLY  35  -6.708   4.188   9.944
  236    H    ASP  36           HN       ASP  36  -3.950   5.687   8.217
  237    HA   ASP  36           HA       ASP  36  -4.672   4.629   5.656
  238   1HB   ASP  36           HB2      ASP  36  -6.103   7.036   6.548
  239   2HB   ASP  36           HB1      ASP  36  -5.280   7.246   5.002
  240    H    ILE  37           HN       ILE  37  -3.341   5.636   3.920
  241    HA   ILE  37           HA       ILE  37  -1.029   7.155   5.064
  242    HB   ILE  37           HB       ILE  37  -0.564   5.515   2.636
  243   1HG1  ILE  37          HG12      ILE  37  -0.783   4.180   5.351
  244   2HG1  ILE  37          HG11      ILE  37  -2.040   4.074   4.117
  245   1HG2  ILE  37          HG21      ILE  37   0.870   6.446   5.073
  246   2HG2  ILE  37          HG23      ILE  37   1.406   4.917   4.374
  247   3HG2  ILE  37          HG22      ILE  37   1.418   6.387   3.398
  248   1HD1  ILE  37          HD11      ILE  37   0.849   3.248   3.703
  249   2HD1  ILE  37          HD13      ILE  37  -0.472   2.133   4.052
  250   3HD1  ILE  37          HD12      ILE  37  -0.472   3.055   2.549
  251    H    SER  38           HN       SER  38  -0.341   8.930   3.884
  252    HA   SER  38           HA       SER  38  -2.006   9.638   1.512
  253   1HB   SER  38           HB2      SER  38  -0.149  11.573   2.854
  254   2HB   SER  38           HB1      SER  38  -1.685  11.880   2.047
  255    HG   SER  38           HG       SER  38  -1.583  11.915   4.466
  256    H    THR  39           HN       THR  39  -0.726  10.900  -0.222
  257    HA   THR  39           HA       THR  39   1.269   9.315  -1.357
  258    HB   THR  39           HB       THR  39   1.741  11.096  -2.833
  259    HG1  THR  39           HG1      THR  39   2.363  12.779  -1.698
  260   1HG2  THR  39          HG23      THR  39  -0.922  10.587  -2.051
  261   2HG2  THR  39          HG22      THR  39  -0.806  12.332  -2.276
  262   3HG2  THR  39          HG21      THR  39  -0.367  11.241  -3.590
  263    H    LYS  40           HN       LYS  40   1.523  11.580   1.267
  264    HA   LYS  40           HA       LYS  40   4.272  12.189   1.259
  265   1HB   LYS  40           HB2      LYS  40   2.115  12.108   3.244
  266   2HB   LYS  40           HB1      LYS  40   3.701  11.773   3.939
  267   1HG   LYS  40           HG2      LYS  40   4.208  13.886   2.217
  268   2HG   LYS  40           HG1      LYS  40   2.626  14.286   2.888
  269   1HD   LYS  40           HD2      LYS  40   3.964  15.182   4.543
  270   2HD   LYS  40           HD1      LYS  40   3.817  13.537   5.160
  271   1HE   LYS  40           HE2      LYS  40   6.139  13.936   5.229
  272   2HE   LYS  40           HE1      LYS  40   5.923  13.041   3.724
  273   1HZ   LYS  40           HZ1      LYS  40   5.926  16.002   3.866
  274   2HZ   LYS  40           HZ3      LYS  40   7.322  15.088   3.560
  275   3HZ   LYS  40           HZ2      LYS  40   6.015  15.027   2.477
  276    H    GLU  41           HN       GLU  41   3.190   9.912   3.733
  277    HA   GLU  41           HA       GLU  41   5.598   8.481   3.893
  278   1HB   GLU  41           HB2      GLU  41   2.749   7.803   4.552
  279   2HB   GLU  41           HB1      GLU  41   3.981   6.545   4.661
  280   1HG   GLU  41           HG2      GLU  41   4.442   7.350   6.718
  281   2HG   GLU  41           HG1      GLU  41   5.163   8.740   5.904
  282    H    LEU  42           HN       LEU  42   3.131   8.329   1.477
  283    HA   LEU  42           HA       LEU  42   3.243   5.791   0.411
  284   1HB   LEU  42           HB2      LEU  42   2.089   7.905  -0.513
  285   2HB   LEU  42           HB1      LEU  42   3.603   8.206  -1.365
  286    HG   LEU  42           HG       LEU  42   1.919   6.941  -2.730
  287   1HD1  LEU  42          HD13      LEU  42   4.478   6.750  -2.933
  288   2HD1  LEU  42          HD12      LEU  42   4.308   5.204  -2.101
  289   3HD1  LEU  42          HD11      LEU  42   3.521   5.458  -3.658
  290   1HD2  LEU  42          HD23      LEU  42   1.202   5.650  -0.559
  291   2HD2  LEU  42          HD22      LEU  42   1.179   4.810  -2.109
  292   3HD2  LEU  42          HD21      LEU  42   2.521   4.562  -0.992
  293    H    GLY  43           HN       GLY  43   5.606   8.366  -0.367
  294   1HA   GLY  43           HA2      GLY  43   7.521   6.186  -1.089
  295   2HA   GLY  43           HA1      GLY  43   7.516   7.766  -1.874
  296    H    THR  44           HN       THR  44   6.823   8.499   1.217
  297    HA   THR  44           HA       THR  44   9.541   9.412   1.733
  298    HB   THR  44           HB       THR  44   7.137   9.483   3.581
  299    HG1  THR  44           HG1      THR  44   7.155  11.727   2.696
  300   1HG2  THR  44          HG22      THR  44   9.869  10.698   3.576
  301   2HG2  THR  44          HG21      THR  44   8.533  11.637   4.242
  302   3HG2  THR  44          HG23      THR  44   8.930  10.060   4.925
  303    H    VAL  45           HN       VAL  45   7.837   6.518   2.383
  304    HA   VAL  45           HA       VAL  45   9.087   5.884   4.909
  305    HB   VAL  45           HB       VAL  45   7.114   4.646   4.299
  306   1HG1  VAL  45          HG13      VAL  45   7.972   4.821   1.721
  307   2HG1  VAL  45          HG12      VAL  45   8.379   3.145   2.080
  308   3HG1  VAL  45          HG11      VAL  45   6.717   3.706   2.258
  309   1HG2  VAL  45          HG21      VAL  45   9.605   2.922   4.125
  310   2HG2  VAL  45          HG23      VAL  45   8.752   3.389   5.596
  311   3HG2  VAL  45          HG22      VAL  45   7.983   2.304   4.438
  312    H    MET  46           HN       MET  46   9.810   4.609   1.617
  313    HA   MET  46           HA       MET  46  12.505   3.854   2.577
  314   1HB   MET  46           HB2      MET  46  12.732   2.812   0.325
  315   2HB   MET  46           HB1      MET  46  11.312   2.220   1.188
  316   1HG   MET  46           HG2      MET  46  10.358   4.458  -0.152
  317   2HG   MET  46           HG1      MET  46  11.469   3.733  -1.312
  318   1HE   MET  46           HE3      MET  46   8.549   4.166  -1.778
  319   2HE   MET  46           HE2      MET  46   7.435   2.818  -1.561
  320   3HE   MET  46           HE1      MET  46   7.906   3.794  -0.172
  321    H    ARG  47           HN       ARG  47  10.901   6.133   0.437
  322    HA   ARG  47           HA       ARG  47  13.479   7.198  -0.505
  323   1HB   ARG  47           HB2      ARG  47  10.859   7.154  -1.531
  324   2HB   ARG  47           HB1      ARG  47  11.187   8.843  -1.153
  325   1HG   ARG  47           HG2      ARG  47  12.145   8.786  -3.241
  326   2HG   ARG  47           HG1      ARG  47  13.532   8.215  -2.310
  327   1HD   ARG  47           HD2      ARG  47  13.054   5.928  -2.821
  328   2HD   ARG  47           HD1      ARG  47  11.464   6.335  -3.466
  329    HE   ARG  47           HE       ARG  47  13.647   7.636  -4.899
  330   1HH1  ARG  47          HH21      ARG  47  10.960   6.585  -5.948
  331   2HH1  ARG  47          HH22      ARG  47  11.494   5.281  -6.955
  332   1HH2  ARG  47          HH11      ARG  47  14.680   5.185  -5.587
  333   2HH2  ARG  47          HH12      ARG  47  13.604   4.489  -6.752
  334    H    MET  48           HN       MET  48  12.089   7.379   2.360
  335    HA   MET  48           HA       MET  48  11.547   9.998   3.098
  336   1HB   MET  48           HB2      MET  48  12.053   7.720   4.498
  337   2HB   MET  48           HB1      MET  48  13.522   8.630   4.843
  338   1HG   MET  48           HG2      MET  48  12.378  10.342   5.923
  339   2HG   MET  48           HG1      MET  48  10.875  10.018   5.061
  340   1HE   MET  48           HE3      MET  48  13.551   8.506   7.119
  341   2HE   MET  48           HE2      MET  48  12.796   9.331   8.479
  342   3HE   MET  48           HE1      MET  48  12.777   7.571   8.405
  343    H    LEU  49           HN       LEU  49  14.550   8.635   2.057
  344    HA   LEU  49           HA       LEU  49  16.616  10.156   2.890
  345   1HB   LEU  49           HB2      LEU  49  16.345  10.205  -0.081
  346   2HB   LEU  49           HB1      LEU  49  17.711   9.704   0.913
  347    HG   LEU  49           HG       LEU  49  15.166   8.133   0.408
  348   1HD1  LEU  49          HD11      LEU  49  17.788   8.214  -0.829
  349   2HD1  LEU  49          HD13      LEU  49  17.446   6.615  -0.169
  350   3HD1  LEU  49          HD12      LEU  49  16.340   7.342  -1.335
  351   1HD2  LEU  49          HD23      LEU  49  16.447   8.091   2.771
  352   2HD2  LEU  49          HD22      LEU  49  15.761   6.634   2.054
  353   3HD2  LEU  49          HD21      LEU  49  17.484   6.972   1.886
  354    H    GLY  50           HN       GLY  50  14.116  11.379   0.665
  355   1HA   GLY  50           HA2      GLY  50  13.309  13.641   0.690
  356   2HA   GLY  50           HA1      GLY  50  14.751  14.119   1.582
  357    H    GLN  51           HN       GLN  51  14.531  12.287  -1.478
  358    HA   GLN  51           HA       GLN  51  15.763  14.615  -2.867
  359   1HB   GLN  51           HB2      GLN  51  17.477  13.195  -3.868
  360   2HB   GLN  51           HB1      GLN  51  17.585  13.091  -2.110
  361   1HG   GLN  51           HG2      GLN  51  16.097  11.029  -2.263
  362   2HG   GLN  51           HG1      GLN  51  16.359  11.077  -4.007
  363   1HE2  GLN  51          HE22      GLN  51  19.504  10.089  -1.548
  364   2HE2  GLN  51          HE21      GLN  51  18.175  10.925  -0.902
  365    H    ASN  52           HN       ASN  52  14.453  11.315  -3.277
  366    HA   ASN  52           HA       ASN  52  13.686  11.976  -6.040
  367   1HB   ASN  52           HB2      ASN  52  14.658   9.703  -5.004
  368   2HB   ASN  52           HB1      ASN  52  12.931   9.368  -4.864
  369   1HD2  ASN  52          HD22      ASN  52  14.666   9.545  -8.561
  370   2HD2  ASN  52          HD21      ASN  52  15.541  10.013  -7.183
  371    HA   PRO  53           HA       PRO  53   9.416  11.195  -4.072
  372   1HB   PRO  53           HB2      PRO  53   9.150  11.924  -1.450
  373   2HB   PRO  53           HB1      PRO  53   9.559  10.284  -1.978
  374   1HG   PRO  53           HG2      PRO  53  11.310  12.350  -0.746
  375   2HG   PRO  53           HG1      PRO  53  11.459  10.589  -0.711
  376   1HD   PRO  53           HD2      PRO  53  12.923  12.352  -2.367
  377   2HD   PRO  53           HD1      PRO  53  12.843  10.585  -2.538
  378    H    THR  54           HN       THR  54   7.709  12.744  -3.950
  379    HA   THR  54           HA       THR  54   8.267  15.517  -3.195
  380    HB   THR  54           HB       THR  54   7.390  14.989  -6.034
  381    HG1  THR  54           HG1      THR  54   9.568  15.416  -6.594
  382   1HG2  THR  54          HG21      THR  54   8.444  17.367  -4.499
  383   2HG2  THR  54          HG23      THR  54   8.336  17.343  -6.260
  384   3HG2  THR  54          HG22      THR  54   6.874  17.194  -5.285
  385    H    LYS  55           HN       LYS  55   6.208  16.796  -3.310
  386    HA   LYS  55           HA       LYS  55   3.992  15.314  -2.328
  387   1HB   LYS  55           HB2      LYS  55   4.289  17.745  -1.946
  388   2HB   LYS  55           HB1      LYS  55   3.969  18.040  -3.656
  389   1HG   LYS  55           HG2      LYS  55   1.965  18.335  -2.124
  390   2HG   LYS  55           HG1      LYS  55   1.724  17.216  -3.465
  391   1HD   LYS  55           HD2      LYS  55   1.743  15.348  -2.095
  392   2HD   LYS  55           HD1      LYS  55   2.750  16.125  -0.875
  393   1HE   LYS  55           HE2      LYS  55  -0.137  16.853  -1.442
  394   2HE   LYS  55           HE1      LYS  55   0.397  15.826  -0.111
  395   1HZ   LYS  55           HZ2      LYS  55   1.954  18.124  -0.047
  396   2HZ   LYS  55           HZ1      LYS  55   0.349  18.638  -0.255
  397   3HZ   LYS  55           HZ3      LYS  55   0.758  17.651   1.062
  398    H    GLU  56           HN       GLU  56   4.729  16.507  -5.586
  399    HA   GLU  56           HA       GLU  56   2.239  15.296  -6.611
  400   1HB   GLU  56           HB2      GLU  56   2.713  16.417  -8.664
  401   2HB   GLU  56           HB1      GLU  56   3.163  17.553  -7.394
  402   1HG   GLU  56           HG2      GLU  56   5.234  17.648  -8.264
  403   2HG   GLU  56           HG1      GLU  56   5.446  15.945  -7.857
  404    H    GLU  57           HN       GLU  57   5.613  14.574  -6.337
  405    HA   GLU  57           HA       GLU  57   5.729  12.657  -8.507
  406   1HB   GLU  57           HB2      GLU  57   7.724  13.802  -7.431
  407   2HB   GLU  57           HB1      GLU  57   7.498  12.725  -6.051
  408   1HG   GLU  57           HG2      GLU  57   8.989  11.464  -7.292
  409   2HG   GLU  57           HG1      GLU  57   7.468  10.867  -7.954
  410    H    LEU  58           HN       LEU  58   4.684  12.545  -5.172
  411    HA   LEU  58           HA       LEU  58   4.682   9.596  -5.141
  412   1HB   LEU  58           HB2      LEU  58   4.134  11.776  -3.166
  413   2HB   LEU  58           HB1      LEU  58   3.375  10.208  -2.894
  414    HG   LEU  58           HG       LEU  58   5.428   9.106  -2.647
  415   1HD1  LEU  58          HD12      LEU  58   6.507  11.379  -4.292
  416   2HD1  LEU  58          HD11      LEU  58   7.603  10.441  -3.279
  417   3HD1  LEU  58          HD13      LEU  58   6.677   9.643  -4.549
  418   1HD2  LEU  58          HD21      LEU  58   5.215  11.740  -1.383
  419   2HD2  LEU  58          HD23      LEU  58   5.665  10.191  -0.672
  420   3HD2  LEU  58          HD22      LEU  58   6.881  11.171  -1.488
  421    H    ASP  59           HN       ASP  59   2.665  12.097  -6.218
  422    HA   ASP  59           HA       ASP  59   0.106  10.839  -5.655
  423   1HB   ASP  59           HB2      ASP  59   0.990  13.323  -6.679
  424   2HB   ASP  59           HB1      ASP  59   0.019  12.581  -7.951
  425    H    ALA  60           HN       ALA  60   2.173  11.096  -8.565
  426    HA   ALA  60           HA       ALA  60   0.641   9.761 -10.443
  427   1HB   ALA  60           HB2      ALA  60   3.480  10.171  -9.998
  428   2HB   ALA  60           HB1      ALA  60   3.182   8.589 -10.719
  429   3HB   ALA  60           HB3      ALA  60   2.602  10.048 -11.523
  430    H    ILE  61           HN       ILE  61   2.511   8.290  -7.805
  431    HA   ILE  61           HA       ILE  61   1.637   5.585  -8.564
  432    HB   ILE  61           HB       ILE  61   2.847   6.171  -5.893
  433   1HG1  ILE  61          HG12      ILE  61   5.055   5.921  -7.529
  434   2HG1  ILE  61          HG11      ILE  61   4.003   6.983  -8.469
  435   1HG2  ILE  61          HG22      ILE  61   2.262   3.875  -7.039
  436   2HG2  ILE  61          HG21      ILE  61   3.779   4.144  -7.896
  437   3HG2  ILE  61          HG23      ILE  61   3.766   4.048  -6.135
  438   1HD1  ILE  61          HD13      ILE  61   4.195   7.573  -5.568
  439   2HD1  ILE  61          HD12      ILE  61   5.643   7.893  -6.521
  440   3HD1  ILE  61          HD11      ILE  61   4.120   8.679  -6.938
  441    H    ILE  62           HN       ILE  62   0.795   8.090  -6.236
  442    HA   ILE  62           HA       ILE  62  -0.942   6.388  -4.670
  443    HB   ILE  62           HB       ILE  62   0.039   9.069  -4.528
  444   1HG1  ILE  62          HG12      ILE  62  -0.094   7.170  -2.807
  445   2HG1  ILE  62          HG11      ILE  62  -0.419   8.799  -2.219
  446   1HG2  ILE  62          HG22      ILE  62  -2.129   9.799  -5.465
  447   2HG2  ILE  62          HG21      ILE  62  -2.974   8.890  -4.212
  448   3HG2  ILE  62          HG23      ILE  62  -1.975  10.274  -3.774
  449   1HD1  ILE  62          HD12      ILE  62  -2.870   8.359  -2.536
  450   2HD1  ILE  62          HD11      ILE  62  -2.471   6.690  -2.943
  451   3HD1  ILE  62          HD13      ILE  62  -2.118   7.315  -1.332
  452    H    GLU  63           HN       GLU  63  -1.210   7.535  -7.790
  453    HA   GLU  63           HA       GLU  63  -4.109   8.046  -7.717
  454   1HB   GLU  63           HB2      GLU  63  -2.031   8.000  -9.909
  455   2HB   GLU  63           HB1      GLU  63  -3.753   8.139 -10.266
  456   1HG   GLU  63           HG2      GLU  63  -3.915  10.160  -8.912
  457   2HG   GLU  63           HG1      GLU  63  -2.232   9.995  -8.413
  458    H    GLU  64           HN       GLU  64  -1.960   5.656  -9.297
  459    HA   GLU  64           HA       GLU  64  -3.912   3.962 -10.371
  460   1HB   GLU  64           HB2      GLU  64  -2.257   2.199 -10.289
  461   2HB   GLU  64           HB1      GLU  64  -1.410   3.712 -10.610
  462   1HG   GLU  64           HG2      GLU  64  -1.161   3.857  -8.022
  463   2HG   GLU  64           HG1      GLU  64  -1.531   2.132  -8.049
  464    H    VAL  65           HN       VAL  65  -3.117   4.522  -7.043
  465    HA   VAL  65           HA       VAL  65  -4.927   2.275  -6.255
  466    HB   VAL  65           HB       VAL  65  -2.494   2.201  -5.465
  467   1HG1  VAL  65          HG12      VAL  65  -3.500   4.506  -3.765
  468   2HG1  VAL  65          HG11      VAL  65  -1.964   3.666  -3.539
  469   3HG1  VAL  65          HG13      VAL  65  -2.248   4.606  -5.004
  470   1HG2  VAL  65          HG23      VAL  65  -4.845   2.220  -3.562
  471   2HG2  VAL  65          HG22      VAL  65  -4.072   0.829  -4.322
  472   3HG2  VAL  65          HG21      VAL  65  -3.233   1.720  -3.051
  473    H    ASP  66           HN       ASP  66  -4.412   5.671  -6.243
  474    HA   ASP  66           HA       ASP  66  -5.619   6.754  -4.054
  475   1HB   ASP  66           HB2      ASP  66  -5.086   8.310  -5.728
  476   2HB   ASP  66           HB1      ASP  66  -5.958   7.419  -6.972
  477    H    GLU  67           HN       GLU  67  -7.339   4.943  -6.590
  478    HA   GLU  67           HA       GLU  67  -9.986   5.510  -5.772
  479   1HB   GLU  67           HB2      GLU  67  -8.755   3.003  -6.945
  480   2HB   GLU  67           HB1      GLU  67 -10.490   3.172  -6.668
  481   1HG   GLU  67           HG2      GLU  67 -10.742   4.763  -8.322
  482   2HG   GLU  67           HG1      GLU  67  -9.100   5.375  -8.129
  483    H    ASP  68           HN       ASP  68 -11.232   4.798  -4.063
  484    HA   ASP  68           HA       ASP  68 -10.820   2.443  -2.546
  485   1HB   ASP  68           HB2      ASP  68  -8.743   4.096  -2.027
  486   2HB   ASP  68           HB1      ASP  68  -9.897   4.689  -0.833
  487    H    GLY  69           HN       GLY  69 -11.373   5.837  -1.603
  488   1HA   GLY  69           HA2      GLY  69 -14.232   5.614  -1.501
  489   2HA   GLY  69           HA1      GLY  69 -13.556   5.387   0.113
  490    H    SER  70           HN       SER  70 -11.286   7.164  -0.308
  491    HA   SER  70           HA       SER  70 -12.718   9.787  -0.463
  492   1HB   SER  70           HB2      SER  70 -11.479   8.684   1.777
  493   2HB   SER  70           HB1      SER  70 -10.279   9.808   1.143
  494    HG   SER  70           HG       SER  70 -11.625  10.976   2.452
  495    H    GLY  71           HN       GLY  71  -9.784   7.958  -1.149
  496   1HA   GLY  71           HA2      GLY  71  -8.979   8.882  -3.511
  497   2HA   GLY  71           HA1      GLY  71  -8.599  10.299  -2.533
  498    H    THR  72           HN       THR  72  -7.967   8.461  -0.202
  499    HA   THR  72           HA       THR  72  -5.175   7.885  -1.046
  500    HB   THR  72           HB       THR  72  -4.553   8.213   1.144
  501    HG1  THR  72           HG1      THR  72  -7.097   7.167   1.830
  502   1HG2  THR  72          HG23      THR  72  -6.389  10.001   0.264
  503   2HG2  THR  72          HG22      THR  72  -7.146   9.471   1.767
  504   3HG2  THR  72          HG21      THR  72  -5.521  10.158   1.790
  505    H    ILE  73           HN       ILE  73  -4.807   5.956   1.149
  506    HA   ILE  73           HA       ILE  73  -6.566   3.748   0.292
  507    HB   ILE  73           HB       ILE  73  -3.671   3.080   0.477
  508   1HG1  ILE  73          HG12      ILE  73  -3.569   3.644  -2.061
  509   2HG1  ILE  73          HG11      ILE  73  -4.906   4.743  -1.717
  510   1HG2  ILE  73          HG23      ILE  73  -5.630   1.498   0.008
  511   2HG2  ILE  73          HG22      ILE  73  -5.731   2.269  -1.576
  512   3HG2  ILE  73          HG21      ILE  73  -4.264   1.410  -1.104
  513   1HD1  ILE  73          HD13      ILE  73  -2.773   4.989   0.255
  514   2HD1  ILE  73          HD12      ILE  73  -2.192   5.302  -1.382
  515   3HD1  ILE  73          HD11      ILE  73  -3.535   6.239  -0.728
  516    H    ASP  74           HN       ASP  74  -6.730   2.060   1.840
  517    HA   ASP  74           HA       ASP  74  -5.862   2.853   4.559
  518   1HB   ASP  74           HB2      ASP  74  -8.174   1.640   3.524
  519   2HB   ASP  74           HB1      ASP  74  -7.342   0.357   4.400
  520    H    PHE  75           HN       PHE  75  -5.892   0.080   5.544
  521    HA   PHE  75           HA       PHE  75  -3.140  -0.615   4.725
  522   1HB   PHE  75           HB2      PHE  75  -2.909  -1.518   6.804
  523   2HB   PHE  75           HB1      PHE  75  -4.365  -0.603   7.174
  524    HD1  PHE  75           HD2      PHE  75  -6.592  -1.953   6.163
  525    HD2  PHE  75           HD1      PHE  75  -2.940  -3.695   7.609
  526    HE1  PHE  75           HE2      PHE  75  -7.787  -4.074   6.634
  527    HE2  PHE  75           HE1      PHE  75  -4.138  -5.817   8.077
  528    HZ   PHE  75           HZ       PHE  75  -6.562  -6.005   7.592
  529    H    GLU  76           HN       GLU  76  -6.303  -1.505   3.902
  530    HA   GLU  76           HA       GLU  76  -5.741  -4.315   3.327
  531   1HB   GLU  76           HB2      GLU  76  -8.051  -2.546   3.300
  532   2HB   GLU  76           HB1      GLU  76  -7.995  -3.555   1.853
  533   1HG   GLU  76           HG2      GLU  76  -8.311  -5.493   3.028
  534   2HG   GLU  76           HG1      GLU  76  -7.385  -4.924   4.416
  535    H    GLU  77           HN       GLU  77  -6.234  -1.383   1.337
  536    HA   GLU  77           HA       GLU  77  -5.515  -2.797  -1.109
  537   1HB   GLU  77           HB2      GLU  77  -6.455  -0.122  -0.356
  538   2HB   GLU  77           HB1      GLU  77  -5.281  -0.104  -1.674
  539   1HG   GLU  77           HG2      GLU  77  -7.432  -2.161  -1.805
  540   2HG   GLU  77           HG1      GLU  77  -7.903  -0.488  -2.107
  541    H    PHE  78           HN       PHE  78  -3.818  -0.885   1.296
  542    HA   PHE  78           HA       PHE  78  -1.505  -0.233  -0.243
  543   1HB   PHE  78           HB2      PHE  78  -2.147   0.592   2.112
  544   2HB   PHE  78           HB1      PHE  78  -1.424  -0.906   2.701
  545    HD1  PHE  78           HD2      PHE  78  -0.634   1.839   0.260
  546    HD2  PHE  78           HD1      PHE  78   0.830  -0.839   3.282
  547    HE1  PHE  78           HE2      PHE  78   1.623   2.848   0.060
  548    HE2  PHE  78           HE1      PHE  78   3.087   0.170   3.083
  549    HZ   PHE  78           HZ       PHE  78   3.483   2.013   1.471
  550    H    LEU  79           HN       LEU  79  -2.671  -3.263   0.772
  551    HA   LEU  79           HA       LEU  79  -0.042  -4.551   0.973
  552   1HB   LEU  79           HB2      LEU  79  -2.842  -5.298   1.419
  553   2HB   LEU  79           HB1      LEU  79  -1.914  -6.567   0.620
  554    HG   LEU  79           HG       LEU  79  -0.197  -5.603   2.604
  555   1HD1  LEU  79          HD11      LEU  79  -3.074  -5.663   3.515
  556   2HD1  LEU  79          HD13      LEU  79  -1.754  -5.994   4.635
  557   3HD1  LEU  79          HD12      LEU  79  -1.851  -4.430   3.825
  558   1HD2  LEU  79          HD23      LEU  79  -1.792  -8.024   2.023
  559   2HD2  LEU  79          HD22      LEU  79  -0.083  -7.875   2.432
  560   3HD2  LEU  79          HD21      LEU  79  -1.301  -7.853   3.708
  561    H    VAL  80           HN       VAL  80  -2.581  -4.137  -1.446
  562    HA   VAL  80           HA       VAL  80  -1.780  -6.063  -3.345
  563    HB   VAL  80           HB       VAL  80  -2.807  -3.256  -3.872
  564   1HG1  VAL  80          HG12      VAL  80  -1.780  -4.556  -5.814
  565   2HG1  VAL  80          HG11      VAL  80  -3.083  -5.726  -5.598
  566   3HG1  VAL  80          HG13      VAL  80  -3.457  -4.057  -6.030
  567   1HG2  VAL  80          HG22      VAL  80  -4.079  -5.810  -3.000
  568   2HG2  VAL  80          HG21      VAL  80  -4.534  -4.146  -2.633
  569   3HG2  VAL  80          HG23      VAL  80  -4.947  -4.848  -4.198
  570    H    MET  81           HN       MET  81  -0.642  -2.700  -2.974
  571    HA   MET  81           HA       MET  81   1.173  -2.631  -5.123
  572   1HB   MET  81           HB2      MET  81   0.549  -0.715  -3.600
  573   2HB   MET  81           HB1      MET  81   1.648  -1.394  -2.400
  574   1HG   MET  81           HG2      MET  81   3.344  -1.376  -4.448
  575   2HG   MET  81           HG1      MET  81   2.270  -0.102  -5.026
  576   1HE   MET  81           HE3      MET  81   1.049   1.000  -2.906
  577   2HE   MET  81           HE2      MET  81   1.706   0.606  -1.320
  578   3HE   MET  81           HE1      MET  81   1.988   2.203  -2.010
  579    H    MET  82           HN       MET  82   1.720  -3.770  -1.785
  580    HA   MET  82           HA       MET  82   4.476  -4.459  -2.180
  581   1HB   MET  82           HB2      MET  82   2.629  -4.527  -0.057
  582   2HB   MET  82           HB1      MET  82   3.152  -6.196  -0.277
  583   1HG   MET  82           HG2      MET  82   5.540  -4.958  -0.488
  584   2HG   MET  82           HG1      MET  82   4.717  -3.818   0.578
  585   1HE   MET  82           HE2      MET  82   5.833  -3.817   2.276
  586   2HE   MET  82           HE1      MET  82   5.562  -4.862   3.669
  587   3HE   MET  82           HE3      MET  82   6.979  -5.106   2.639
  588    H    VAL  83           HN       VAL  83   1.477  -6.073  -2.958
  589    HA   VAL  83           HA       VAL  83   2.674  -8.701  -3.343
  590    HB   VAL  83           HB       VAL  83   0.030  -7.487  -4.181
  591   1HG1  VAL  83          HG13      VAL  83   1.182 -10.241  -4.671
  592   2HG1  VAL  83          HG12      VAL  83  -0.555  -9.933  -4.672
  593   3HG1  VAL  83          HG11      VAL  83   0.483  -9.132  -5.850
  594   1HG2  VAL  83          HG21      VAL  83   0.593  -8.065  -1.734
  595   2HG2  VAL  83          HG23      VAL  83  -0.880  -8.770  -2.396
  596   3HG2  VAL  83          HG22      VAL  83   0.579  -9.751  -2.252
  597    H    ARG  84           HN       ARG  84   2.288  -5.821  -5.272
  598    HA   ARG  84           HA       ARG  84   2.613  -7.093  -7.850
  599   1HB   ARG  84           HB2      ARG  84   3.180  -4.239  -6.990
  600   2HB   ARG  84           HB1      ARG  84   3.096  -4.803  -8.659
  601   1HG   ARG  84           HG2      ARG  84   0.773  -5.345  -8.456
  602   2HG   ARG  84           HG1      ARG  84   0.812  -5.145  -6.703
  603   1HD   ARG  84           HD2      ARG  84   1.381  -2.729  -7.044
  604   2HD   ARG  84           HD1      ARG  84   1.173  -2.964  -8.780
  605    HE   ARG  84           HE       ARG  84  -1.007  -3.085  -6.758
  606   1HH1  ARG  84          HH21      ARG  84  -1.297  -4.922  -9.183
  607   2HH1  ARG  84          HH22      ARG  84  -2.226  -3.920 -10.247
  608   1HH2  ARG  84          HH11      ARG  84  -1.591  -1.003  -8.482
  609   2HH2  ARG  84          HH12      ARG  84  -2.390  -1.700  -9.852
  610    H    GLN  85           HN       GLN  85   4.846  -5.692  -5.481
  611    HA   GLN  85           HA       GLN  85   7.157  -6.175  -7.241
  612   1HB   GLN  85           HB2      GLN  85   6.981  -4.214  -5.631
  613   2HB   GLN  85           HB1      GLN  85   7.187  -5.377  -4.321
  614   1HG   GLN  85           HG2      GLN  85   9.397  -5.731  -4.801
  615   2HG   GLN  85           HG1      GLN  85   9.152  -5.557  -6.540
  616   1HE2  GLN  85          HE22      GLN  85  10.602  -2.352  -6.342
  617   2HE2  GLN  85          HE21      GLN  85  10.604  -3.882  -7.078
  618    H    MET  86           HN       MET  86   5.882  -8.568  -6.874
  619    HA   MET  86           HA       MET  86   6.829 -10.043  -4.579
  620   1HB   MET  86           HB2      MET  86   5.491 -10.697  -7.163
  621   2HB   MET  86           HB1      MET  86   6.337 -12.007  -6.337
  622   1HG   MET  86           HG2      MET  86   4.632 -10.297  -4.616
  623   2HG   MET  86           HG1      MET  86   3.772 -11.306  -5.780
  624   1HE   MET  86           HE2      MET  86   5.916 -10.875  -2.850
  625   2HE   MET  86           HE1      MET  86   4.365 -11.404  -2.204
  626   3HE   MET  86           HE3      MET  86   5.815 -12.385  -1.949
  627    H    LYS  87           HN       LYS  87   8.615 -11.454  -4.439
  628    HA   LYS  87           HA       LYS  87  10.864 -10.766  -6.182
  629   1HB   LYS  87           HB2      LYS  87  10.503 -12.490  -3.740
  630   2HB   LYS  87           HB1      LYS  87  11.980 -12.605  -4.697
  631   1HG   LYS  87           HG2      LYS  87  12.087 -10.034  -4.507
  632   2HG   LYS  87           HG1      LYS  87  10.893 -10.210  -3.219
  633   1HD   LYS  87           HD2      LYS  87  13.226 -10.182  -2.346
  634   2HD   LYS  87           HD1      LYS  87  12.391 -11.694  -1.984
  635   1HE   LYS  87           HE2      LYS  87  13.564 -12.880  -3.656
  636   2HE   LYS  87           HE1      LYS  87  14.074 -11.400  -4.470
  637   1HZ   LYS  87           HZ2      LYS  87  15.198 -10.964  -2.161
  638   2HZ   LYS  87           HZ1      LYS  87  15.144 -12.659  -2.053
  639   3HZ   LYS  87           HZ3      LYS  87  15.964 -11.918  -3.341
  640    H    GLU  88           HN       GLU  88   8.589 -13.411  -5.831
  641    HA   GLU  88           HA       GLU  88  10.095 -15.310  -7.416
  642   1HB   GLU  88           HB2      GLU  88   8.397 -16.187  -5.965
  643   2HB   GLU  88           HB1      GLU  88   7.170 -15.125  -6.659
  644   1HG   GLU  88           HG2      GLU  88   7.121 -16.322  -8.700
  645   2HG   GLU  88           HG1      GLU  88   8.651 -17.133  -8.359
  646    H    ASP  89           HN       ASP  89   8.644 -12.423  -8.248
  647    HA   ASP  89           HA       ASP  89   8.145 -11.467 -10.328
  648   1HB   ASP  89           HB2      ASP  89   9.384 -14.015 -11.412
  649   2HB   ASP  89           HB1      ASP  89   9.097 -12.532 -12.323
  650    H    ALA  90           HN       ALA  90   6.110 -12.946  -8.989
  651    HA   ALA  90           HA       ALA  90   4.677 -14.202 -11.295
  652   1HB   ALA  90           HB1      ALA  90   4.876 -14.893  -8.428
  653   2HB   ALA  90           HB3      ALA  90   3.244 -14.962  -9.094
  654   3HB   ALA  90           HB2      ALA  90   4.532 -15.928  -9.814
   
  No H/Q in entry =         654
  Start of MODEL   12
    1   1H    ALA   1           HT1      ALA   1 -12.053  -4.995 -13.558
    2   2H    ALA   1           HT3      ALA   1 -12.795  -6.514 -13.692
    3   3H    ALA   1           HT2      ALA   1 -13.748  -5.114 -13.565
    4    HA   ALA   1           HA       ALA   1 -13.877  -5.709 -11.412
    5   1HB   ALA   1           HB1      ALA   1 -12.122  -7.664 -12.238
    6   2HB   ALA   1           HB3      ALA   1 -11.172  -6.798 -11.030
    7   3HB   ALA   1           HB2      ALA   1 -12.734  -7.490 -10.594
    8    H    SER   2           HN       SER   2 -11.570  -5.587  -9.571
    9    HA   SER   2           HA       SER   2  -9.942  -3.312 -10.001
   10   1HB   SER   2           HB2      SER   2 -11.741  -1.826 -10.099
   11   2HB   SER   2           HB1      SER   2 -12.698  -2.752  -8.945
   12    HG   SER   2           HG       SER   2 -11.114  -0.684  -8.481
   13    H    MET   3           HN       MET   3 -12.031  -4.683  -7.428
   14    HA   MET   3           HA       MET   3  -9.553  -5.068  -5.809
   15   1HB   MET   3           HB2      MET   3 -11.484  -3.140  -5.251
   16   2HB   MET   3           HB1      MET   3 -11.919  -4.484  -4.195
   17   1HG   MET   3           HG2      MET   3 -10.132  -4.129  -2.864
   18   2HG   MET   3           HG1      MET   3  -9.038  -4.041  -4.245
   19   1HE   MET   3           HE2      MET   3  -7.740  -2.632  -4.423
   20   2HE   MET   3           HE1      MET   3  -8.029  -0.949  -4.857
   21   3HE   MET   3           HE3      MET   3  -7.576  -1.374  -3.201
   22    H    THR   4           HN       THR   4 -13.061  -5.735  -5.604
   23    HA   THR   4           HA       THR   4 -13.172  -7.992  -4.092
   24    HB   THR   4           HB       THR   4 -15.179  -7.169  -5.120
   25    HG1  THR   4           HG1      THR   4 -16.045  -9.078  -5.487
   26   1HG2  THR   4          HG21      THR   4 -13.823  -6.538  -7.247
   27   2HG2  THR   4          HG23      THR   4 -14.252  -8.156  -7.805
   28   3HG2  THR   4          HG22      THR   4 -15.519  -6.987  -7.434
   29    H    ASP   5           HN       ASP   5 -12.386  -8.100  -7.597
   30    HA   ASP   5           HA       ASP   5 -11.523 -10.908  -7.275
   31   1HB   ASP   5           HB2      ASP   5 -12.777  -9.662  -9.329
   32   2HB   ASP   5           HB1      ASP   5 -11.101  -9.505  -9.857
   33    H    GLN   6           HN       GLN   6 -10.071  -7.944  -8.680
   34    HA   GLN   6           HA       GLN   6  -7.430  -8.910  -8.853
   35   1HB   GLN   6           HB2      GLN   6  -8.754  -6.370  -9.063
   36   2HB   GLN   6           HB1      GLN   6  -7.283  -6.171  -8.109
   37   1HG   GLN   6           HG2      GLN   6  -6.340  -7.772 -10.081
   38   2HG   GLN   6           HG1      GLN   6  -7.597  -6.908 -10.967
   39   1HE2  GLN   6          HE22      GLN   6  -5.873  -3.719  -9.766
   40   2HE2  GLN   6          HE21      GLN   6  -7.328  -4.449  -9.285
   41    H    GLN   7           HN       GLN   7  -8.665  -6.776  -6.242
   42    HA   GLN   7           HA       GLN   7  -6.414  -7.139  -4.547
   43   1HB   GLN   7           HB2      GLN   7  -7.728  -5.340  -3.897
   44   2HB   GLN   7           HB1      GLN   7  -9.235  -6.212  -4.147
   45   1HG   GLN   7           HG2      GLN   7  -7.431  -7.257  -2.021
   46   2HG   GLN   7           HG1      GLN   7  -8.240  -5.723  -1.692
   47   1HE2  GLN   7          HE22      GLN   7 -11.540  -7.407  -2.269
   48   2HE2  GLN   7          HE21      GLN   7 -10.710  -6.126  -3.011
   49    H    ALA   8           HN       ALA   8  -9.340  -9.089  -4.957
   50    HA   ALA   8           HA       ALA   8  -9.210 -10.681  -2.643
   51   1HB   ALA   8           HB2      ALA   8 -10.219 -11.056  -5.402
   52   2HB   ALA   8           HB1      ALA   8  -9.898 -12.539  -4.504
   53   3HB   ALA   8           HB3      ALA   8 -11.024 -11.344  -3.860
   54    H    GLU   9           HN       GLU   9  -7.378 -11.049  -5.682
   55    HA   GLU   9           HA       GLU   9  -6.036 -13.464  -4.924
   56   1HB   GLU   9           HB2      GLU   9  -5.487 -11.284  -6.918
   57   2HB   GLU   9           HB1      GLU   9  -4.265 -12.519  -6.613
   58   1HG   GLU   9           HG2      GLU   9  -6.276 -14.184  -6.920
   59   2HG   GLU   9           HG1      GLU   9  -7.017 -12.830  -7.774
   60    H    ALA  10           HN       ALA  10  -5.303 -10.049  -4.362
   61    HA   ALA  10           HA       ALA  10  -2.649 -10.455  -3.341
   62   1HB   ALA  10           HB1      ALA  10  -4.683  -8.258  -2.879
   63   2HB   ALA  10           HB3      ALA  10  -3.035  -8.200  -2.253
   64   3HB   ALA  10           HB2      ALA  10  -3.316  -8.233  -3.993
   65    H    ARG  11           HN       ARG  11  -5.853 -10.529  -1.835
   66    HA   ARG  11           HA       ARG  11  -4.737 -10.798   0.861
   67   1HB   ARG  11           HB2      ARG  11  -7.261 -10.159  -0.237
   68   2HB   ARG  11           HB1      ARG  11  -7.484 -11.666   0.652
   69   1HG   ARG  11           HG2      ARG  11  -7.142 -10.671   2.665
   70   2HG   ARG  11           HG1      ARG  11  -5.819  -9.678   2.052
   71   1HD   ARG  11           HD2      ARG  11  -7.401  -8.032   2.421
   72   2HD   ARG  11           HD1      ARG  11  -7.797  -8.461   0.756
   73    HE   ARG  11           HE       ARG  11  -9.570  -9.992   1.781
   74   1HH1  ARG  11          HH11      ARG  11  -8.160  -8.534   4.369
   75   2HH1  ARG  11          HH12      ARG  11  -9.582  -7.746   4.967
   76   1HH2  ARG  11          HH21      ARG  11 -11.470  -8.429   2.140
   77   2HH2  ARG  11          HH22      ARG  11 -11.455  -7.684   3.704
   78    H    ALA  12           HN       ALA  12  -5.326 -12.894  -1.768
   79    HA   ALA  12           HA       ALA  12  -6.055 -15.296  -0.414
   80   1HB   ALA  12           HB1      ALA  12  -4.503 -14.800  -2.965
   81   2HB   ALA  12           HB3      ALA  12  -4.932 -16.418  -2.409
   82   3HB   ALA  12           HB2      ALA  12  -6.200 -15.258  -2.806
   83    H    PHE  13           HN       PHE  13  -2.794 -14.419  -1.619
   84    HA   PHE  13           HA       PHE  13  -1.435 -16.439  -0.142
   85   1HB   PHE  13           HB2      PHE  13  -0.406 -15.252  -2.037
   86   2HB   PHE  13           HB1      PHE  13  -0.406 -13.753  -1.107
   87    HD1  PHE  13           HD1      PHE  13   0.494 -17.311  -0.303
   88    HD2  PHE  13           HD2      PHE  13   1.742 -13.203  -0.402
   89    HE1  PHE  13           HE1      PHE  13   2.660 -17.945   0.724
   90    HE2  PHE  13           HE2      PHE  13   3.909 -13.836   0.624
   91    HZ   PHE  13           HZ       PHE  13   4.368 -16.207   1.188
   92    H    LEU  14           HN       LEU  14  -2.437 -13.175   0.744
   93    HA   LEU  14           HA       LEU  14  -0.935 -13.296   3.278
   94   1HB   LEU  14           HB2      LEU  14  -2.946 -11.248   2.293
   95   2HB   LEU  14           HB1      LEU  14  -1.887 -11.072   3.692
   96    HG   LEU  14           HG       LEU  14  -0.902 -11.498   0.858
   97   1HD1  LEU  14          HD12      LEU  14  -2.122  -9.254   1.575
   98   2HD1  LEU  14          HD11      LEU  14  -0.580  -8.932   2.369
   99   3HD1  LEU  14          HD13      LEU  14  -0.636  -9.205   0.627
  100   1HD2  LEU  14          HD23      LEU  14   0.547 -12.249   2.805
  101   2HD2  LEU  14          HD22      LEU  14   1.275 -11.023   1.768
  102   3HD2  LEU  14          HD21      LEU  14   0.587 -10.564   3.326
  103    H    SER  15           HN       SER  15  -2.118 -15.304   3.968
  104    HA   SER  15           HA       SER  15  -4.870 -15.535   4.400
  105   1HB   SER  15           HB2      SER  15  -3.317 -17.365   4.890
  106   2HB   SER  15           HB1      SER  15  -2.619 -16.444   6.220
  107    HG   SER  15           HG       SER  15  -4.199 -17.922   6.949
  108    H    GLU  16           HN       GLU  16  -5.897 -15.437   6.723
  109    HA   GLU  16           HA       GLU  16  -5.982 -12.690   7.520
  110   1HB   GLU  16           HB2      GLU  16  -7.591 -14.843   7.949
  111   2HB   GLU  16           HB1      GLU  16  -6.810 -14.708   9.524
  112   1HG   GLU  16           HG2      GLU  16  -7.430 -12.070   8.820
  113   2HG   GLU  16           HG1      GLU  16  -8.846 -13.006   8.338
  114    H    GLU  17           HN       GLU  17  -3.770 -15.183   8.268
  115    HA   GLU  17           HA       GLU  17  -2.967 -13.993  10.849
  116   1HB   GLU  17           HB2      GLU  17  -2.934 -16.464  10.535
  117   2HB   GLU  17           HB1      GLU  17  -1.715 -16.265   9.274
  118   1HG   GLU  17           HG2      GLU  17  -0.523 -14.853  11.227
  119   2HG   GLU  17           HG1      GLU  17  -1.454 -15.970  12.227
  120    H    MET  18           HN       MET  18  -2.069 -13.894   7.490
  121    HA   MET  18           HA       MET  18   0.612 -12.843   7.967
  122   1HB   MET  18           HB2      MET  18  -0.949 -13.710   5.701
  123   2HB   MET  18           HB1      MET  18  -0.251 -12.124   5.370
  124   1HG   MET  18           HG2      MET  18   1.939 -12.890   5.588
  125   2HG   MET  18           HG1      MET  18   1.468 -14.251   6.607
  126   1HE   MET  18           HE3      MET  18   3.426 -14.146   4.589
  127   2HE   MET  18           HE2      MET  18   3.211 -15.889   4.451
  128   3HE   MET  18           HE1      MET  18   3.143 -14.883   3.006
  129    H    ILE  19           HN       ILE  19  -2.573 -11.482   7.164
  130    HA   ILE  19           HA       ILE  19  -1.593  -8.763   6.930
  131    HB   ILE  19           HB       ILE  19  -4.421  -9.618   7.584
  132   1HG1  ILE  19          HG12      ILE  19  -3.848  -9.134   4.767
  133   2HG1  ILE  19          HG11      ILE  19  -2.907 -10.487   5.396
  134   1HG2  ILE  19          HG21      ILE  19  -3.602  -7.151   7.590
  135   2HG2  ILE  19          HG23      ILE  19  -3.510  -7.334   5.838
  136   3HG2  ILE  19          HG22      ILE  19  -5.054  -7.539   6.666
  137   1HD1  ILE  19          HD12      ILE  19  -5.900 -10.180   5.768
  138   2HD1  ILE  19          HD11      ILE  19  -5.153 -11.171   4.514
  139   3HD1  ILE  19          HD13      ILE  19  -4.917 -11.575   6.215
  140    H    ALA  20           HN       ALA  20  -3.276 -10.575   9.500
  141    HA   ALA  20           HA       ALA  20  -3.560  -8.562  11.411
  142   1HB   ALA  20           HB3      ALA  20  -3.270 -11.490  11.461
  143   2HB   ALA  20           HB2      ALA  20  -2.746 -10.700  12.947
  144   3HB   ALA  20           HB1      ALA  20  -4.388 -10.456  12.350
  145    H    GLU  21           HN       GLU  21  -0.644 -10.431  10.619
  146    HA   GLU  21           HA       GLU  21   0.968  -9.221  12.703
  147   1HB   GLU  21           HB2      GLU  21   1.581 -10.828  10.223
  148   2HB   GLU  21           HB1      GLU  21   2.874 -10.120  11.193
  149   1HG   GLU  21           HG2      GLU  21   0.891 -11.475  12.849
  150   2HG   GLU  21           HG1      GLU  21   1.622 -12.565  11.670
  151    H    PHE  22           HN       PHE  22   0.271  -8.467   9.327
  152    HA   PHE  22           HA       PHE  22   2.326  -6.472   9.016
  153   1HB   PHE  22           HB2      PHE  22  -0.250  -7.098   7.583
  154   2HB   PHE  22           HB1      PHE  22   0.668  -5.648   7.176
  155    HD1  PHE  22           HD2      PHE  22   2.531  -8.517   8.423
  156    HD2  PHE  22           HD1      PHE  22   1.013  -6.616   4.882
  157    HE1  PHE  22           HE2      PHE  22   4.068  -9.878   7.033
  158    HE2  PHE  22           HE1      PHE  22   2.550  -7.978   3.493
  159    HZ   PHE  22           HZ       PHE  22   4.077  -9.610   4.568
  160    H    LYS  23           HN       LYS  23  -0.681  -6.507  10.691
  161    HA   LYS  23           HA       LYS  23  -1.348  -3.723  10.557
  162   1HB   LYS  23           HB2      LYS  23  -2.686  -5.782  11.511
  163   2HB   LYS  23           HB1      LYS  23  -1.874  -5.359  13.019
  164   1HG   LYS  23           HG2      LYS  23  -3.340  -3.688  13.348
  165   2HG   LYS  23           HG1      LYS  23  -2.843  -2.947  11.827
  166   1HD   LYS  23           HD2      LYS  23  -4.751  -3.581  10.815
  167   2HD   LYS  23           HD1      LYS  23  -4.529  -5.253  11.332
  168   1HE   LYS  23           HE2      LYS  23  -6.453  -4.776  12.508
  169   2HE   LYS  23           HE1      LYS  23  -5.269  -4.211  13.687
  170   1HZ   LYS  23           HZ3      LYS  23  -6.537  -2.494  11.623
  171   2HZ   LYS  23           HZ2      LYS  23  -7.048  -2.590  13.241
  172   3HZ   LYS  23           HZ1      LYS  23  -5.504  -1.986  12.869
  173    H    ALA  24           HN       ALA  24   1.308  -5.278  11.969
  174    HA   ALA  24           HA       ALA  24   1.634  -3.314  14.148
  175   1HB   ALA  24           HB2      ALA  24   2.631  -5.932  13.583
  176   2HB   ALA  24           HB1      ALA  24   4.011  -4.841  13.713
  177   3HB   ALA  24           HB3      ALA  24   2.862  -4.971  15.045
  178    H    ALA  25           HN       ALA  25   3.694  -4.358  11.403
  179    HA   ALA  25           HA       ALA  25   5.401  -2.075  11.498
  180   1HB   ALA  25           HB1      ALA  25   5.330  -4.417  10.044
  181   2HB   ALA  25           HB3      ALA  25   4.976  -3.202   8.816
  182   3HB   ALA  25           HB2      ALA  25   6.458  -3.091   9.766
  183    H    PHE  26           HN       PHE  26   2.267  -2.592  10.012
  184    HA   PHE  26           HA       PHE  26   2.278  -0.419   8.177
  185   1HB   PHE  26           HB2      PHE  26   0.257  -2.123   9.471
  186   2HB   PHE  26           HB1      PHE  26  -0.326  -0.510   9.058
  187    HD1  PHE  26           HD2      PHE  26   1.560  -3.412   7.631
  188    HD2  PHE  26           HD1      PHE  26  -0.927   0.000   6.848
  189    HE1  PHE  26           HE2      PHE  26   1.411  -4.068   5.245
  190    HE2  PHE  26           HE1      PHE  26  -1.074  -0.654   4.462
  191    HZ   PHE  26           HZ       PHE  26   0.095  -2.689   3.659
  192    H    ASP  27           HN       ASP  27   1.911  -0.505  11.663
  193    HA   ASP  27           HA       ASP  27   0.885   2.219  11.857
  194   1HB   ASP  27           HB2      ASP  27   0.407   0.632  13.651
  195   2HB   ASP  27           HB1      ASP  27   2.132   0.388  13.930
  196    H    MET  28           HN       MET  28   4.055   0.646  12.182
  197    HA   MET  28           HA       MET  28   5.557   2.873  13.058
  198   1HB   MET  28           HB2      MET  28   6.253   0.372  12.583
  199   2HB   MET  28           HB1      MET  28   6.686   1.006  10.994
  200   1HG   MET  28           HG2      MET  28   7.926   2.866  12.342
  201   2HG   MET  28           HG1      MET  28   7.825   1.727  13.686
  202   1HE   MET  28           HE2      MET  28   8.264  -0.425  13.675
  203   2HE   MET  28           HE1      MET  28   9.073  -1.427  12.473
  204   3HE   MET  28           HE3      MET  28  10.022  -0.546  13.679
  205    H    PHE  29           HN       PHE  29   4.654   1.893   9.753
  206    HA   PHE  29           HA       PHE  29   6.068   3.900   8.341
  207   1HB   PHE  29           HB2      PHE  29   3.417   2.555   7.757
  208   2HB   PHE  29           HB1      PHE  29   4.223   3.634   6.617
  209    HD1  PHE  29           HD1      PHE  29   6.971   3.060   6.641
  210    HD2  PHE  29           HD2      PHE  29   3.719   0.313   7.220
  211    HE1  PHE  29           HE1      PHE  29   8.419   1.189   5.897
  212    HE2  PHE  29           HE2      PHE  29   5.168  -1.559   6.476
  213    HZ   PHE  29           HZ       PHE  29   7.518  -1.121   5.815
  214    H    ASP  30           HN       ASP  30   2.539   4.035   8.931
  215    HA   ASP  30           HA       ASP  30   2.432   6.886   8.590
  216   1HB   ASP  30           HB2      ASP  30   0.546   4.987   8.579
  217   2HB   ASP  30           HB1      ASP  30   0.377   5.500  10.258
  218    H    ALA  31           HN       ALA  31   0.761   7.406  10.990
  219    HA   ALA  31           HA       ALA  31   2.200   6.971  13.402
  220   1HB   ALA  31           HB1      ALA  31   3.586   8.707  11.723
  221   2HB   ALA  31           HB3      ALA  31   2.731   9.787  12.824
  222   3HB   ALA  31           HB2      ALA  31   3.816   8.553  13.465
  223    H    ASP  32           HN       ASP  32   0.571   9.676  11.706
  224    HA   ASP  32           HA       ASP  32  -0.860  10.549  14.044
  225   1HB   ASP  32           HB2      ASP  32  -0.473  11.532  11.485
  226   2HB   ASP  32           HB1      ASP  32  -2.182  11.095  11.483
  227    H    GLY  33           HN       GLY  33  -1.255   7.843  12.026
  228   1HA   GLY  33           HA2      GLY  33  -3.912   7.329  13.262
  229   2HA   GLY  33           HA1      GLY  33  -3.749   7.161  11.514
  230    H    GLY  34           HN       GLY  34  -1.107   6.052  11.497
  231   1HA   GLY  34           HA2      GLY  34  -0.009   3.987  11.725
  232   2HA   GLY  34           HA1      GLY  34  -0.911   3.758  13.224
  233    H    GLY  35           HN       GLY  35  -1.164   3.453   9.696
  234   1HA   GLY  35           HA2      GLY  35  -2.103   1.019   9.259
  235   2HA   GLY  35           HA1      GLY  35  -3.535   1.696  10.036
  236    H    ASP  36           HN       ASP  36  -2.452   4.340   8.651
  237    HA   ASP  36           HA       ASP  36  -3.392   3.729   5.896
  238   1HB   ASP  36           HB2      ASP  36  -4.716   5.480   7.908
  239   2HB   ASP  36           HB1      ASP  36  -4.615   6.106   6.261
  240    H    ILE  37           HN       ILE  37  -2.061   4.697   4.435
  241    HA   ILE  37           HA       ILE  37  -0.279   6.872   5.445
  242    HB   ILE  37           HB       ILE  37   0.411   5.671   2.851
  243   1HG1  ILE  37          HG12      ILE  37  -0.516   3.658   3.922
  244   2HG1  ILE  37          HG11      ILE  37   1.243   3.551   3.841
  245   1HG2  ILE  37          HG22      ILE  37   1.656   6.789   5.236
  246   2HG2  ILE  37          HG21      ILE  37   2.471   5.319   4.701
  247   3HG2  ILE  37          HG23      ILE  37   2.287   6.679   3.593
  248   1HD1  ILE  37          HD11      ILE  37   0.204   4.851   6.279
  249   2HD1  ILE  37          HD13      ILE  37  -0.211   3.145   6.120
  250   3HD1  ILE  37          HD12      ILE  37   1.480   3.647   6.100
  251    H    SER  38           HN       SER  38  -0.092   8.789   4.241
  252    HA   SER  38           HA       SER  38  -2.184   9.148   2.136
  253   1HB   SER  38           HB2      SER  38  -1.130  10.889   4.304
  254   2HB   SER  38           HB1      SER  38  -1.493  11.682   2.774
  255    HG   SER  38           HG       SER  38  -3.199  11.133   4.597
  256    H    THR  39           HN       THR  39  -1.455  10.986   0.523
  257    HA   THR  39           HA       THR  39   0.832  10.056  -0.885
  258    HB   THR  39           HB       THR  39   0.570  11.997  -2.298
  259    HG1  THR  39           HG1      THR  39   0.256  13.773  -1.233
  260   1HG2  THR  39          HG21      THR  39  -1.622  10.345  -1.477
  261   2HG2  THR  39          HG23      THR  39  -2.237  11.954  -1.853
  262   3HG2  THR  39          HG22      THR  39  -1.320  11.057  -3.062
  263    H    LYS  40           HN       LYS  40   0.579  12.141   1.852
  264    HA   LYS  40           HA       LYS  40   3.110  13.524   1.424
  265   1HB   LYS  40           HB2      LYS  40   1.479  14.624   2.812
  266   2HB   LYS  40           HB1      LYS  40   1.323  13.206   3.850
  267   1HG   LYS  40           HG2      LYS  40   3.657  13.460   4.578
  268   2HG   LYS  40           HG1      LYS  40   3.845  14.855   3.516
  269   1HD   LYS  40           HD2      LYS  40   2.261  16.140   4.777
  270   2HD   LYS  40           HD1      LYS  40   1.752  14.722   5.697
  271   1HE   LYS  40           HE2      LYS  40   4.224  14.580   6.456
  272   2HE   LYS  40           HE1      LYS  40   4.354  16.239   5.873
  273   1HZ   LYS  40           HZ1      LYS  40   2.104  15.563   7.617
  274   2HZ   LYS  40           HZ3      LYS  40   3.638  15.705   8.326
  275   3HZ   LYS  40           HZ2      LYS  40   2.969  17.018   7.478
  276    H    GLU  41           HN       GLU  41   2.139  11.201   3.979
  277    HA   GLU  41           HA       GLU  41   4.915  10.502   4.509
  278   1HB   GLU  41           HB2      GLU  41   2.799  10.396   6.084
  279   2HB   GLU  41           HB1      GLU  41   2.606   8.789   5.380
  280   1HG   GLU  41           HG2      GLU  41   4.449   7.960   6.439
  281   2HG   GLU  41           HG1      GLU  41   5.353   9.463   6.254
  282    H    LEU  42           HN       LEU  42   2.941   9.739   1.973
  283    HA   LEU  42           HA       LEU  42   3.762   6.912   1.740
  284   1HB   LEU  42           HB2      LEU  42   1.493   7.490   1.045
  285   2HB   LEU  42           HB1      LEU  42   2.119   8.697  -0.078
  286    HG   LEU  42           HG       LEU  42   3.469   6.261  -0.643
  287   1HD1  LEU  42          HD12      LEU  42   0.500   5.987  -0.171
  288   2HD1  LEU  42          HD11      LEU  42   1.342   4.964  -1.335
  289   3HD1  LEU  42          HD13      LEU  42   1.798   4.923   0.369
  290   1HD2  LEU  42          HD23      LEU  42   1.542   8.120  -1.964
  291   2HD2  LEU  42          HD22      LEU  42   3.158   7.634  -2.472
  292   3HD2  LEU  42          HD21      LEU  42   1.792   6.546  -2.716
  293    H    GLY  43           HN       GLY  43   4.440  10.051   0.248
  294   1HA   GLY  43           HA2      GLY  43   6.292   8.813  -1.686
  295   2HA   GLY  43           HA1      GLY  43   5.905  10.529  -1.578
  296    H    THR  44           HN       THR  44   6.429  10.113   1.493
  297    HA   THR  44           HA       THR  44   9.283  10.837   1.271
  298    HB   THR  44           HB       THR  44   8.845  11.024   3.897
  299    HG1  THR  44           HG1      THR  44   6.679  11.492   4.275
  300   1HG2  THR  44          HG21      THR  44   8.551  12.780   1.613
  301   2HG2  THR  44          HG23      THR  44   7.456  13.260   2.909
  302   3HG2  THR  44          HG22      THR  44   9.187  13.142   3.218
  303    H    VAL  45           HN       VAL  45   7.276   8.346   2.838
  304    HA   VAL  45           HA       VAL  45   9.282   6.982   4.258
  305    HB   VAL  45           HB       VAL  45   7.856   4.928   3.858
  306   1HG1  VAL  45          HG12      VAL  45   6.563   7.527   4.726
  307   2HG1  VAL  45          HG11      VAL  45   5.821   5.945   4.972
  308   3HG1  VAL  45          HG13      VAL  45   7.355   6.331   5.753
  309   1HG2  VAL  45          HG23      VAL  45   6.704   6.832   1.878
  310   2HG2  VAL  45          HG22      VAL  45   6.824   5.073   1.807
  311   3HG2  VAL  45          HG21      VAL  45   5.557   5.834   2.772
  312    H    MET  46           HN       MET  46   8.290   6.542   0.860
  313    HA   MET  46           HA       MET  46  10.505   4.656   0.423
  314   1HB   MET  46           HB2      MET  46   9.631   4.865  -2.016
  315   2HB   MET  46           HB1      MET  46   8.602   4.070  -0.826
  316   1HG   MET  46           HG2      MET  46   7.050   5.738  -0.863
  317   2HG   MET  46           HG1      MET  46   8.266   7.004  -1.020
  318   1HE   MET  46           HE1      MET  46   7.461   3.762  -2.822
  319   2HE   MET  46           HE3      MET  46   5.865   4.525  -2.889
  320   3HE   MET  46           HE2      MET  46   6.776   4.245  -4.371
  321    H    ARG  47           HN       ARG  47   9.683   8.008  -0.425
  322    HA   ARG  47           HA       ARG  47  12.231   8.276  -1.894
  323   1HB   ARG  47           HB2      ARG  47   9.801   9.415  -2.310
  324   2HB   ARG  47           HB1      ARG  47  10.592  10.686  -1.376
  325   1HG   ARG  47           HG2      ARG  47  11.140  11.151  -3.645
  326   2HG   ARG  47           HG1      ARG  47  12.583  10.392  -2.971
  327   1HD   ARG  47           HD2      ARG  47  12.452   8.913  -4.672
  328   2HD   ARG  47           HD1      ARG  47  11.046   8.239  -3.848
  329    HE   ARG  47           HE       ARG  47  10.176  10.463  -5.392
  330   1HH1  ARG  47          HH21      ARG  47   9.139   7.576  -5.442
  331   2HH1  ARG  47          HH22      ARG  47   9.430   7.155  -7.096
  332   1HH2  ARG  47          HH11      ARG  47  11.581   9.812  -7.672
  333   2HH2  ARG  47          HH12      ARG  47  10.809   8.422  -8.359
  334    H    MET  48           HN       MET  48  11.878   7.944   1.179
  335    HA   MET  48           HA       MET  48  12.770  10.417   2.363
  336   1HB   MET  48           HB2      MET  48  11.810   8.652   3.761
  337   2HB   MET  48           HB1      MET  48  13.103   7.547   3.298
  338   1HG   MET  48           HG2      MET  48  14.018   8.310   5.261
  339   2HG   MET  48           HG1      MET  48  14.602   9.592   4.200
  340   1HE   MET  48           HE2      MET  48  12.130   8.181   6.379
  341   2HE   MET  48           HE1      MET  48  11.634   9.463   7.481
  342   3HE   MET  48           HE3      MET  48  10.729   9.175   5.988
  343    H    LEU  49           HN       LEU  49  14.477   7.517   1.207
  344    HA   LEU  49           HA       LEU  49  17.085   8.831   1.661
  345   1HB   LEU  49           HB2      LEU  49  17.906   6.606   0.611
  346   2HB   LEU  49           HB1      LEU  49  17.157   6.531   2.206
  347    HG   LEU  49           HG       LEU  49  15.315   6.307  -0.114
  348   1HD1  LEU  49          HD11      LEU  49  17.658   4.630   0.139
  349   2HD1  LEU  49          HD13      LEU  49  16.197   3.676   0.392
  350   3HD1  LEU  49          HD12      LEU  49  16.401   4.598  -1.098
  351   1HD2  LEU  49          HD21      LEU  49  15.451   5.637   2.710
  352   2HD2  LEU  49          HD23      LEU  49  14.039   5.726   1.657
  353   3HD2  LEU  49          HD22      LEU  49  14.971   4.233   1.755
  354    H    GLY  50           HN       GLY  50  15.315  10.052  -0.271
  355   1HA   GLY  50           HA2      GLY  50  17.066   9.806  -2.666
  356   2HA   GLY  50           HA1      GLY  50  15.318   9.695  -2.882
  357    H    GLN  51           HN       GLN  51  14.061  11.589  -2.719
  358    HA   GLN  51           HA       GLN  51  15.431  14.128  -1.994
  359   1HB   GLN  51           HB2      GLN  51  13.773  14.336  -4.416
  360   2HB   GLN  51           HB1      GLN  51  15.339  15.064  -4.071
  361   1HG   GLN  51           HG2      GLN  51  15.042  12.126  -4.722
  362   2HG   GLN  51           HG1      GLN  51  15.264  13.346  -5.975
  363   1HE2  GLN  51          HE22      GLN  51  18.608  12.003  -4.714
  364   2HE2  GLN  51          HE21      GLN  51  17.190  11.200  -5.187
  365    H    ASN  52           HN       ASN  52  13.798  15.828  -1.478
  366    HA   ASN  52           HA       ASN  52  11.344  14.687  -0.488
  367   1HB   ASN  52           HB2      ASN  52  11.708  17.595  -1.248
  368   2HB   ASN  52           HB1      ASN  52  10.678  16.926   0.017
  369   1HD2  ASN  52          HD22      ASN  52  14.308  18.090   1.067
  370   2HD2  ASN  52          HD21      ASN  52  13.447  18.655  -0.283
  371    HA   PRO  53           HA       PRO  53   9.566  14.737  -4.572
  372   1HB   PRO  53           HB2      PRO  53   7.392  13.205  -3.916
  373   2HB   PRO  53           HB1      PRO  53   9.017  12.540  -4.153
  374   1HG   PRO  53           HG2      PRO  53   7.505  12.856  -1.634
  375   2HG   PRO  53           HG1      PRO  53   8.913  11.840  -1.977
  376   1HD   PRO  53           HD2      PRO  53   8.861  14.408  -0.638
  377   2HD   PRO  53           HD1      PRO  53  10.257  13.349  -0.947
  378    H    THR  54           HN       THR  54   6.900  14.871  -5.136
  379    HA   THR  54           HA       THR  54   6.061  17.417  -3.814
  380    HB   THR  54           HB       THR  54   5.110  16.402  -6.494
  381    HG1  THR  54           HG1      THR  54   7.449  16.692  -6.334
  382   1HG2  THR  54          HG22      THR  54   3.869  18.216  -5.250
  383   2HG2  THR  54          HG21      THR  54   5.320  19.208  -5.391
  384   3HG2  THR  54          HG23      THR  54   4.464  18.688  -6.842
  385    H    LYS  55           HN       LYS  55   3.791  17.682  -3.348
  386    HA   LYS  55           HA       LYS  55   2.509  15.322  -2.327
  387   1HB   LYS  55           HB2      LYS  55   2.113  17.657  -1.481
  388   2HB   LYS  55           HB1      LYS  55   1.222  17.992  -2.966
  389   1HG   LYS  55           HG2      LYS  55   0.178  15.565  -1.977
  390   2HG   LYS  55           HG1      LYS  55   0.314  16.635  -0.582
  391   1HD   LYS  55           HD2      LYS  55  -0.880  18.407  -1.852
  392   2HD   LYS  55           HD1      LYS  55  -1.069  17.287  -3.201
  393   1HE   LYS  55           HE2      LYS  55  -2.500  15.860  -1.965
  394   2HE   LYS  55           HE1      LYS  55  -2.032  16.585  -0.428
  395   1HZ   LYS  55           HZ3      LYS  55  -3.178  18.395  -2.384
  396   2HZ   LYS  55           HZ2      LYS  55  -4.245  17.236  -1.748
  397   3HZ   LYS  55           HZ1      LYS  55  -3.429  18.305  -0.709
  398    H    GLU  56           HN       GLU  56   2.380  17.010  -5.388
  399    HA   GLU  56           HA       GLU  56   0.025  15.476  -6.274
  400   1HB   GLU  56           HB2      GLU  56   0.867  17.952  -6.939
  401   2HB   GLU  56           HB1      GLU  56   1.647  17.030  -8.225
  402   1HG   GLU  56           HG2      GLU  56  -0.524  15.993  -8.793
  403   2HG   GLU  56           HG1      GLU  56  -1.302  16.942  -7.527
  404    H    GLU  57           HN       GLU  57   3.465  15.234  -6.324
  405    HA   GLU  57           HA       GLU  57   3.689  13.551  -8.673
  406   1HB   GLU  57           HB2      GLU  57   5.647  14.739  -7.826
  407   2HB   GLU  57           HB1      GLU  57   5.522  13.900  -6.280
  408   1HG   GLU  57           HG2      GLU  57   6.035  11.782  -7.294
  409   2HG   GLU  57           HG1      GLU  57   5.890  12.458  -8.916
  410    H    LEU  58           HN       LEU  58   3.022  13.006  -5.266
  411    HA   LEU  58           HA       LEU  58   3.358  10.108  -5.448
  412   1HB   LEU  58           HB2      LEU  58   2.382  12.031  -3.357
  413   2HB   LEU  58           HB1      LEU  58   2.020  10.312  -3.186
  414    HG   LEU  58           HG       LEU  58   4.136  10.911  -2.043
  415   1HD1  LEU  58          HD12      LEU  58   3.789   8.901  -4.100
  416   2HD1  LEU  58          HD11      LEU  58   5.483   9.375  -3.980
  417   3HD1  LEU  58          HD13      LEU  58   4.632   8.775  -2.557
  418   1HD2  LEU  58          HD21      LEU  58   4.607  12.742  -3.825
  419   2HD2  LEU  58          HD23      LEU  58   5.980  11.835  -3.195
  420   3HD2  LEU  58          HD22      LEU  58   5.308  11.434  -4.775
  421    H    ASP  59           HN       ASP  59   0.921  12.341  -6.303
  422    HA   ASP  59           HA       ASP  59  -1.404  10.710  -5.842
  423   1HB   ASP  59           HB2      ASP  59  -1.213  13.247  -6.470
  424   2HB   ASP  59           HB1      ASP  59  -1.201  12.653  -8.131
  425    H    ALA  60           HN       ALA  60   1.083  10.706  -8.283
  426    HA   ALA  60           HA       ALA  60  -0.381   9.272 -10.313
  427   1HB   ALA  60           HB2      ALA  60   2.458   9.956  -9.772
  428   2HB   ALA  60           HB1      ALA  60   2.183   8.536 -10.781
  429   3HB   ALA  60           HB3      ALA  60   1.531  10.101 -11.265
  430    H    ILE  61           HN       ILE  61   1.992   8.166  -7.867
  431    HA   ILE  61           HA       ILE  61   1.501   5.361  -8.426
  432    HB   ILE  61           HB       ILE  61   2.509   6.227  -5.749
  433   1HG1  ILE  61          HG12      ILE  61   4.784   6.352  -7.276
  434   2HG1  ILE  61          HG11      ILE  61   3.604   7.142  -8.327
  435   1HG2  ILE  61          HG21      ILE  61   2.757   3.980  -7.611
  436   2HG2  ILE  61          HG23      ILE  61   4.302   4.494  -6.934
  437   3HG2  ILE  61          HG22      ILE  61   2.982   4.025  -5.862
  438   1HD1  ILE  61          HD13      ILE  61   3.142   8.054  -5.669
  439   2HD1  ILE  61          HD12      ILE  61   4.871   8.195  -5.990
  440   3HD1  ILE  61          HD11      ILE  61   3.709   8.987  -7.054
  441    H    ILE  62           HN       ILE  62  -0.061   7.792  -6.543
  442    HA   ILE  62           HA       ILE  62  -1.460   5.838  -4.851
  443    HB   ILE  62           HB       ILE  62  -1.389   8.838  -5.035
  444   1HG1  ILE  62          HG12      ILE  62   0.202   7.422  -3.636
  445   2HG1  ILE  62          HG11      ILE  62  -0.683   8.664  -2.749
  446   1HG2  ILE  62          HG21      ILE  62  -3.470   7.182  -3.573
  447   2HG2  ILE  62          HG23      ILE  62  -3.182   8.897  -3.284
  448   3HG2  ILE  62          HG22      ILE  62  -3.772   8.354  -4.854
  449   1HD1  ILE  62          HD12      ILE  62  -1.502   5.748  -2.943
  450   2HD1  ILE  62          HD11      ILE  62  -0.704   6.486  -1.553
  451   3HD1  ILE  62          HD13      ILE  62  -2.328   6.999  -2.012
  452    H    GLU  63           HN       GLU  63  -1.809   7.048  -7.970
  453    HA   GLU  63           HA       GLU  63  -4.745   7.108  -7.987
  454   1HB   GLU  63           HB2      GLU  63  -3.057   8.448  -9.502
  455   2HB   GLU  63           HB1      GLU  63  -3.073   6.979 -10.478
  456   1HG   GLU  63           HG2      GLU  63  -4.805   8.362 -11.369
  457   2HG   GLU  63           HG1      GLU  63  -5.624   7.125 -10.412
  458    H    GLU  64           HN       GLU  64  -2.163   4.859  -8.819
  459    HA   GLU  64           HA       GLU  64  -4.016   2.977 -10.099
  460   1HB   GLU  64           HB2      GLU  64  -2.068   1.535 -10.333
  461   2HB   GLU  64           HB1      GLU  64  -1.617   3.177 -10.792
  462   1HG   GLU  64           HG2      GLU  64  -0.095   3.305  -9.136
  463   2HG   GLU  64           HG1      GLU  64  -1.265   2.749  -7.939
  464    H    VAL  65           HN       VAL  65  -3.813   3.885  -7.024
  465    HA   VAL  65           HA       VAL  65  -4.424   1.137  -6.031
  466    HB   VAL  65           HB       VAL  65  -3.170   3.059  -4.129
  467   1HG1  VAL  65          HG11      VAL  65  -3.433   0.122  -4.559
  468   2HG1  VAL  65          HG13      VAL  65  -1.985   0.683  -3.724
  469   3HG1  VAL  65          HG12      VAL  65  -3.580   1.058  -3.072
  470   1HG2  VAL  65          HG21      VAL  65  -1.772   3.231  -6.203
  471   2HG2  VAL  65          HG23      VAL  65  -0.908   2.499  -4.850
  472   3HG2  VAL  65          HG22      VAL  65  -1.539   1.484  -6.147
  473    H    ASP  66           HN       ASP  66  -4.500   4.546  -4.911
  474    HA   ASP  66           HA       ASP  66  -6.929   4.107  -3.389
  475   1HB   ASP  66           HB2      ASP  66  -5.241   6.475  -4.108
  476   2HB   ASP  66           HB1      ASP  66  -6.877   6.758  -3.511
  477    H    GLU  67           HN       GLU  67  -8.344   3.206  -5.037
  478    HA   GLU  67           HA       GLU  67  -9.022   4.753  -7.404
  479   1HB   GLU  67           HB2      GLU  67 -10.859   3.078  -7.642
  480   2HB   GLU  67           HB1      GLU  67  -9.281   2.324  -7.417
  481   1HG   GLU  67           HG2      GLU  67  -9.974   1.309  -5.534
  482   2HG   GLU  67           HG1      GLU  67 -10.497   2.849  -4.849
  483    H    ASP  68           HN       ASP  68 -10.210   4.551  -4.116
  484    HA   ASP  68           HA       ASP  68 -12.792   5.655  -4.428
  485   1HB   ASP  68           HB2      ASP  68 -10.891   6.317  -2.164
  486   2HB   ASP  68           HB1      ASP  68 -12.654   6.277  -2.109
  487    H    GLY  69           HN       GLY  69  -9.628   7.256  -4.277
  488   1HA   GLY  69           HA2      GLY  69  -9.224   9.321  -5.508
  489   2HA   GLY  69           HA1      GLY  69 -10.937   9.712  -5.341
  490    H    SER  70           HN       SER  70  -9.402   8.432  -2.540
  491    HA   SER  70           HA       SER  70  -9.816  10.967  -1.130
  492   1HB   SER  70           HB2      SER  70  -8.389   8.660   0.130
  493   2HB   SER  70           HB1      SER  70  -9.597   9.741   0.820
  494    HG   SER  70           HG       SER  70 -11.057   8.361   0.240
  495    H    GLY  71           HN       GLY  71  -7.026   8.910  -1.983
  496   1HA   GLY  71           HA2      GLY  71  -4.939   9.986  -2.725
  497   2HA   GLY  71           HA1      GLY  71  -5.308  11.328  -1.640
  498    H    THR  72           HN       THR  72  -5.856   8.073  -0.540
  499    HA   THR  72           HA       THR  72  -3.234   7.850   0.760
  500    HB   THR  72           HB       THR  72  -4.131   9.263   2.419
  501    HG1  THR  72           HG1      THR  72  -5.172   6.919   3.485
  502   1HG2  THR  72          HG23      THR  72  -6.732   7.768   2.004
  503   2HG2  THR  72          HG22      THR  72  -6.474   8.981   3.259
  504   3HG2  THR  72          HG21      THR  72  -6.392   9.440   1.558
  505    H    ILE  73           HN       ILE  73  -2.806   5.712   1.291
  506    HA   ILE  73           HA       ILE  73  -4.895   3.755   0.512
  507    HB   ILE  73           HB       ILE  73  -1.920   3.481   1.014
  508   1HG1  ILE  73          HG12      ILE  73  -3.360   2.892  -1.555
  509   2HG1  ILE  73          HG11      ILE  73  -3.007   4.568  -1.132
  510   1HG2  ILE  73          HG22      ILE  73  -4.005   1.412   0.266
  511   2HG2  ILE  73          HG21      ILE  73  -2.267   1.154   0.119
  512   3HG2  ILE  73          HG23      ILE  73  -2.988   1.421   1.707
  513   1HD1  ILE  73          HD12      ILE  73  -0.604   3.891  -0.779
  514   2HD1  ILE  73          HD11      ILE  73  -1.016   2.304  -1.431
  515   3HD1  ILE  73          HD13      ILE  73  -1.156   3.740  -2.448
  516    H    ASP  74           HN       ASP  74  -5.227   1.841   1.898
  517    HA   ASP  74           HA       ASP  74  -4.913   2.538   4.787
  518   1HB   ASP  74           HB2      ASP  74  -6.907   0.674   3.459
  519   2HB   ASP  74           HB1      ASP  74  -6.848   1.066   5.179
  520    H    PHE  75           HN       PHE  75  -5.430  -0.038   5.819
  521    HA   PHE  75           HA       PHE  75  -2.824  -1.279   5.295
  522   1HB   PHE  75           HB2      PHE  75  -3.030  -2.188   7.371
  523   2HB   PHE  75           HB1      PHE  75  -4.327  -1.015   7.563
  524    HD1  PHE  75           HD2      PHE  75  -6.588  -1.996   6.162
  525    HD2  PHE  75           HD1      PHE  75  -3.591  -4.255   8.254
  526    HE1  PHE  75           HE2      PHE  75  -8.204  -3.852   6.474
  527    HE2  PHE  75           HE1      PHE  75  -5.206  -6.110   8.566
  528    HZ   PHE  75           HZ       PHE  75  -7.513  -5.909   7.676
  529    H    GLU  76           HN       GLU  76  -6.118  -1.748   4.339
  530    HA   GLU  76           HA       GLU  76  -5.622  -4.524   3.457
  531   1HB   GLU  76           HB2      GLU  76  -7.946  -4.603   2.907
  532   2HB   GLU  76           HB1      GLU  76  -7.846  -3.713   4.427
  533   1HG   GLU  76           HG2      GLU  76  -7.983  -1.585   3.225
  534   2HG   GLU  76           HG1      GLU  76  -7.993  -2.435   1.680
  535    H    GLU  77           HN       GLU  77  -6.135  -1.296   2.071
  536    HA   GLU  77           HA       GLU  77  -6.040  -2.217  -0.677
  537   1HB   GLU  77           HB2      GLU  77  -5.677   0.527   0.563
  538   2HB   GLU  77           HB1      GLU  77  -5.713   0.233  -1.176
  539   1HG   GLU  77           HG2      GLU  77  -7.959  -0.939  -0.773
  540   2HG   GLU  77           HG1      GLU  77  -7.928  -0.206   0.830
  541    H    PHE  78           HN       PHE  78  -3.657  -1.134   1.678
  542    HA   PHE  78           HA       PHE  78  -1.499  -0.796  -0.216
  543   1HB   PHE  78           HB2      PHE  78  -1.592   0.141   2.148
  544   2HB   PHE  78           HB1      PHE  78  -1.244  -1.487   2.722
  545    HD1  PHE  78           HD2      PHE  78   0.309  -1.149  -0.413
  546    HD2  PHE  78           HD1      PHE  78   0.732   0.070   3.685
  547    HE1  PHE  78           HE2      PHE  78   2.730  -0.762  -0.776
  548    HE2  PHE  78           HE1      PHE  78   3.153   0.454   3.321
  549    HZ   PHE  78           HZ       PHE  78   4.151   0.038   1.090
  550    H    LEU  79           HN       LEU  79  -3.162  -3.532   0.751
  551    HA   LEU  79           HA       LEU  79  -0.901  -5.379   0.861
  552   1HB   LEU  79           HB2      LEU  79  -3.859  -5.945   0.488
  553   2HB   LEU  79           HB1      LEU  79  -2.620  -7.126   0.917
  554    HG   LEU  79           HG       LEU  79  -3.497  -4.738   2.564
  555   1HD1  LEU  79          HD11      LEU  79  -3.665  -7.738   2.975
  556   2HD1  LEU  79          HD13      LEU  79  -4.053  -6.543   4.214
  557   3HD1  LEU  79          HD12      LEU  79  -5.016  -6.629   2.738
  558   1HD2  LEU  79          HD21      LEU  79  -1.229  -6.714   2.940
  559   2HD2  LEU  79          HD23      LEU  79  -1.108  -4.958   2.820
  560   3HD2  LEU  79          HD22      LEU  79  -1.851  -5.696   4.239
  561    H    VAL  80           HN       VAL  80  -3.101  -4.161  -1.598
  562    HA   VAL  80           HA       VAL  80  -2.576  -6.157  -3.591
  563    HB   VAL  80           HB       VAL  80  -3.396  -3.248  -3.810
  564   1HG1  VAL  80          HG12      VAL  80  -2.509  -5.146  -5.855
  565   2HG1  VAL  80          HG11      VAL  80  -4.135  -4.534  -6.158
  566   3HG1  VAL  80          HG13      VAL  80  -2.788  -3.409  -5.983
  567   1HG2  VAL  80          HG22      VAL  80  -4.863  -5.235  -2.829
  568   2HG2  VAL  80          HG21      VAL  80  -5.578  -4.038  -3.908
  569   3HG2  VAL  80          HG23      VAL  80  -5.090  -5.612  -4.537
  570    H    MET  81           HN       MET  81  -0.931  -3.158  -2.692
  571    HA   MET  81           HA       MET  81   0.962  -3.275  -4.897
  572   1HB   MET  81           HB2      MET  81   0.219  -1.354  -3.050
  573   2HB   MET  81           HB1      MET  81   1.824  -1.827  -2.494
  574   1HG   MET  81           HG2      MET  81   2.866  -1.044  -4.389
  575   2HG   MET  81           HG1      MET  81   1.480  -1.393  -5.421
  576   1HE   MET  81           HE1      MET  81   2.190   0.392  -2.156
  577   2HE   MET  81           HE3      MET  81   1.271   1.900  -2.243
  578   3HE   MET  81           HE2      MET  81   0.430   0.357  -2.123
  579    H    MET  82           HN       MET  82   1.230  -3.896  -1.379
  580    HA   MET  82           HA       MET  82   3.885  -4.820  -1.337
  581   1HB   MET  82           HB2      MET  82   1.703  -4.765   0.455
  582   2HB   MET  82           HB1      MET  82   2.237  -6.445   0.397
  583   1HG   MET  82           HG2      MET  82   4.483  -4.582   0.483
  584   2HG   MET  82           HG1      MET  82   3.421  -4.408   1.881
  585   1HE   MET  82           HE1      MET  82   5.188  -4.844   3.259
  586   2HE   MET  82           HE3      MET  82   5.772  -6.432   3.775
  587   3HE   MET  82           HE2      MET  82   6.527  -5.612   2.410
  588    H    VAL  83           HN       VAL  83   0.952  -6.455  -2.393
  589    HA   VAL  83           HA       VAL  83   2.267  -9.061  -2.625
  590    HB   VAL  83           HB       VAL  83  -0.405  -8.022  -3.607
  591   1HG1  VAL  83          HG12      VAL  83   0.824 -10.790  -3.750
  592   2HG1  VAL  83          HG11      VAL  83  -0.891 -10.463  -4.002
  593   3HG1  VAL  83          HG13      VAL  83   0.308  -9.788  -5.106
  594   1HG2  VAL  83          HG22      VAL  83   0.538  -8.910  -1.079
  595   2HG2  VAL  83          HG21      VAL  83  -1.129  -8.564  -1.542
  596   3HG2  VAL  83          HG23      VAL  83  -0.485 -10.196  -1.719
  597    H    ARG  84           HN       ARG  84   1.409  -6.376  -4.764
  598    HA   ARG  84           HA       ARG  84   1.820  -7.437  -7.290
  599   1HB   ARG  84           HB2      ARG  84   1.599  -4.903  -6.315
  600   2HB   ARG  84           HB1      ARG  84   3.295  -4.913  -6.800
  601   1HG   ARG  84           HG2      ARG  84   1.885  -4.169  -8.668
  602   2HG   ARG  84           HG1      ARG  84   2.633  -5.721  -9.048
  603   1HD   ARG  84           HD2      ARG  84   0.252  -6.393  -7.741
  604   2HD   ARG  84           HD1      ARG  84  -0.187  -5.055  -8.803
  605    HE   ARG  84           HE       ARG  84   1.195  -6.581 -10.534
  606   1HH1  ARG  84          HH11      ARG  84   0.396  -8.523  -8.080
  607   2HH1  ARG  84          HH12      ARG  84  -0.820  -9.450  -8.894
  608   1HH2  ARG  84          HH21      ARG  84  -1.013  -7.300 -11.608
  609   2HH2  ARG  84          HH22      ARG  84  -1.618  -8.757 -10.893
  610    H    GLN  85           HN       GLN  85   4.401  -6.173  -5.159
  611    HA   GLN  85           HA       GLN  85   6.461  -7.374  -6.880
  612   1HB   GLN  85           HB2      GLN  85   6.504  -5.156  -5.369
  613   2HB   GLN  85           HB1      GLN  85   7.116  -6.301  -4.174
  614   1HG   GLN  85           HG2      GLN  85   8.649  -7.071  -6.204
  615   2HG   GLN  85           HG1      GLN  85   8.338  -5.425  -6.760
  616   1HE2  GLN  85          HE22      GLN  85  11.171  -4.649  -4.721
  617   2HE2  GLN  85          HE21      GLN  85  10.662  -4.932  -6.315
  618    H    MET  86           HN       MET  86   5.815  -9.635  -6.616
  619    HA   MET  86           HA       MET  86   5.859 -10.821  -3.947
  620   1HB   MET  86           HB2      MET  86   5.196 -11.672  -6.666
  621   2HB   MET  86           HB1      MET  86   6.105 -12.898  -5.782
  622   1HG   MET  86           HG2      MET  86   3.907 -11.536  -4.306
  623   2HG   MET  86           HG1      MET  86   3.434 -12.669  -5.573
  624   1HE   MET  86           HE3      MET  86   3.107 -12.299  -2.614
  625   2HE   MET  86           HE2      MET  86   2.626 -13.983  -2.423
  626   3HE   MET  86           HE1      MET  86   3.991 -13.354  -1.503
  627    H    LYS  87           HN       LYS  87   7.894 -10.645  -3.015
  628    HA   LYS  87           HA       LYS  87  10.388 -10.714  -4.275
  629   1HB   LYS  87           HB2      LYS  87   9.387 -11.084  -1.576
  630   2HB   LYS  87           HB1      LYS  87  10.756 -12.152  -1.890
  631   1HG   LYS  87           HG2      LYS  87  11.607  -9.812  -3.044
  632   2HG   LYS  87           HG1      LYS  87  10.681  -9.215  -1.667
  633   1HD   LYS  87           HD2      LYS  87  12.278  -9.868  -0.219
  634   2HD   LYS  87           HD1      LYS  87  12.312 -11.491  -0.906
  635   1HE   LYS  87           HE2      LYS  87  14.102 -11.030  -2.239
  636   2HE   LYS  87           HE1      LYS  87  13.543  -9.394  -2.590
  637   1HZ   LYS  87           HZ2      LYS  87  14.768 -10.274  -0.031
  638   2HZ   LYS  87           HZ1      LYS  87  15.570  -9.407  -1.252
  639   3HZ   LYS  87           HZ3      LYS  87  14.279  -8.692  -0.415
  640    H    GLU  88           HN       GLU  88   8.139 -13.310  -3.778
  641    HA   GLU  88           HA       GLU  88   9.666 -15.614  -3.779
  642   1HB   GLU  88           HB2      GLU  88   7.133 -14.908  -5.248
  643   2HB   GLU  88           HB1      GLU  88   7.861 -16.503  -5.441
  644   1HG   GLU  88           HG2      GLU  88   7.292 -15.306  -2.723
  645   2HG   GLU  88           HG1      GLU  88   6.110 -16.290  -3.589
  646    H    ASP  89           HN       ASP  89   8.893 -13.623  -6.647
  647    HA   ASP  89           HA       ASP  89  11.428 -14.012  -7.875
  648   1HB   ASP  89           HB2      ASP  89  10.701 -16.365  -8.068
  649   2HB   ASP  89           HB1      ASP  89   9.251 -15.845  -8.927
  650    H    ALA  90           HN       ALA  90  10.407 -11.702  -7.824
  651    HA   ALA  90           HA       ALA  90   8.669 -11.272 -10.208
  652   1HB   ALA  90           HB1      ALA  90   8.504 -10.217  -7.668
  653   2HB   ALA  90           HB3      ALA  90   9.342  -8.937  -8.547
  654   3HB   ALA  90           HB2      ALA  90   7.767  -9.504  -9.104
   
  No H/Q in entry =         654
  Start of MODEL   13
    1   1H    ALA   1           HT2      ALA   1  -9.094  -6.806 -11.283
    2   2H    ALA   1           HT1      ALA   1  -8.521  -7.598  -9.894
    3   3H    ALA   1           HT3      ALA   1  -9.070  -8.503 -11.218
    4    HA   ALA   1           HA       ALA   1 -11.254  -8.180 -10.754
    5   1HB   ALA   1           HB1      ALA   1  -9.623  -8.764  -8.555
    6   2HB   ALA   1           HB3      ALA   1 -10.748  -7.543  -7.959
    7   3HB   ALA   1           HB2      ALA   1 -11.362  -9.036  -8.669
    8    H    SER   2           HN       SER   2 -12.663  -6.749  -8.893
    9    HA   SER   2           HA       SER   2 -12.573  -4.054 -10.044
   10   1HB   SER   2           HB2      SER   2 -14.449  -5.621  -8.352
   11   2HB   SER   2           HB1      SER   2 -14.479  -3.872  -8.139
   12    HG   SER   2           HG       SER   2 -15.504  -5.340 -10.115
   13    H    MET   3           HN       MET   3 -13.113  -4.822  -6.620
   14    HA   MET   3           HA       MET   3 -10.687  -3.313  -5.857
   15   1HB   MET   3           HB2      MET   3 -13.276  -2.106  -5.930
   16   2HB   MET   3           HB1      MET   3 -12.825  -2.315  -4.238
   17   1HG   MET   3           HG2      MET   3 -11.110  -0.996  -6.364
   18   2HG   MET   3           HG1      MET   3 -12.013  -0.152  -5.108
   19   1HE   MET   3           HE2      MET   3  -9.328  -1.828  -6.408
   20   2HE   MET   3           HE1      MET   3  -8.039  -1.173  -5.403
   21   3HE   MET   3           HE3      MET   3  -8.569  -2.847  -5.186
   22    H    THR   4           HN       THR   4 -13.675  -4.885  -4.679
   23    HA   THR   4           HA       THR   4 -12.399  -5.625  -2.153
   24    HB   THR   4           HB       THR   4 -14.903  -5.174  -2.511
   25    HG1  THR   4           HG1      THR   4 -15.314  -7.270  -1.221
   26   1HG2  THR   4          HG21      THR   4 -15.079  -6.601  -4.552
   27   2HG2  THR   4          HG23      THR   4 -14.798  -8.021  -3.543
   28   3HG2  THR   4          HG22      THR   4 -16.246  -7.041  -3.306
   29    H    ASP   5           HN       ASP   5 -13.458  -7.352  -5.098
   30    HA   ASP   5           HA       ASP   5 -12.484  -9.920  -4.256
   31   1HB   ASP   5           HB2      ASP   5 -13.682  -8.770  -6.616
   32   2HB   ASP   5           HB1      ASP   5 -12.297  -9.758  -7.080
   33    H    GLN   6           HN       GLN   6 -10.981  -7.105  -5.655
   34    HA   GLN   6           HA       GLN   6  -8.525  -8.482  -6.435
   35   1HB   GLN   6           HB2      GLN   6  -9.569  -6.179  -7.266
   36   2HB   GLN   6           HB1      GLN   6  -8.623  -5.532  -5.926
   37   1HG   GLN   6           HG2      GLN   6  -6.580  -6.417  -6.831
   38   2HG   GLN   6           HG1      GLN   6  -7.456  -7.355  -8.043
   39   1HE2  GLN   6          HE22      GLN   6  -6.274  -4.265  -9.744
   40   2HE2  GLN   6          HE21      GLN   6  -5.541  -5.620  -9.028
   41    H    GLN   7           HN       GLN   7  -9.751  -6.756  -3.635
   42    HA   GLN   7           HA       GLN   7  -7.181  -6.581  -2.284
   43   1HB   GLN   7           HB2      GLN   7  -8.772  -4.982  -1.571
   44   2HB   GLN   7           HB1      GLN   7 -10.057  -6.183  -1.457
   45   1HG   GLN   7           HG2      GLN   7  -7.726  -6.741   0.262
   46   2HG   GLN   7           HG1      GLN   7  -8.601  -5.266   0.680
   47   1HE2  GLN   7          HE22      GLN   7 -11.737  -7.310   0.985
   48   2HE2  GLN   7          HE21      GLN   7 -11.246  -6.041  -0.029
   49    H    ALA   8           HN       ALA   8  -9.773  -8.931  -2.498
   50    HA   ALA   8           HA       ALA   8  -8.755 -10.517  -0.244
   51   1HB   ALA   8           HB3      ALA   8 -10.954 -10.906  -2.277
   52   2HB   ALA   8           HB2      ALA   8 -10.474 -12.202  -1.183
   53   3HB   ALA   8           HB1      ALA   8 -11.102 -10.687  -0.534
   54    H    GLU   9           HN       GLU   9  -8.604 -10.552  -3.775
   55    HA   GLU   9           HA       GLU   9  -7.474 -13.144  -4.112
   56   1HB   GLU   9           HB2      GLU   9  -7.572 -10.629  -5.703
   57   2HB   GLU   9           HB1      GLU   9  -6.325 -11.797  -6.144
   58   1HG   GLU   9           HG2      GLU   9  -8.918 -13.060  -5.646
   59   2HG   GLU   9           HG1      GLU   9  -8.977 -11.884  -6.960
   60    H    ALA  10           HN       ALA  10  -5.876  -9.972  -3.698
   61    HA   ALA  10           HA       ALA  10  -3.218 -11.138  -3.646
   62   1HB   ALA  10           HB1      ALA  10  -3.875  -8.701  -4.209
   63   2HB   ALA  10           HB3      ALA  10  -3.970  -8.461  -2.465
   64   3HB   ALA  10           HB2      ALA  10  -2.444  -8.940  -3.207
   65    H    ARG  11           HN       ARG  11  -5.758 -10.900  -1.374
   66    HA   ARG  11           HA       ARG  11  -4.013 -10.934   0.992
   67   1HB   ARG  11           HB2      ARG  11  -6.291  -9.863   0.985
   68   2HB   ARG  11           HB1      ARG  11  -6.991 -11.472   0.819
   69   1HG   ARG  11           HG2      ARG  11  -6.262 -12.148   2.950
   70   2HG   ARG  11           HG1      ARG  11  -5.044 -10.876   3.038
   71   1HD   ARG  11           HD2      ARG  11  -6.933  -9.193   3.049
   72   2HD   ARG  11           HD1      ARG  11  -8.049 -10.548   3.221
   73    HE   ARG  11           HE       ARG  11  -6.650 -11.079   5.345
   74   1HH1  ARG  11          HH21      ARG  11  -5.394  -8.254   4.369
   75   2HH1  ARG  11          HH22      ARG  11  -5.948  -7.283   5.691
   76   1HH2  ARG  11          HH11      ARG  11  -8.116  -9.703   6.904
   77   2HH2  ARG  11          HH12      ARG  11  -7.488  -8.103   7.127
   78    H    ALA  12           HN       ALA  12  -5.375 -13.208  -1.204
   79    HA   ALA  12           HA       ALA  12  -5.692 -15.488   0.449
   80   1HB   ALA  12           HB3      ALA  12  -5.146 -15.018  -2.441
   81   2HB   ALA  12           HB2      ALA  12  -4.808 -16.634  -1.820
   82   3HB   ALA  12           HB1      ALA  12  -6.428 -15.954  -1.676
   83    H    PHE  13           HN       PHE  13  -2.875 -15.063  -1.720
   84    HA   PHE  13           HA       PHE  13  -1.190 -16.889  -0.419
   85   1HB   PHE  13           HB2      PHE  13  -0.574 -15.907  -2.564
   86   2HB   PHE  13           HB1      PHE  13  -0.445 -14.308  -1.828
   87    HD1  PHE  13           HD1      PHE  13   0.981 -17.753  -1.754
   88    HD2  PHE  13           HD2      PHE  13   1.546 -13.618  -0.734
   89    HE1  PHE  13           HE1      PHE  13   3.334 -18.229  -1.130
   90    HE2  PHE  13           HE2      PHE  13   3.899 -14.093  -0.111
   91    HZ   PHE  13           HZ       PHE  13   4.793 -16.399  -0.309
   92    H    LEU  14           HN       LEU  14  -2.192 -13.741   0.620
   93    HA   LEU  14           HA       LEU  14  -0.001 -13.518   2.587
   94   1HB   LEU  14           HB2      LEU  14  -2.443 -11.762   2.202
   95   2HB   LEU  14           HB1      LEU  14  -1.021 -11.379   3.173
   96    HG   LEU  14           HG       LEU  14  -1.116 -11.758   0.168
   97   1HD1  LEU  14          HD13      LEU  14  -0.422  -9.375   1.915
   98   2HD1  LEU  14          HD12      LEU  14  -0.368  -9.405   0.153
   99   3HD1  LEU  14          HD11      LEU  14  -1.911  -9.569   0.990
  100   1HD2  LEU  14          HD23      LEU  14   1.176 -11.522   2.119
  101   2HD2  LEU  14          HD22      LEU  14   0.962 -12.688   0.814
  102   3HD2  LEU  14          HD21      LEU  14   1.353 -11.010   0.441
  103    H    SER  15           HN       SER  15  -0.636 -15.550   3.715
  104    HA   SER  15           HA       SER  15  -3.092 -16.106   4.915
  105   1HB   SER  15           HB2      SER  15  -0.525 -17.123   5.138
  106   2HB   SER  15           HB1      SER  15  -0.845 -16.516   6.759
  107    HG   SER  15           HG       SER  15  -2.836 -17.702   6.669
  108    H    GLU  16           HN       GLU  16  -3.677 -15.778   7.292
  109    HA   GLU  16           HA       GLU  16  -3.894 -13.013   7.895
  110   1HB   GLU  16           HB2      GLU  16  -4.827 -15.431   9.006
  111   2HB   GLU  16           HB1      GLU  16  -3.958 -14.613  10.305
  112   1HG   GLU  16           HG2      GLU  16  -5.298 -12.502   9.347
  113   2HG   GLU  16           HG1      GLU  16  -6.420 -13.769   8.847
  114    H    GLU  17           HN       GLU  17  -1.326 -15.266   8.467
  115    HA   GLU  17           HA       GLU  17  -0.051 -13.583  10.520
  116   1HB   GLU  17           HB2      GLU  17   0.079 -16.122  10.481
  117   2HB   GLU  17           HB1      GLU  17   1.132 -15.965   9.074
  118   1HG   GLU  17           HG2      GLU  17   1.741 -14.398  11.561
  119   2HG   GLU  17           HG1      GLU  17   2.197 -16.100  11.469
  120    H    MET  18           HN       MET  18   0.099 -14.110   7.074
  121    HA   MET  18           HA       MET  18   2.691 -12.833   6.718
  122   1HB   MET  18           HB2      MET  18   0.862 -14.283   5.098
  123   2HB   MET  18           HB1      MET  18   1.086 -12.705   4.340
  124   1HG   MET  18           HG2      MET  18   3.509 -14.131   5.358
  125   2HG   MET  18           HG1      MET  18   2.774 -14.707   3.861
  126   1HE   MET  18           HE2      MET  18   5.013 -14.441   3.299
  127   2HE   MET  18           HE1      MET  18   5.135 -13.338   1.931
  128   3HE   MET  18           HE3      MET  18   5.994 -12.985   3.435
  129    H    ILE  19           HN       ILE  19  -0.702 -11.786   6.362
  130    HA   ILE  19           HA       ILE  19  -0.130  -9.172   5.367
  131    HB   ILE  19           HB       ILE  19  -2.447  -9.887   7.178
  132   1HG1  ILE  19          HG12      ILE  19  -2.836 -10.053   4.261
  133   2HG1  ILE  19          HG11      ILE  19  -1.776 -11.301   4.916
  134   1HG2  ILE  19          HG23      ILE  19  -1.773  -7.483   6.142
  135   2HG2  ILE  19          HG22      ILE  19  -2.702  -8.135   4.792
  136   3HG2  ILE  19          HG21      ILE  19  -3.447  -7.986   6.382
  137   1HD1  ILE  19          HD11      ILE  19  -4.179 -10.805   6.541
  138   2HD1  ILE  19          HD13      ILE  19  -4.524 -11.423   4.926
  139   3HD1  ILE  19          HD12      ILE  19  -3.475 -12.334   6.013
  140    H    ALA  20           HN       ALA  20  -0.592 -10.358   8.690
  141    HA   ALA  20           HA       ALA  20  -0.309  -7.880  10.027
  142   1HB   ALA  20           HB1      ALA  20   0.254 -10.736  10.778
  143   2HB   ALA  20           HB3      ALA  20   0.693  -9.435  11.884
  144   3HB   ALA  20           HB2      ALA  20  -0.989  -9.650  11.398
  145    H    GLU  21           HN       GLU  21   2.162 -10.176   8.898
  146    HA   GLU  21           HA       GLU  21   4.443  -9.026  10.065
  147   1HB   GLU  21           HB2      GLU  21   4.055 -11.057   8.323
  148   2HB   GLU  21           HB1      GLU  21   4.692  -9.839   7.216
  149   1HG   GLU  21           HG2      GLU  21   6.656 -10.845   7.976
  150   2HG   GLU  21           HG1      GLU  21   6.501  -9.488   9.091
  151    H    PHE  22           HN       PHE  22   2.632  -7.991   7.201
  152    HA   PHE  22           HA       PHE  22   4.544  -5.806   6.688
  153   1HB   PHE  22           HB2      PHE  22   1.995  -6.726   5.352
  154   2HB   PHE  22           HB1      PHE  22   2.796  -5.221   4.898
  155    HD1  PHE  22           HD2      PHE  22   5.222  -5.301   4.144
  156    HD2  PHE  22           HD1      PHE  22   2.807  -8.825   4.597
  157    HE1  PHE  22           HE2      PHE  22   6.815  -6.574   2.734
  158    HE2  PHE  22           HE1      PHE  22   4.402 -10.098   3.185
  159    HZ   PHE  22           HZ       PHE  22   6.405  -8.972   2.255
  160    H    LYS  23           HN       LYS  23   1.591  -6.335   8.410
  161    HA   LYS  23           HA       LYS  23   0.500  -3.702   8.379
  162   1HB   LYS  23           HB2      LYS  23  -0.248  -6.075   9.499
  163   2HB   LYS  23           HB1      LYS  23   0.289  -5.190  10.927
  164   1HG   LYS  23           HG2      LYS  23  -1.139  -3.247   9.708
  165   2HG   LYS  23           HG1      LYS  23  -2.017  -4.663   9.130
  166   1HD   LYS  23           HD2      LYS  23  -1.491  -5.084  11.892
  167   2HD   LYS  23           HD1      LYS  23  -2.116  -3.443  11.728
  168   1HE   LYS  23           HE2      LYS  23  -3.789  -4.781  10.049
  169   2HE   LYS  23           HE1      LYS  23  -3.465  -6.032  11.248
  170   1HZ   LYS  23           HZ3      LYS  23  -3.859  -3.745  12.701
  171   2HZ   LYS  23           HZ2      LYS  23  -5.040  -3.670  11.484
  172   3HZ   LYS  23           HZ1      LYS  23  -4.961  -5.020  12.512
  173    H    ALA  24           HN       ALA  24   3.413  -4.855   9.722
  174    HA   ALA  24           HA       ALA  24   3.590  -3.076  11.993
  175   1HB   ALA  24           HB1      ALA  24   5.022  -5.212  11.284
  176   2HB   ALA  24           HB3      ALA  24   6.048  -3.978  10.550
  177   3HB   ALA  24           HB2      ALA  24   5.718  -3.935  12.283
  178    H    ALA  25           HN       ALA  25   4.782  -2.897   8.636
  179    HA   ALA  25           HA       ALA  25   6.118  -0.389   8.907
  180   1HB   ALA  25           HB1      ALA  25   4.889  -1.830   6.555
  181   2HB   ALA  25           HB3      ALA  25   5.651  -0.250   6.371
  182   3HB   ALA  25           HB2      ALA  25   6.598  -1.624   6.944
  183    H    PHE  26           HN       PHE  26   2.756  -1.181   8.038
  184    HA   PHE  26           HA       PHE  26   2.026   1.605   7.620
  185   1HB   PHE  26           HB2      PHE  26   0.815  -0.300   6.551
  186   2HB   PHE  26           HB1      PHE  26   0.236  -0.786   8.144
  187    HD1  PHE  26           HD1      PHE  26   0.481   2.358   6.098
  188    HD2  PHE  26           HD2      PHE  26  -1.890  -0.062   8.739
  189    HE1  PHE  26           HE1      PHE  26  -1.381   3.986   5.919
  190    HE2  PHE  26           HE2      PHE  26  -3.752   1.566   8.561
  191    HZ   PHE  26           HZ       PHE  26  -3.498   3.590   7.150
  192    H    ASP  27           HN       ASP  27   2.211  -0.536  10.360
  193    HA   ASP  27           HA       ASP  27   0.365   0.634  12.134
  194   1HB   ASP  27           HB2      ASP  27   2.915  -0.862  12.415
  195   2HB   ASP  27           HB1      ASP  27   2.410   0.074  13.822
  196    H    MET  28           HN       MET  28   3.523   1.796  11.086
  197    HA   MET  28           HA       MET  28   4.096   3.737  13.006
  198   1HB   MET  28           HB2      MET  28   4.909   3.184  10.348
  199   2HB   MET  28           HB1      MET  28   4.481   4.895  10.398
  200   1HG   MET  28           HG2      MET  28   6.241   5.417  11.732
  201   2HG   MET  28           HG1      MET  28   6.015   3.986  12.738
  202   1HE   MET  28           HE1      MET  28   7.513   5.630   9.711
  203   2HE   MET  28           HE3      MET  28   8.651   5.600  11.065
  204   3HE   MET  28           HE2      MET  28   9.039   4.762   9.564
  205    H    PHE  29           HN       PHE  29   1.858   4.033  10.242
  206    HA   PHE  29           HA       PHE  29   1.016   6.705  11.159
  207   1HB   PHE  29           HB2      PHE  29   0.140   4.946   8.852
  208   2HB   PHE  29           HB1      PHE  29  -0.556   6.532   9.187
  209    HD1  PHE  29           HD2      PHE  29   1.397   8.378   9.741
  210    HD2  PHE  29           HD1      PHE  29   1.803   4.916   7.232
  211    HE1  PHE  29           HE2      PHE  29   3.285   9.461   8.555
  212    HE2  PHE  29           HE1      PHE  29   3.691   5.999   6.044
  213    HZ   PHE  29           HZ       PHE  29   4.432   8.272   6.705
  214    H    ASP  30           HN       ASP  30  -1.222   4.243   9.987
  215    HA   ASP  30           HA       ASP  30  -3.390   4.788  11.570
  216   1HB   ASP  30           HB2      ASP  30  -3.501   3.035   9.902
  217   2HB   ASP  30           HB1      ASP  30  -2.336   2.055  10.792
  218    H    ALA  31           HN       ALA  31  -2.923   5.460  13.691
  219    HA   ALA  31           HA       ALA  31  -2.686   3.367  15.670
  220   1HB   ALA  31           HB3      ALA  31  -0.254   4.802  14.798
  221   2HB   ALA  31           HB2      ALA  31  -0.499   4.754  16.544
  222   3HB   ALA  31           HB1      ALA  31  -0.411   3.252  15.624
  223    H    ASP  32           HN       ASP  32  -2.462   6.827  14.918
  224    HA   ASP  32           HA       ASP  32  -3.863   7.351  17.510
  225   1HB   ASP  32           HB2      ASP  32  -2.744   9.717  17.148
  226   2HB   ASP  32           HB1      ASP  32  -1.821   8.403  17.877
  227    H    GLY  33           HN       GLY  33  -4.582   7.040  14.440
  228   1HA   GLY  33           HA2      GLY  33  -6.814   8.870  14.535
  229   2HA   GLY  33           HA1      GLY  33  -5.580   9.443  13.413
  230    H    GLY  34           HN       GLY  34  -6.213   8.920  11.379
  231   1HA   GLY  34           HA2      GLY  34  -7.837   6.528  10.876
  232   2HA   GLY  34           HA1      GLY  34  -7.324   7.707   9.666
  233    H    GLY  35           HN       GLY  35  -4.586   7.694   9.947
  234   1HA   GLY  35           HA2      GLY  35  -2.652   6.236   9.880
  235   2HA   GLY  35           HA1      GLY  35  -3.739   4.856   9.730
  236    H    ASP  36           HN       ASP  36  -5.384   5.891   7.650
  237    HA   ASP  36           HA       ASP  36  -4.238   4.974   5.329
  238   1HB   ASP  36           HB2      ASP  36  -5.771   6.442   4.075
  239   2HB   ASP  36           HB1      ASP  36  -6.583   5.745   5.477
  240    H    ILE  37           HN       ILE  37  -2.198   5.446   4.656
  241    HA   ILE  37           HA       ILE  37  -0.873   7.952   5.099
  242    HB   ILE  37           HB       ILE  37   0.716   7.051   3.296
  243   1HG1  ILE  37          HG12      ILE  37  -0.899   4.519   3.608
  244   2HG1  ILE  37          HG11      ILE  37  -1.239   5.658   2.303
  245   1HG2  ILE  37          HG23      ILE  37   0.402   6.426   5.968
  246   2HG2  ILE  37          HG22      ILE  37   0.453   4.835   5.209
  247   3HG2  ILE  37          HG21      ILE  37   1.785   5.966   4.976
  248   1HD1  ILE  37          HD11      ILE  37   1.240   5.529   1.720
  249   2HD1  ILE  37          HD13      ILE  37   1.337   4.163   2.830
  250   3HD1  ILE  37          HD12      ILE  37   0.305   4.067   1.403
  251    H    SER  38           HN       SER  38  -0.562   9.710   3.694
  252    HA   SER  38           HA       SER  38  -2.513   9.864   1.454
  253   1HB   SER  38           HB2      SER  38  -1.129  12.333   1.864
  254   2HB   SER  38           HB1      SER  38  -2.825  11.973   2.172
  255    HG   SER  38           HG       SER  38  -2.067  12.446   4.139
  256    H    THR  39           HN       THR  39  -1.133  11.920   0.001
  257    HA   THR  39           HA       THR  39   0.779  10.228  -1.444
  258    HB   THR  39           HB       THR  39   0.803  11.956  -3.102
  259    HG1  THR  39           HG1      THR  39   0.962  13.863  -2.220
  260   1HG2  THR  39          HG22      THR  39  -1.617  10.881  -2.072
  261   2HG2  THR  39          HG21      THR  39  -1.945  12.549  -2.537
  262   3HG2  THR  39          HG23      THR  39  -1.286  11.417  -3.719
  263    H    LYS  40           HN       LYS  40   0.878  13.207   0.501
  264    HA   LYS  40           HA       LYS  40   3.751  13.537   0.166
  265   1HB   LYS  40           HB2      LYS  40   2.197  15.428   0.699
  266   2HB   LYS  40           HB1      LYS  40   1.933  14.714   2.289
  267   1HG   LYS  40           HG2      LYS  40   4.672  14.748   2.156
  268   2HG   LYS  40           HG1      LYS  40   4.256  16.214   1.267
  269   1HD   LYS  40           HD2      LYS  40   3.035  17.107   3.110
  270   2HD   LYS  40           HD1      LYS  40   3.038  15.559   3.956
  271   1HE   LYS  40           HE2      LYS  40   5.342  15.715   4.474
  272   2HE   LYS  40           HE1      LYS  40   5.612  16.977   3.270
  273   1HZ   LYS  40           HZ2      LYS  40   3.868  17.324   5.644
  274   2HZ   LYS  40           HZ1      LYS  40   5.506  17.772   5.612
  275   3HZ   LYS  40           HZ3      LYS  40   4.401  18.526   4.568
  276    H    GLU  41           HN       GLU  41   1.624  12.107   2.617
  277    HA   GLU  41           HA       GLU  41   3.847  11.489   4.413
  278   1HB   GLU  41           HB2      GLU  41   0.929  11.258   4.439
  279   2HB   GLU  41           HB1      GLU  41   1.724   9.844   5.132
  280   1HG   GLU  41           HG2      GLU  41   2.758  11.084   6.820
  281   2HG   GLU  41           HG1      GLU  41   2.648  12.594   5.914
  282    H    LEU  42           HN       LEU  42   2.488  10.093   1.603
  283    HA   LEU  42           HA       LEU  42   3.286   7.339   2.223
  284   1HB   LEU  42           HB2      LEU  42   1.414   7.510   0.766
  285   2HB   LEU  42           HB1      LEU  42   2.203   8.729  -0.233
  286    HG   LEU  42           HG       LEU  42   3.524   6.059   0.021
  287   1HD1  LEU  42          HD11      LEU  42   1.000   6.649  -1.534
  288   2HD1  LEU  42          HD13      LEU  42   2.112   5.367  -2.013
  289   3HD1  LEU  42          HD12      LEU  42   1.315   5.301  -0.442
  290   1HD2  LEU  42          HD23      LEU  42   3.330   8.326  -1.936
  291   2HD2  LEU  42          HD22      LEU  42   4.763   7.504  -1.322
  292   3HD2  LEU  42          HD21      LEU  42   3.751   6.722  -2.536
  293    H    GLY  43           HN       GLY  43   4.721  10.175   0.848
  294   1HA   GLY  43           HA2      GLY  43   6.797   8.766  -0.637
  295   2HA   GLY  43           HA1      GLY  43   6.769  10.495  -0.286
  296    H    THR  44           HN       THR  44   6.264   9.575   2.654
  297    HA   THR  44           HA       THR  44   9.084   9.683   3.418
  298    HB   THR  44           HB       THR  44   8.310   9.987   5.616
  299    HG1  THR  44           HG1      THR  44   5.941   8.667   4.786
  300   1HG2  THR  44          HG21      THR  44   6.974  11.322   3.512
  301   2HG2  THR  44          HG23      THR  44   5.750  10.966   4.732
  302   3HG2  THR  44          HG22      THR  44   7.192  11.883   5.170
  303    H    VAL  45           HN       VAL  45   6.858   7.211   2.673
  304    HA   VAL  45           HA       VAL  45   8.142   5.183   4.376
  305    HB   VAL  45           HB       VAL  45   5.975   5.034   2.260
  306   1HG1  VAL  45          HG13      VAL  45   7.190   2.841   3.968
  307   2HG1  VAL  45          HG12      VAL  45   5.711   2.668   3.024
  308   3HG1  VAL  45          HG11      VAL  45   7.249   2.952   2.209
  309   1HG2  VAL  45          HG22      VAL  45   6.082   5.401   5.170
  310   2HG2  VAL  45          HG21      VAL  45   4.753   5.700   4.051
  311   3HG2  VAL  45          HG23      VAL  45   5.026   4.076   4.681
  312    H    MET  46           HN       MET  46   7.955   6.024   0.922
  313    HA   MET  46           HA       MET  46   9.971   3.960   0.278
  314   1HB   MET  46           HB2      MET  46   7.883   5.220  -1.153
  315   2HB   MET  46           HB1      MET  46   9.384   5.761  -1.903
  316   1HG   MET  46           HG2      MET  46   9.425   3.783  -2.988
  317   2HG   MET  46           HG1      MET  46   9.804   3.043  -1.433
  318   1HE   MET  46           HE3      MET  46   7.854   3.319   0.320
  319   2HE   MET  46           HE2      MET  46   6.453   4.170  -0.325
  320   3HE   MET  46           HE1      MET  46   6.327   2.460   0.083
  321    H    ARG  47           HN       ARG  47   9.844   7.250   1.173
  322    HA   ARG  47           HA       ARG  47  12.079   8.295  -0.268
  323   1HB   ARG  47           HB2      ARG  47  10.735   9.886   0.866
  324   2HB   ARG  47           HB1      ARG  47  10.810   8.991   2.385
  325   1HG   ARG  47           HG2      ARG  47  13.040   9.644   2.795
  326   2HG   ARG  47           HG1      ARG  47  13.306  10.107   1.115
  327   1HD   ARG  47           HD2      ARG  47  12.797  12.221   1.711
  328   2HD   ARG  47           HD1      ARG  47  11.138  11.674   1.956
  329    HE   ARG  47           HE       ARG  47  12.328  11.001   4.331
  330   1HH1  ARG  47          HH21      ARG  47  13.996  13.443   3.059
  331   2HH1  ARG  47          HH22      ARG  47  13.416  14.701   4.097
  332   1HH2  ARG  47          HH11      ARG  47  10.829  12.795   5.402
  333   2HH2  ARG  47          HH12      ARG  47  11.624  14.335   5.427
  334    H    MET  48           HN       MET  48  11.854   6.632   2.880
  335    HA   MET  48           HA       MET  48  14.477   6.822   3.773
  336   1HB   MET  48           HB2      MET  48  12.308   4.878   4.071
  337   2HB   MET  48           HB1      MET  48  13.904   4.136   4.196
  338   1HG   MET  48           HG2      MET  48  14.534   5.513   6.009
  339   2HG   MET  48           HG1      MET  48  13.248   6.674   5.684
  340   1HE   MET  48           HE1      MET  48  10.865   5.711   5.277
  341   2HE   MET  48           HE3      MET  48  10.036   4.946   6.641
  342   3HE   MET  48           HE2      MET  48  10.813   6.515   6.843
  343    H    LEU  49           HN       LEU  49  13.524   3.824   2.109
  344    HA   LEU  49           HA       LEU  49  16.241   3.676   0.950
  345   1HB   LEU  49           HB2      LEU  49  14.162   1.621   0.338
  346   2HB   LEU  49           HB1      LEU  49  15.873   1.409   0.707
  347    HG   LEU  49           HG       LEU  49  15.008   2.419   3.071
  348   1HD1  LEU  49          HD12      LEU  49  12.634   2.183   1.849
  349   2HD1  LEU  49          HD11      LEU  49  12.782   0.530   2.444
  350   3HD1  LEU  49          HD13      LEU  49  12.823   1.882   3.576
  351   1HD2  LEU  49          HD23      LEU  49  15.162  -0.403   2.017
  352   2HD2  LEU  49          HD22      LEU  49  16.291   0.443   3.074
  353   3HD2  LEU  49          HD21      LEU  49  14.734  -0.098   3.701
  354    H    GLY  50           HN       GLY  50  15.594   5.661  -0.428
  355   1HA   GLY  50           HA2      GLY  50  15.138   4.830  -3.119
  356   2HA   GLY  50           HA1      GLY  50  13.636   5.494  -2.476
  357    H    GLN  51           HN       GLN  51  13.412   7.559  -3.154
  358    HA   GLN  51           HA       GLN  51  15.760   9.398  -2.889
  359   1HB   GLN  51           HB2      GLN  51  13.876  10.029  -5.067
  360   2HB   GLN  51           HB1      GLN  51  15.635  10.098  -5.059
  361   1HG   GLN  51           HG2      GLN  51  14.221   7.436  -5.125
  362   2HG   GLN  51           HG1      GLN  51  14.448   8.363  -6.604
  363   1HE2  GLN  51          HE22      GLN  51  17.467   6.114  -5.560
  364   2HE2  GLN  51          HE21      GLN  51  15.818   5.808  -5.294
  365    H    ASN  52           HN       ASN  52  15.063  11.629  -2.343
  366    HA   ASN  52           HA       ASN  52  12.597  11.685  -0.872
  367   1HB   ASN  52           HB2      ASN  52  14.093  14.034  -2.084
  368   2HB   ASN  52           HB1      ASN  52  12.915  14.114  -0.774
  369   1HD2  ASN  52          HD22      ASN  52  15.596  11.901   1.011
  370   2HD2  ASN  52          HD21      ASN  52  14.245  11.370   0.134
  371    HA   PRO  53           HA       PRO  53  10.183  12.208  -4.597
  372   1HB   PRO  53           HB2      PRO  53   7.789  11.628  -3.407
  373   2HB   PRO  53           HB1      PRO  53   8.988  10.392  -3.824
  374   1HG   PRO  53           HG2      PRO  53   8.214  11.374  -1.147
  375   2HG   PRO  53           HG1      PRO  53   9.084   9.898  -1.590
  376   1HD   PRO  53           HD2      PRO  53  10.189  12.397  -0.600
  377   2HD   PRO  53           HD1      PRO  53  11.034  10.874  -0.959
  378    H    THR  54           HN       THR  54   7.651  13.243  -4.652
  379    HA   THR  54           HA       THR  54   7.817  15.898  -3.278
  380    HB   THR  54           HB       THR  54   7.582  17.061  -5.231
  381    HG1  THR  54           HG1      THR  54   6.047  16.593  -6.639
  382   1HG2  THR  54          HG22      THR  54   9.398  15.259  -5.561
  383   2HG2  THR  54          HG21      THR  54   8.236  14.517  -6.661
  384   3HG2  THR  54          HG23      THR  54   8.826  16.149  -6.973
  385    H    LYS  55           HN       LYS  55   5.397  16.807  -4.467
  386    HA   LYS  55           HA       LYS  55   3.576  15.212  -2.838
  387   1HB   LYS  55           HB2      LYS  55   2.283  17.099  -2.663
  388   2HB   LYS  55           HB1      LYS  55   3.829  17.854  -3.030
  389   1HG   LYS  55           HG2      LYS  55   3.233  18.013  -5.393
  390   2HG   LYS  55           HG1      LYS  55   1.716  17.164  -5.091
  391   1HD   LYS  55           HD2      LYS  55   2.407  19.718  -3.638
  392   2HD   LYS  55           HD1      LYS  55   1.614  19.739  -5.212
  393   1HE   LYS  55           HE2      LYS  55  -0.107  18.133  -4.199
  394   2HE   LYS  55           HE1      LYS  55   0.593  18.540  -2.632
  395   1HZ   LYS  55           HZ1      LYS  55   0.262  20.963  -3.619
  396   2HZ   LYS  55           HZ3      LYS  55  -0.999  20.180  -4.438
  397   3HZ   LYS  55           HZ2      LYS  55  -0.951  20.163  -2.740
  398    H    GLU  56           HN       GLU  56   3.946  16.261  -6.189
  399    HA   GLU  56           HA       GLU  56   1.558  14.781  -6.973
  400   1HB   GLU  56           HB2      GLU  56   2.208  16.893  -8.119
  401   2HB   GLU  56           HB1      GLU  56   3.667  16.099  -8.710
  402   1HG   GLU  56           HG2      GLU  56   2.406  14.551 -10.027
  403   2HG   GLU  56           HG1      GLU  56   0.894  15.014  -9.245
  404    H    GLU  57           HN       GLU  57   4.853  14.088  -6.479
  405    HA   GLU  57           HA       GLU  57   5.263  12.079  -8.493
  406   1HB   GLU  57           HB2      GLU  57   6.740  13.200  -6.342
  407   2HB   GLU  57           HB1      GLU  57   6.701  11.456  -6.080
  408   1HG   GLU  57           HG2      GLU  57   7.339  12.607  -8.794
  409   2HG   GLU  57           HG1      GLU  57   8.595  12.405  -7.571
  410    H    LEU  58           HN       LEU  58   3.872  11.994  -5.235
  411    HA   LEU  58           HA       LEU  58   3.611   9.073  -5.279
  412   1HB   LEU  58           HB2      LEU  58   2.475  11.161  -3.395
  413   2HB   LEU  58           HB1      LEU  58   2.361   9.417  -3.154
  414    HG   LEU  58           HG       LEU  58   4.245  10.092  -1.869
  415   1HD1  LEU  58          HD11      LEU  58   4.522   8.212  -3.710
  416   2HD1  LEU  58          HD13      LEU  58   5.664   9.360  -4.405
  417   3HD1  LEU  58          HD12      LEU  58   5.913   8.750  -2.770
  418   1HD2  LEU  58          HD21      LEU  58   4.319  12.292  -3.446
  419   2HD2  LEU  58          HD23      LEU  58   5.655  11.819  -2.398
  420   3HD2  LEU  58          HD22      LEU  58   5.688  11.402  -4.112
  421    H    ASP  59           HN       ASP  59   1.905  11.693  -6.587
  422    HA   ASP  59           HA       ASP  59  -0.790  10.704  -6.346
  423   1HB   ASP  59           HB2      ASP  59   0.312  13.025  -7.255
  424   2HB   ASP  59           HB1      ASP  59  -0.098  12.238  -8.780
  425    H    ALA  60           HN       ALA  60   1.881   9.539  -8.070
  426    HA   ALA  60           HA       ALA  60   0.286   8.405 -10.281
  427   1HB   ALA  60           HB2      ALA  60   2.671   9.236 -10.561
  428   2HB   ALA  60           HB1      ALA  60   3.185   7.848  -9.602
  429   3HB   ALA  60           HB3      ALA  60   2.377   7.600 -11.150
  430    H    ILE  61           HN       ILE  61   2.477   7.006  -7.808
  431    HA   ILE  61           HA       ILE  61   1.634   4.326  -8.115
  432    HB   ILE  61           HB       ILE  61   2.232   5.366  -5.366
  433   1HG1  ILE  61          HG12      ILE  61   4.729   4.956  -6.408
  434   2HG1  ILE  61          HG11      ILE  61   3.908   5.733  -7.765
  435   1HG2  ILE  61          HG23      ILE  61   1.887   2.906  -6.075
  436   2HG2  ILE  61          HG22      ILE  61   3.471   3.048  -6.838
  437   3HG2  ILE  61          HG21      ILE  61   3.304   3.285  -5.099
  438   1HD1  ILE  61          HD11      ILE  61   3.101   7.111  -5.425
  439   2HD1  ILE  61          HD13      ILE  61   4.852   6.925  -5.327
  440   3HD1  ILE  61          HD12      ILE  61   4.126   7.713  -6.728
  441    H    ILE  62           HN       ILE  62   0.260   6.937  -6.143
  442    HA   ILE  62           HA       ILE  62  -1.684   5.305  -4.829
  443    HB   ILE  62           HB       ILE  62  -1.431   8.258  -5.352
  444   1HG1  ILE  62          HG12      ILE  62  -1.346   6.394  -2.977
  445   2HG1  ILE  62          HG11      ILE  62  -0.099   7.503  -3.544
  446   1HG2  ILE  62          HG21      ILE  62  -3.850   7.707  -5.541
  447   2HG2  ILE  62          HG23      ILE  62  -3.773   6.901  -3.974
  448   3HG2  ILE  62          HG22      ILE  62  -3.503   8.640  -4.085
  449   1HD1  ILE  62          HD13      ILE  62  -2.276   9.166  -3.060
  450   2HD1  ILE  62          HD12      ILE  62  -2.341   8.003  -1.737
  451   3HD1  ILE  62          HD11      ILE  62  -0.882   8.957  -2.001
  452    H    GLU  63           HN       GLU  63  -1.797   7.204  -7.841
  453    HA   GLU  63           HA       GLU  63  -4.489   6.957  -8.524
  454   1HB   GLU  63           HB2      GLU  63  -2.424   7.960  -9.836
  455   2HB   GLU  63           HB1      GLU  63  -2.423   6.381 -10.623
  456   1HG   GLU  63           HG2      GLU  63  -3.950   7.339 -12.014
  457   2HG   GLU  63           HG1      GLU  63  -5.081   6.996 -10.704
  458    H    GLU  64           HN       GLU  64  -2.095   4.455  -8.289
  459    HA   GLU  64           HA       GLU  64  -3.003   2.445  -9.965
  460   1HB   GLU  64           HB2      GLU  64  -1.162   2.485  -8.047
  461   2HB   GLU  64           HB1      GLU  64  -2.439   1.681  -7.132
  462   1HG   GLU  64           HG2      GLU  64  -1.027   0.017  -8.264
  463   2HG   GLU  64           HG1      GLU  64  -2.658  -0.001  -8.939
  464    H    VAL  65           HN       VAL  65  -4.254   2.956  -6.619
  465    HA   VAL  65           HA       VAL  65  -6.751   1.592  -7.543
  466    HB   VAL  65           HB       VAL  65  -6.986   0.951  -5.078
  467   1HG1  VAL  65          HG13      VAL  65  -5.978  -0.423  -7.120
  468   2HG1  VAL  65          HG12      VAL  65  -4.493  -0.289  -6.178
  469   3HG1  VAL  65          HG11      VAL  65  -5.915  -1.063  -5.478
  470   1HG2  VAL  65          HG21      VAL  65  -5.039   2.694  -4.586
  471   2HG2  VAL  65          HG23      VAL  65  -5.209   1.235  -3.610
  472   3HG2  VAL  65          HG22      VAL  65  -4.014   1.296  -4.906
  473    H    ASP  66           HN       ASP  66  -5.316   4.210  -5.733
  474    HA   ASP  66           HA       ASP  66  -6.616   5.693  -4.203
  475   1HB   ASP  66           HB2      ASP  66  -6.834   7.654  -5.624
  476   2HB   ASP  66           HB1      ASP  66  -5.386   6.760  -6.091
  477    H    GLU  67           HN       GLU  67  -8.459   4.012  -3.922
  478    HA   GLU  67           HA       GLU  67 -10.806   3.824  -5.329
  479   1HB   GLU  67           HB2      GLU  67 -10.340   4.076  -2.363
  480   2HB   GLU  67           HB1      GLU  67 -11.969   3.869  -3.006
  481   1HG   GLU  67           HG2      GLU  67 -11.365   1.651  -2.715
  482   2HG   GLU  67           HG1      GLU  67 -10.818   1.905  -4.372
  483    H    ASP  68           HN       ASP  68 -11.382   5.881  -2.567
  484    HA   ASP  68           HA       ASP  68 -12.265   8.042  -4.436
  485   1HB   ASP  68           HB2      ASP  68 -13.638   6.860  -2.023
  486   2HB   ASP  68           HB1      ASP  68 -14.027   8.485  -2.589
  487    H    GLY  69           HN       GLY  69 -10.019   7.315  -2.179
  488   1HA   GLY  69           HA2      GLY  69 -10.160   9.927  -0.768
  489   2HA   GLY  69           HA1      GLY  69  -9.090   8.588  -0.341
  490    H    SER  70           HN       SER  70  -9.635   9.900  -3.557
  491    HA   SER  70           HA       SER  70  -7.356   9.896  -4.849
  492   1HB   SER  70           HB2      SER  70  -8.997  11.257  -5.825
  493   2HB   SER  70           HB1      SER  70  -9.101  12.305  -4.413
  494    HG   SER  70           HG       SER  70  -6.986  12.093  -6.294
  495    H    GLY  71           HN       GLY  71  -5.631   9.569  -3.230
  496   1HA   GLY  71           HA2      GLY  71  -3.573  11.172  -3.037
  497   2HA   GLY  71           HA1      GLY  71  -4.652  12.107  -2.005
  498    H    THR  72           HN       THR  72  -5.461   8.924  -1.513
  499    HA   THR  72           HA       THR  72  -3.294   8.258   0.347
  500    HB   THR  72           HB       THR  72  -4.340   9.585   1.944
  501    HG1  THR  72           HG1      THR  72  -6.058   7.385   2.221
  502   1HG2  THR  72          HG21      THR  72  -6.860   8.919   0.436
  503   2HG2  THR  72          HG23      THR  72  -6.934   9.598   2.061
  504   3HG2  THR  72          HG22      THR  72  -6.155  10.503   0.763
  505    H    ILE  73           HN       ILE  73  -3.796   6.131   1.465
  506    HA   ILE  73           HA       ILE  73  -5.888   4.527   0.102
  507    HB   ILE  73           HB       ILE  73  -3.181   3.279   0.313
  508   1HG1  ILE  73          HG12      ILE  73  -2.846   4.174  -2.121
  509   2HG1  ILE  73          HG11      ILE  73  -3.946   5.458  -1.621
  510   1HG2  ILE  73          HG22      ILE  73  -5.734   2.851  -1.020
  511   2HG2  ILE  73          HG21      ILE  73  -4.386   2.765  -2.155
  512   3HG2  ILE  73          HG23      ILE  73  -4.415   1.713  -0.740
  513   1HD1  ILE  73          HD11      ILE  73  -1.988   5.036   0.444
  514   2HD1  ILE  73          HD13      ILE  73  -1.164   5.268  -1.099
  515   3HD1  ILE  73          HD12      ILE  73  -2.287   6.491  -0.506
  516    H    ASP  74           HN       ASP  74  -5.792   2.188   1.149
  517    HA   ASP  74           HA       ASP  74  -5.501   2.614   4.090
  518   1HB   ASP  74           HB2      ASP  74  -7.514   1.361   2.446
  519   2HB   ASP  74           HB1      ASP  74  -6.853   0.179   3.575
  520    H    PHE  75           HN       PHE  75  -5.116   0.258   5.171
  521    HA   PHE  75           HA       PHE  75  -2.471  -0.525   4.246
  522   1HB   PHE  75           HB2      PHE  75  -2.232  -1.421   6.324
  523   2HB   PHE  75           HB1      PHE  75  -3.721  -0.560   6.691
  524    HD1  PHE  75           HD2      PHE  75  -5.920  -1.936   5.785
  525    HD2  PHE  75           HD1      PHE  75  -2.165  -3.643   6.987
  526    HE1  PHE  75           HE2      PHE  75  -7.046  -4.097   6.244
  527    HE2  PHE  75           HE1      PHE  75  -3.292  -5.803   7.446
  528    HZ   PHE  75           HZ       PHE  75  -5.734  -6.029   7.074
  529    H    GLU  76           HN       GLU  76  -5.680  -1.546   3.600
  530    HA   GLU  76           HA       GLU  76  -5.031  -4.287   2.861
  531   1HB   GLU  76           HB2      GLU  76  -7.388  -2.733   3.181
  532   2HB   GLU  76           HB1      GLU  76  -7.377  -3.312   1.513
  533   1HG   GLU  76           HG2      GLU  76  -7.380  -5.558   2.151
  534   2HG   GLU  76           HG1      GLU  76  -6.705  -5.209   3.743
  535    H    GLU  77           HN       GLU  77  -5.982  -1.428   0.907
  536    HA   GLU  77           HA       GLU  77  -5.256  -2.605  -1.596
  537   1HB   GLU  77           HB2      GLU  77  -5.867   0.134  -0.607
  538   2HB   GLU  77           HB1      GLU  77  -4.950   0.029  -2.111
  539   1HG   GLU  77           HG2      GLU  77  -7.026  -0.161  -3.048
  540   2HG   GLU  77           HG1      GLU  77  -6.852  -1.853  -2.576
  541    H    PHE  78           HN       PHE  78  -3.444  -0.618   0.716
  542    HA   PHE  78           HA       PHE  78  -1.106  -0.215  -0.847
  543   1HB   PHE  78           HB2      PHE  78  -1.661   0.867   1.378
  544   2HB   PHE  78           HB1      PHE  78  -1.178  -0.642   2.151
  545    HD1  PHE  78           HD2      PHE  78   0.198   1.367  -0.707
  546    HD2  PHE  78           HD1      PHE  78   0.934  -0.451   3.114
  547    HE1  PHE  78           HE2      PHE  78   2.576   2.059  -0.836
  548    HE2  PHE  78           HE1      PHE  78   3.312   0.240   2.985
  549    HZ   PHE  78           HZ       PHE  78   4.133   1.497   1.011
  550    H    LEU  79           HN       LEU  79  -2.321  -3.059   0.736
  551    HA   LEU  79           HA       LEU  79   0.299  -4.421   0.632
  552   1HB   LEU  79           HB2      LEU  79  -2.346  -4.949   1.854
  553   2HB   LEU  79           HB1      LEU  79  -1.489  -6.376   1.271
  554    HG   LEU  79           HG       LEU  79   0.124  -4.400   2.800
  555   1HD1  LEU  79          HD12      LEU  79  -2.301  -5.693   3.861
  556   2HD1  LEU  79          HD11      LEU  79  -0.851  -5.999   4.817
  557   3HD1  LEU  79          HD13      LEU  79  -1.371  -4.342   4.510
  558   1HD2  LEU  79          HD21      LEU  79  -0.115  -7.424   2.727
  559   2HD2  LEU  79          HD23      LEU  79   1.136  -6.450   1.955
  560   3HD2  LEU  79          HD22      LEU  79   1.050  -6.543   3.714
  561    H    VAL  80           HN       VAL  80  -2.611  -4.131  -1.254
  562    HA   VAL  80           HA       VAL  80  -2.488  -6.552  -2.740
  563    HB   VAL  80           HB       VAL  80  -3.388  -3.796  -3.631
  564   1HG1  VAL  80          HG12      VAL  80  -2.864  -5.829  -5.311
  565   2HG1  VAL  80          HG11      VAL  80  -4.484  -6.307  -4.801
  566   3HG1  VAL  80          HG13      VAL  80  -4.226  -4.735  -5.556
  567   1HG2  VAL  80          HG23      VAL  80  -4.719  -6.110  -2.228
  568   2HG2  VAL  80          HG22      VAL  80  -4.758  -4.397  -1.810
  569   3HG2  VAL  80          HG21      VAL  80  -5.668  -4.986  -3.202
  570    H    MET  81           HN       MET  81  -1.148  -3.346  -3.594
  571    HA   MET  81           HA       MET  81   0.179  -4.003  -5.956
  572   1HB   MET  81           HB2      MET  81   1.745  -2.408  -3.966
  573   2HB   MET  81           HB1      MET  81   1.459  -2.093  -5.676
  574   1HG   MET  81           HG2      MET  81  -0.974  -1.652  -5.045
  575   2HG   MET  81           HG1      MET  81  -0.433  -1.651  -3.365
  576   1HE   MET  81           HE3      MET  81   1.985  -0.640  -2.978
  577   2HE   MET  81           HE2      MET  81   2.148   1.106  -3.148
  578   3HE   MET  81           HE1      MET  81   0.814   0.439  -2.211
  579    H    MET  82           HN       MET  82   1.516  -4.302  -2.656
  580    HA   MET  82           HA       MET  82   3.993  -5.375  -3.185
  581   1HB   MET  82           HB2      MET  82   1.984  -5.898  -1.032
  582   2HB   MET  82           HB1      MET  82   3.406  -6.938  -1.114
  583   1HG   MET  82           HG2      MET  82   3.783  -3.973  -1.302
  584   2HG   MET  82           HG1      MET  82   3.475  -4.689   0.279
  585   1HE   MET  82           HE3      MET  82   5.625  -4.170  -2.672
  586   2HE   MET  82           HE2      MET  82   6.273  -3.236  -1.327
  587   3HE   MET  82           HE1      MET  82   7.254  -4.499  -2.065
  588    H    VAL  83           HN       VAL  83   1.126  -7.464  -2.655
  589    HA   VAL  83           HA       VAL  83   2.218  -9.888  -3.486
  590    HB   VAL  83           HB       VAL  83  -0.572  -8.907  -4.172
  591   1HG1  VAL  83          HG12      VAL  83   0.404 -11.109  -5.156
  592   2HG1  VAL  83          HG11      VAL  83   0.267 -11.725  -3.510
  593   3HG1  VAL  83          HG13      VAL  83  -1.171 -11.175  -4.368
  594   1HG2  VAL  83          HG22      VAL  83   0.728  -9.756  -1.625
  595   2HG2  VAL  83          HG21      VAL  83  -0.592  -8.616  -1.887
  596   3HG2  VAL  83          HG23      VAL  83  -0.904 -10.351  -1.931
  597    H    ARG  84           HN       ARG  84   0.472  -7.593  -5.617
  598    HA   ARG  84           HA       ARG  84   1.144  -8.958  -8.042
  599   1HB   ARG  84           HB2      ARG  84  -0.038  -6.370  -7.278
  600   2HB   ARG  84           HB1      ARG  84   0.842  -6.334  -8.806
  601   1HG   ARG  84           HG2      ARG  84  -0.527  -7.984  -9.779
  602   2HG   ARG  84           HG1      ARG  84  -1.112  -8.549  -8.213
  603   1HD   ARG  84           HD2      ARG  84  -2.935  -7.298  -8.945
  604   2HD   ARG  84           HD1      ARG  84  -2.049  -6.092  -8.011
  605    HE   ARG  84           HE       ARG  84  -0.988  -5.651 -10.439
  606   1HH1  ARG  84          HH21      ARG  84  -3.330  -7.214 -11.600
  607   2HH1  ARG  84          HH22      ARG  84  -4.435  -5.935 -11.973
  608   1HH2  ARG  84          HH11      ARG  84  -2.798  -3.591 -10.009
  609   2HH2  ARG  84          HH12      ARG  84  -4.135  -3.883 -11.072
  610    H    GLN  85           HN       GLN  85   2.274  -5.641  -7.573
  611    HA   GLN  85           HA       GLN  85   4.771  -6.239  -8.922
  612   1HB   GLN  85           HB2      GLN  85   3.340  -3.957  -8.559
  613   2HB   GLN  85           HB1      GLN  85   4.583  -3.749  -7.325
  614   1HG   GLN  85           HG2      GLN  85   6.201  -3.393  -8.866
  615   2HG   GLN  85           HG1      GLN  85   5.656  -4.741  -9.863
  616   1HE2  GLN  85          HE22      GLN  85   5.031  -1.627 -11.809
  617   2HE2  GLN  85          HE21      GLN  85   6.403  -2.423 -11.205
  618    H    MET  86           HN       MET  86   5.910  -7.769  -7.679
  619    HA   MET  86           HA       MET  86   6.447  -7.170  -4.836
  620   1HB   MET  86           HB2      MET  86   6.496  -9.524  -6.535
  621   2HB   MET  86           HB1      MET  86   8.001  -9.371  -5.629
  622   1HG   MET  86           HG2      MET  86   6.923  -9.479  -3.558
  623   2HG   MET  86           HG1      MET  86   5.375  -8.963  -4.227
  624   1HE   MET  86           HE3      MET  86   4.491 -10.501  -2.738
  625   2HE   MET  86           HE2      MET  86   4.052 -12.153  -3.164
  626   3HE   MET  86           HE1      MET  86   5.546 -11.846  -2.283
  627    H    LYS  87           HN       LYS  87   8.217  -6.032  -4.227
  628    HA   LYS  87           HA       LYS  87  10.160  -5.110  -6.154
  629   1HB   LYS  87           HB2      LYS  87   9.644  -4.770  -3.266
  630   2HB   LYS  87           HB1      LYS  87  11.343  -4.657  -3.725
  631   1HG   LYS  87           HG2      LYS  87  10.894  -2.900  -5.295
  632   2HG   LYS  87           HG1      LYS  87   9.153  -3.140  -5.158
  633   1HD   LYS  87           HD2      LYS  87   9.213  -2.417  -2.813
  634   2HD   LYS  87           HD1      LYS  87  10.964  -2.226  -2.904
  635   1HE   LYS  87           HE2      LYS  87  10.229  -0.041  -3.286
  636   2HE   LYS  87           HE1      LYS  87  10.417  -0.651  -4.930
  637   1HZ   LYS  87           HZ1      LYS  87   7.845  -1.196  -3.748
  638   2HZ   LYS  87           HZ3      LYS  87   8.170   0.457  -3.948
  639   3HZ   LYS  87           HZ2      LYS  87   8.228  -0.587  -5.287
  640    H    GLU  88           HN       GLU  88  10.021  -7.790  -3.890
  641    HA   GLU  88           HA       GLU  88  12.848  -8.444  -4.075
  642   1HB   GLU  88           HB2      GLU  88  10.454 -10.083  -3.184
  643   2HB   GLU  88           HB1      GLU  88  12.134 -10.601  -3.023
  644   1HG   GLU  88           HG2      GLU  88  12.118  -8.027  -1.949
  645   2HG   GLU  88           HG1      GLU  88  10.611  -8.739  -1.373
  646    H    ASP  89           HN       ASP  89  10.410  -8.585  -6.325
  647    HA   ASP  89           HA       ASP  89  10.482  -9.496  -8.504
  648   1HB   ASP  89           HB2      ASP  89  13.065  -9.712  -7.848
  649   2HB   ASP  89           HB1      ASP  89  12.650 -11.426  -7.797
  650    H    ALA  90           HN       ALA  90  11.594 -12.248  -6.503
  651    HA   ALA  90           HA       ALA  90  10.608 -14.370  -6.235
  652   1HB   ALA  90           HB1      ALA  90   8.602 -12.310  -5.597
  653   2HB   ALA  90           HB3      ALA  90   7.912 -13.883  -5.990
  654   3HB   ALA  90           HB2      ALA  90   9.080 -13.736  -4.676
   
  No H/Q in entry =         654
  Start of MODEL   14
    1   1H    ALA   1           HT1      ALA   1 -13.371  -4.899 -12.974
    2   2H    ALA   1           HT3      ALA   1 -13.927  -6.500 -12.931
    3   3H    ALA   1           HT2      ALA   1 -14.912  -5.278 -13.580
    4    HA   ALA   1           HA       ALA   1 -15.810  -4.901 -11.611
    5   1HB   ALA   1           HB2      ALA   1 -14.609  -7.398 -11.372
    6   2HB   ALA   1           HB1      ALA   1 -14.043  -6.532  -9.944
    7   3HB   ALA   1           HB3      ALA   1 -15.773  -6.704 -10.243
    8    H    SER   2           HN       SER   2 -15.362  -3.975  -9.372
    9    HA   SER   2           HA       SER   2 -13.346  -1.913  -9.577
   10   1HB   SER   2           HB2      SER   2 -15.642  -2.258  -8.084
   11   2HB   SER   2           HB1      SER   2 -14.375  -2.470  -6.879
   12    HG   SER   2           HG       SER   2 -13.485  -0.475  -8.036
   13    H    MET   3           HN       MET   3 -12.543  -2.057  -6.719
   14    HA   MET   3           HA       MET   3 -10.365  -4.052  -7.075
   15   1HB   MET   3           HB2      MET   3 -10.556  -1.939  -4.919
   16   2HB   MET   3           HB1      MET   3  -9.115  -2.781  -5.490
   17   1HG   MET   3           HG2      MET   3  -8.783  -1.041  -6.887
   18   2HG   MET   3           HG1      MET   3 -10.186  -1.611  -7.791
   19   1HE   MET   3           HE1      MET   3  -9.072  -0.176  -4.684
   20   2HE   MET   3           HE3      MET   3  -9.584   1.518  -4.706
   21   3HE   MET   3           HE2      MET   3 -10.608   0.294  -3.959
   22    H    THR   4           HN       THR   4 -13.193  -4.657  -6.198
   23    HA   THR   4           HA       THR   4 -13.009  -5.334  -3.370
   24    HB   THR   4           HB       THR   4 -14.980  -6.035  -5.556
   25    HG1  THR   4           HG1      THR   4 -14.936  -3.913  -4.597
   26   1HG2  THR   4          HG22      THR   4 -14.567  -7.239  -2.897
   27   2HG2  THR   4          HG21      THR   4 -16.218  -6.700  -3.210
   28   3HG2  THR   4          HG23      THR   4 -15.448  -7.861  -4.292
   29    H    ASP   5           HN       ASP   5 -14.102  -7.812  -5.588
   30    HA   ASP   5           HA       ASP   5 -12.816  -9.957  -4.378
   31   1HB   ASP   5           HB2      ASP   5 -14.305  -9.613  -6.699
   32   2HB   ASP   5           HB1      ASP   5 -12.753 -10.198  -7.298
   33    H    GLN   6           HN       GLN   6 -11.465  -7.511  -6.447
   34    HA   GLN   6           HA       GLN   6  -9.045  -8.787  -7.227
   35   1HB   GLN   6           HB2      GLN   6 -10.198  -6.200  -7.387
   36   2HB   GLN   6           HB1      GLN   6  -8.611  -6.001  -6.644
   37   1HG   GLN   6           HG2      GLN   6  -7.510  -7.060  -8.481
   38   2HG   GLN   6           HG1      GLN   6  -9.034  -7.654  -9.141
   39   1HE2  GLN   6          HE22      GLN   6  -7.810  -4.356 -10.745
   40   2HE2  GLN   6          HE21      GLN   6  -6.905  -5.709 -10.266
   41    H    GLN   7           HN       GLN   7  -9.678  -6.615  -4.455
   42    HA   GLN   7           HA       GLN   7  -7.085  -7.055  -3.266
   43   1HB   GLN   7           HB2      GLN   7  -8.202  -5.054  -2.640
   44   2HB   GLN   7           HB1      GLN   7  -9.691  -5.912  -2.248
   45   1HG   GLN   7           HG2      GLN   7  -7.220  -6.670  -0.752
   46   2HG   GLN   7           HG1      GLN   7  -7.992  -5.138  -0.341
   47   1HE2  GLN   7          HE22      GLN   7 -11.154  -6.994   0.418
   48   2HE2  GLN   7          HE21      GLN   7 -10.716  -5.785  -0.690
   49    H    ALA   8           HN       ALA   8  -9.886  -8.986  -3.449
   50    HA   ALA   8           HA       ALA   8  -9.528 -10.348  -0.885
   51   1HB   ALA   8           HB3      ALA   8 -11.576 -10.195  -2.772
   52   2HB   ALA   8           HB2      ALA   8 -10.987 -11.850  -2.919
   53   3HB   ALA   8           HB1      ALA   8 -11.545 -11.250  -1.358
   54    H    GLU   9           HN       GLU   9  -8.210 -10.611  -4.075
   55    HA   GLU   9           HA       GLU   9  -7.382 -13.402  -3.783
   56   1HB   GLU   9           HB2      GLU   9  -6.545 -11.263  -5.765
   57   2HB   GLU   9           HB1      GLU   9  -6.109 -12.969  -5.873
   58   1HG   GLU   9           HG2      GLU   9  -8.711 -13.341  -5.678
   59   2HG   GLU   9           HG1      GLU   9  -8.790 -11.673  -6.246
   60    H    ALA  10           HN       ALA  10  -5.892 -10.207  -3.390
   61    HA   ALA  10           HA       ALA  10  -3.214 -11.161  -2.994
   62   1HB   ALA  10           HB3      ALA  10  -4.626  -8.640  -2.826
   63   2HB   ALA  10           HB2      ALA  10  -3.528  -8.821  -1.459
   64   3HB   ALA  10           HB1      ALA  10  -2.910  -8.933  -3.107
   65    H    ARG  11           HN       ARG  11  -5.875 -10.474  -0.726
   66    HA   ARG  11           HA       ARG  11  -4.456 -10.911   1.686
   67   1HB   ARG  11           HB2      ARG  11  -7.007 -10.244   1.124
   68   2HB   ARG  11           HB1      ARG  11  -7.242 -11.947   1.522
   69   1HG   ARG  11           HG2      ARG  11  -6.724 -11.640   3.723
   70   2HG   ARG  11           HG1      ARG  11  -5.473 -10.449   3.363
   71   1HD   ARG  11           HD2      ARG  11  -6.900  -8.714   3.624
   72   2HD   ARG  11           HD1      ARG  11  -8.162  -9.509   2.684
   73    HE   ARG  11           HE       ARG  11  -8.002 -10.823   5.197
   74   1HH1  ARG  11          HH11      ARG  11  -9.216  -8.071   3.554
   75   2HH1  ARG  11          HH12      ARG  11 -10.178  -7.522   4.886
   76   1HH2  ARG  11          HH21      ARG  11  -9.070  -9.999   7.047
   77   2HH2  ARG  11          HH22      ARG  11 -10.096  -8.614   6.865
   78    H    ALA  12           HN       ALA  12  -6.122 -13.242  -0.435
   79    HA   ALA  12           HA       ALA  12  -5.929 -15.572   1.065
   80   1HB   ALA  12           HB2      ALA  12  -6.668 -15.112  -1.456
   81   2HB   ALA  12           HB1      ALA  12  -5.049 -15.729  -1.788
   82   3HB   ALA  12           HB3      ALA  12  -6.212 -16.728  -0.917
   83    H    PHE  13           HN       PHE  13  -3.334 -13.930  -0.709
   84    HA   PHE  13           HA       PHE  13  -1.384 -16.016  -0.074
   85   1HB   PHE  13           HB2      PHE  13  -1.081 -14.733  -2.118
   86   2HB   PHE  13           HB1      PHE  13  -1.070 -13.222  -1.211
   87    HD1  PHE  13           HD1      PHE  13   0.755 -16.434  -1.695
   88    HD2  PHE  13           HD2      PHE  13   0.915 -12.419  -0.177
   89    HE1  PHE  13           HE1      PHE  13   3.196 -16.669  -1.330
   90    HE2  PHE  13           HE2      PHE  13   3.357 -12.655   0.188
   91    HZ   PHE  13           HZ       PHE  13   4.498 -14.780  -0.389
   92    H    LEU  14           HN       LEU  14  -2.363 -12.896   1.248
   93    HA   LEU  14           HA       LEU  14  -0.145 -12.935   3.201
   94   1HB   LEU  14           HB2      LEU  14  -2.477 -11.009   2.996
   95   2HB   LEU  14           HB1      LEU  14  -0.989 -10.774   3.914
   96    HG   LEU  14           HG       LEU  14  -0.475 -11.416   1.108
   97   1HD1  LEU  14          HD12      LEU  14  -2.608  -9.558   1.696
   98   2HD1  LEU  14          HD11      LEU  14  -1.247  -8.698   0.976
   99   3HD1  LEU  14          HD13      LEU  14  -1.979 -10.057   0.125
  100   1HD2  LEU  14          HD22      LEU  14   0.273  -9.198   3.033
  101   2HD2  LEU  14          HD21      LEU  14   1.272 -10.558   2.521
  102   3HD2  LEU  14          HD23      LEU  14   0.876  -9.274   1.377
  103    H    SER  15           HN       SER  15  -0.899 -14.989   4.209
  104    HA   SER  15           HA       SER  15  -3.407 -15.391   5.420
  105   1HB   SER  15           HB2      SER  15  -0.781 -16.556   5.606
  106   2HB   SER  15           HB1      SER  15  -1.457 -16.390   7.224
  107    HG   SER  15           HG       SER  15  -2.613 -17.661   4.964
  108    H    GLU  16           HN       GLU  16  -3.612 -15.418   7.979
  109    HA   GLU  16           HA       GLU  16  -3.587 -12.679   8.840
  110   1HB   GLU  16           HB2      GLU  16  -4.712 -15.095   9.743
  111   2HB   GLU  16           HB1      GLU  16  -3.666 -14.552  11.055
  112   1HG   GLU  16           HG2      GLU  16  -5.053 -12.847  11.574
  113   2HG   GLU  16           HG1      GLU  16  -5.178 -12.348   9.886
  114    H    GLU  17           HN       GLU  17  -1.145 -15.048   8.735
  115    HA   GLU  17           HA       GLU  17   0.378 -14.008  11.019
  116   1HB   GLU  17           HB2      GLU  17   2.128 -15.584  10.246
  117   2HB   GLU  17           HB1      GLU  17   0.563 -16.384  10.404
  118   1HG   GLU  17           HG2      GLU  17   0.305 -16.639   8.132
  119   2HG   GLU  17           HG1      GLU  17   1.206 -15.170   7.760
  120    H    MET  18           HN       MET  18   0.102 -13.385   7.610
  121    HA   MET  18           HA       MET  18   2.690 -12.026   7.408
  122   1HB   MET  18           HB2      MET  18   0.305 -12.308   5.575
  123   2HB   MET  18           HB1      MET  18   1.651 -11.239   5.181
  124   1HG   MET  18           HG2      MET  18   2.304 -14.030   6.019
  125   2HG   MET  18           HG1      MET  18   1.630 -13.796   4.406
  126   1HE   MET  18           HE1      MET  18   3.969 -15.095   4.143
  127   2HE   MET  18           HE3      MET  18   3.527 -14.167   2.704
  128   3HE   MET  18           HE2      MET  18   5.190 -14.156   3.286
  129    H    ILE  19           HN       ILE  19  -0.736 -11.050   7.574
  130    HA   ILE  19           HA       ILE  19  -0.157  -8.217   7.541
  131    HB   ILE  19           HB       ILE  19  -2.599  -9.712   8.542
  132   1HG1  ILE  19          HG12      ILE  19  -3.343  -8.601   6.202
  133   2HG1  ILE  19          HG11      ILE  19  -1.627  -8.838   5.864
  134   1HG2  ILE  19          HG22      ILE  19  -1.976  -7.109   9.063
  135   2HG2  ILE  19          HG21      ILE  19  -2.810  -6.944   7.518
  136   3HG2  ILE  19          HG23      ILE  19  -3.626  -7.705   8.883
  137   1HD1  ILE  19          HD13      ILE  19  -3.152 -11.092   7.110
  138   2HD1  ILE  19          HD12      ILE  19  -3.382 -10.774   5.390
  139   3HD1  ILE  19          HD11      ILE  19  -1.773 -11.145   6.011
  140    H    ALA  20           HN       ALA  20  -1.131 -10.435  10.177
  141    HA   ALA  20           HA       ALA  20  -1.039  -8.708  12.342
  142   1HB   ALA  20           HB3      ALA  20  -1.474 -11.231  12.348
  143   2HB   ALA  20           HB2      ALA  20   0.278 -11.430  12.416
  144   3HB   ALA  20           HB1      ALA  20  -0.567 -10.599  13.723
  145    H    GLU  21           HN       GLU  21   1.641  -9.874  10.415
  146    HA   GLU  21           HA       GLU  21   3.662  -8.860  12.295
  147   1HB   GLU  21           HB2      GLU  21   4.057 -10.865  10.832
  148   2HB   GLU  21           HB1      GLU  21   4.012  -9.795   9.431
  149   1HG   GLU  21           HG2      GLU  21   5.938  -8.574  10.200
  150   2HG   GLU  21           HG1      GLU  21   5.903  -9.397  11.761
  151    H    PHE  22           HN       PHE  22   2.324  -7.951   9.120
  152    HA   PHE  22           HA       PHE  22   3.959  -5.528   8.993
  153   1HB   PHE  22           HB2      PHE  22   2.801  -7.013   7.069
  154   2HB   PHE  22           HB1      PHE  22   1.531  -5.809   7.292
  155    HD1  PHE  22           HD2      PHE  22   5.290  -5.848   7.192
  156    HD2  PHE  22           HD1      PHE  22   1.657  -3.969   5.881
  157    HE1  PHE  22           HE2      PHE  22   6.611  -4.207   5.884
  158    HE2  PHE  22           HE1      PHE  22   2.978  -2.327   4.574
  159    HZ   PHE  22           HZ       PHE  22   5.454  -2.446   4.574
  160    H    LYS  23           HN       LYS  23   1.520  -6.276  10.986
  161    HA   LYS  23           HA       LYS  23  -0.274  -4.030  10.663
  162   1HB   LYS  23           HB2      LYS  23  -0.955  -6.049  11.889
  163   2HB   LYS  23           HB1      LYS  23   0.302  -5.755  13.092
  164   1HG   LYS  23           HG2      LYS  23  -1.079  -3.334  12.951
  165   2HG   LYS  23           HG1      LYS  23  -2.346  -4.559  12.865
  166   1HD   LYS  23           HD2      LYS  23  -0.201  -4.316  14.994
  167   2HD   LYS  23           HD1      LYS  23  -1.931  -4.045  15.203
  168   1HE   LYS  23           HE2      LYS  23  -1.868  -6.574  14.110
  169   2HE   LYS  23           HE1      LYS  23  -0.429  -6.571  15.130
  170   1HZ   LYS  23           HZ3      LYS  23  -2.672  -5.350  16.412
  171   2HZ   LYS  23           HZ2      LYS  23  -2.995  -6.959  15.970
  172   3HZ   LYS  23           HZ1      LYS  23  -1.663  -6.598  16.961
  173    H    ALA  24           HN       ALA  24   2.829  -4.479  12.186
  174    HA   ALA  24           HA       ALA  24   2.601  -2.006  13.767
  175   1HB   ALA  24           HB3      ALA  24   4.312  -4.320  13.750
  176   2HB   ALA  24           HB2      ALA  24   5.303  -2.867  13.619
  177   3HB   ALA  24           HB1      ALA  24   4.187  -3.054  14.973
  178    H    ALA  25           HN       ALA  25   4.285  -3.148  10.850
  179    HA   ALA  25           HA       ALA  25   5.671  -0.644  10.403
  180   1HB   ALA  25           HB3      ALA  25   5.208  -3.160   8.858
  181   2HB   ALA  25           HB2      ALA  25   5.687  -1.722   7.956
  182   3HB   ALA  25           HB1      ALA  25   6.723  -2.342   9.242
  183    H    PHE  26           HN       PHE  26   2.463  -1.787   9.780
  184    HA   PHE  26           HA       PHE  26   1.936   0.257   7.719
  185   1HB   PHE  26           HB2      PHE  26   0.861  -2.187   8.100
  186   2HB   PHE  26           HB1      PHE  26  -0.300  -1.222   9.013
  187    HD1  PHE  26           HD1      PHE  26  -0.602   1.243   7.646
  188    HD2  PHE  26           HD2      PHE  26   0.063  -2.651   5.962
  189    HE1  PHE  26           HE1      PHE  26  -1.658   1.980   5.526
  190    HE2  PHE  26           HE2      PHE  26  -0.992  -1.915   3.843
  191    HZ   PHE  26           HZ       PHE  26  -1.853   0.401   3.624
  192    H    ASP  27           HN       ASP  27   0.985  -0.422  11.091
  193    HA   ASP  27           HA       ASP  27  -0.431   2.157  11.258
  194   1HB   ASP  27           HB2      ASP  27   0.030  -0.133  13.170
  195   2HB   ASP  27           HB1      ASP  27  -0.650   1.398  13.722
  196    H    MET  28           HN       MET  28   2.688   1.572  11.065
  197    HA   MET  28           HA       MET  28   3.874   2.618  13.435
  198   1HB   MET  28           HB2      MET  28   5.060   1.496  11.479
  199   2HB   MET  28           HB1      MET  28   4.926   3.035  10.627
  200   1HG   MET  28           HG2      MET  28   6.781   3.738  11.686
  201   2HG   MET  28           HG1      MET  28   5.909   3.634  13.216
  202   1HE   MET  28           HE2      MET  28   8.399   2.456  10.873
  203   2HE   MET  28           HE1      MET  28   9.028   0.905  11.423
  204   3HE   MET  28           HE3      MET  28   7.488   0.983  10.555
  205    H    PHE  29           HN       PHE  29   3.171   4.326  10.357
  206    HA   PHE  29           HA       PHE  29   3.640   6.927  11.570
  207   1HB   PHE  29           HB2      PHE  29   2.519   6.002   8.923
  208   2HB   PHE  29           HB1      PHE  29   2.503   7.706   9.378
  209    HD1  PHE  29           HD1      PHE  29   4.813   4.759   9.198
  210    HD2  PHE  29           HD2      PHE  29   4.390   9.028   8.958
  211    HE1  PHE  29           HE1      PHE  29   7.193   4.957   8.532
  212    HE2  PHE  29           HE2      PHE  29   6.771   9.225   8.291
  213    HZ   PHE  29           HZ       PHE  29   8.172   7.190   8.078
  214    H    ASP  30           HN       ASP  30   0.740   5.085  10.611
  215    HA   ASP  30           HA       ASP  30  -0.921   7.110  12.038
  216   1HB   ASP  30           HB2      ASP  30  -1.277   5.613   9.619
  217   2HB   ASP  30           HB1      ASP  30  -2.535   5.137  10.761
  218    H    ALA  31           HN       ALA  31  -0.116   6.141  14.110
  219    HA   ALA  31           HA       ALA  31  -0.426   3.511  14.969
  220   1HB   ALA  31           HB1      ALA  31  -0.584   6.167  16.302
  221   2HB   ALA  31           HB3      ALA  31  -1.245   4.799  17.198
  222   3HB   ALA  31           HB2      ALA  31   0.439   4.780  16.677
  223    H    ASP  32           HN       ASP  32  -2.924   6.039  15.452
  224    HA   ASP  32           HA       ASP  32  -4.975   3.904  15.047
  225   1HB   ASP  32           HB2      ASP  32  -4.664   4.502  17.480
  226   2HB   ASP  32           HB1      ASP  32  -5.175   6.142  17.082
  227    H    GLY  33           HN       GLY  33  -3.727   6.510  13.671
  228   1HA   GLY  33           HA2      GLY  33  -5.672   8.466  13.301
  229   2HA   GLY  33           HA1      GLY  33  -4.589   7.943  12.010
  230    H    GLY  34           HN       GLY  34  -5.291   5.966  10.783
  231   1HA   GLY  34           HA2      GLY  34  -8.039   5.069  10.982
  232   2HA   GLY  34           HA1      GLY  34  -7.827   6.209   9.652
  233    H    GLY  35           HN       GLY  35  -5.363   3.926  10.741
  234   1HA   GLY  35           HA2      GLY  35  -4.200   2.302   9.500
  235   2HA   GLY  35           HA1      GLY  35  -5.816   1.750   9.058
  236    H    ASP  36           HN       ASP  36  -3.559   4.401   8.190
  237    HA   ASP  36           HA       ASP  36  -3.435   3.699   5.432
  238   1HB   ASP  36           HB2      ASP  36  -4.894   5.403   4.443
  239   2HB   ASP  36           HB1      ASP  36  -5.840   4.325   5.472
  240    H    ILE  37           HN       ILE  37  -2.396   5.473   4.137
  241    HA   ILE  37           HA       ILE  37  -1.160   7.589   5.831
  242    HB   ILE  37           HB       ILE  37   0.364   5.760   3.948
  243   1HG1  ILE  37          HG12      ILE  37   1.494   5.599   6.468
  244   2HG1  ILE  37          HG11      ILE  37  -0.232   5.675   6.824
  245   1HG2  ILE  37          HG23      ILE  37   0.909   8.392   5.053
  246   2HG2  ILE  37          HG22      ILE  37   2.108   7.218   5.593
  247   3HG2  ILE  37          HG21      ILE  37   1.835   7.469   3.869
  248   1HD1  ILE  37          HD11      ILE  37  -0.434   3.896   4.909
  249   2HD1  ILE  37          HD13      ILE  37   1.278   3.622   5.232
  250   3HD1  ILE  37          HD12      ILE  37   0.089   3.381   6.512
  251    H    SER  38           HN       SER  38  -0.814   9.520   4.717
  252    HA   SER  38           HA       SER  38  -2.116   9.710   2.080
  253   1HB   SER  38           HB2      SER  38  -2.371  11.383   4.041
  254   2HB   SER  38           HB1      SER  38  -0.785  11.978   3.560
  255    HG   SER  38           HG       SER  38  -3.064  11.736   1.876
  256    H    THR  39           HN       THR  39  -0.762  11.665   0.778
  257    HA   THR  39           HA       THR  39   1.598  10.247  -0.189
  258    HB   THR  39           HB       THR  39   1.711  11.990  -1.869
  259    HG1  THR  39           HG1      THR  39   0.076  13.328  -0.016
  260   1HG2  THR  39          HG21      THR  39  -0.222  10.263  -1.827
  261   2HG2  THR  39          HG23      THR  39  -1.237  11.629  -1.365
  262   3HG2  THR  39          HG22      THR  39  -0.377  11.651  -2.905
  263    H    LYS  40           HN       LYS  40   1.026  12.498   2.282
  264    HA   LYS  40           HA       LYS  40   3.410  14.080   2.140
  265   1HB   LYS  40           HB2      LYS  40   1.342  14.448   3.624
  266   2HB   LYS  40           HB1      LYS  40   2.052  13.252   4.709
  267   1HG   LYS  40           HG2      LYS  40   4.208  14.723   4.496
  268   2HG   LYS  40           HG1      LYS  40   3.084  15.975   3.969
  269   1HD   LYS  40           HD2      LYS  40   2.645  16.393   6.137
  270   2HD   LYS  40           HD1      LYS  40   1.883  14.804   6.226
  271   1HE   LYS  40           HE2      LYS  40   4.213  13.850   6.626
  272   2HE   LYS  40           HE1      LYS  40   4.758  15.513   6.844
  273   1HZ   LYS  40           HZ1      LYS  40   2.601  15.459   8.414
  274   2HZ   LYS  40           HZ3      LYS  40   3.134  13.857   8.576
  275   3HZ   LYS  40           HZ2      LYS  40   4.177  15.141   8.963
  276    H    GLU  41           HN       GLU  41   2.701  11.210   4.174
  277    HA   GLU  41           HA       GLU  41   5.586  10.908   4.715
  278   1HB   GLU  41           HB2      GLU  41   3.094   9.523   5.701
  279   2HB   GLU  41           HB1      GLU  41   4.698   8.870   6.038
  280   1HG   GLU  41           HG2      GLU  41   4.945  10.339   7.721
  281   2HG   GLU  41           HG1      GLU  41   4.762  11.672   6.583
  282    H    LEU  42           HN       LEU  42   3.259   9.718   2.489
  283    HA   LEU  42           HA       LEU  42   4.528   7.148   1.992
  284   1HB   LEU  42           HB2      LEU  42   2.166   7.506   1.429
  285   2HB   LEU  42           HB1      LEU  42   2.617   8.778   0.295
  286    HG   LEU  42           HG       LEU  42   4.175   6.486  -0.346
  287   1HD1  LEU  42          HD11      LEU  42   2.083   5.487   0.974
  288   2HD1  LEU  42          HD13      LEU  42   1.286   5.752  -0.577
  289   3HD1  LEU  42          HD12      LEU  42   2.704   4.707  -0.481
  290   1HD2  LEU  42          HD22      LEU  42   2.836   8.491  -1.642
  291   2HD2  LEU  42          HD21      LEU  42   3.512   7.075  -2.447
  292   3HD2  LEU  42          HD23      LEU  42   1.806   7.105  -2.002
  293    H    GLY  43           HN       GLY  43   5.173  10.401   1.067
  294   1HA   GLY  43           HA2      GLY  43   6.778   9.558  -1.280
  295   2HA   GLY  43           HA1      GLY  43   6.441  11.225  -0.811
  296    H    THR  44           HN       THR  44   7.155  10.863   1.983
  297    HA   THR  44           HA       THR  44  10.081  11.045   1.664
  298    HB   THR  44           HB       THR  44  10.088  11.974   3.883
  299    HG1  THR  44           HG1      THR  44   8.053  11.960   5.060
  300   1HG2  THR  44          HG23      THR  44   8.768  13.129   1.823
  301   2HG2  THR  44          HG22      THR  44   7.472  13.073   3.019
  302   3HG2  THR  44          HG21      THR  44   8.979  13.911   3.390
  303    H    VAL  45           HN       VAL  45   7.837   8.630   2.388
  304    HA   VAL  45           HA       VAL  45   9.417   7.197   4.370
  305    HB   VAL  45           HB       VAL  45   6.982   6.858   4.212
  306   1HG1  VAL  45          HG12      VAL  45   7.049   7.114   1.637
  307   2HG1  VAL  45          HG11      VAL  45   7.451   5.398   1.614
  308   3HG1  VAL  45          HG13      VAL  45   5.923   5.936   2.312
  309   1HG2  VAL  45          HG21      VAL  45   8.646   4.425   3.488
  310   2HG2  VAL  45          HG23      VAL  45   8.318   5.026   5.113
  311   3HG2  VAL  45          HG22      VAL  45   7.009   4.358   4.140
  312    H    MET  46           HN       MET  46   8.798   6.728   0.870
  313    HA   MET  46           HA       MET  46  11.013   4.770   0.770
  314   1HB   MET  46           HB2      MET  46  10.338   4.608  -1.661
  315   2HB   MET  46           HB1      MET  46   9.056   4.186  -0.525
  316   1HG   MET  46           HG2      MET  46   7.858   6.129  -0.941
  317   2HG   MET  46           HG1      MET  46   9.292   7.032  -1.427
  318   1HE   MET  46           HE2      MET  46   6.516   5.068  -1.941
  319   2HE   MET  46           HE1      MET  46   6.090   5.407  -3.616
  320   3HE   MET  46           HE3      MET  46   6.876   3.880  -3.191
  321    H    ARG  47           HN       ARG  47  10.278   8.082  -0.079
  322    HA   ARG  47           HA       ARG  47  12.761   8.377  -1.643
  323   1HB   ARG  47           HB2      ARG  47  10.435   9.585  -1.997
  324   2HB   ARG  47           HB1      ARG  47  11.065  10.696  -0.781
  325   1HG   ARG  47           HG2      ARG  47  11.709  11.572  -2.926
  326   2HG   ARG  47           HG1      ARG  47  13.162  10.890  -2.192
  327   1HD   ARG  47           HD2      ARG  47  13.413   9.599  -4.018
  328   2HD   ARG  47           HD1      ARG  47  11.924   8.763  -3.576
  329    HE   ARG  47           HE       ARG  47  12.094  11.055  -5.476
  330   1HH1  ARG  47          HH21      ARG  47   9.506  10.619  -3.856
  331   2HH1  ARG  47          HH22      ARG  47   8.572   9.708  -4.994
  332   1HH2  ARG  47          HH11      ARG  47  11.287   8.933  -7.006
  333   2HH2  ARG  47          HH12      ARG  47   9.580   8.754  -6.778
  334    H    MET  48           HN       MET  48  12.349   7.950   1.483
  335    HA   MET  48           HA       MET  48  13.429  10.220   2.807
  336   1HB   MET  48           HB2      MET  48  12.447   8.153   3.899
  337   2HB   MET  48           HB1      MET  48  13.966   7.330   3.544
  338   1HG   MET  48           HG2      MET  48  14.614   9.837   4.733
  339   2HG   MET  48           HG1      MET  48  13.371   9.080   5.731
  340   1HE   MET  48           HE1      MET  48  13.745   6.124   5.026
  341   2HE   MET  48           HE3      MET  48  14.835   5.508   6.275
  342   3HE   MET  48           HE2      MET  48  13.538   6.621   6.704
  343    H    LEU  49           HN       LEU  49  15.088   7.379   1.412
  344    HA   LEU  49           HA       LEU  49  17.708   8.652   1.892
  345   1HB   LEU  49           HB2      LEU  49  17.566   6.210   0.218
  346   2HB   LEU  49           HB1      LEU  49  18.611   6.572   1.590
  347    HG   LEU  49           HG       LEU  49  16.227   6.419   2.863
  348   1HD1  LEU  49          HD13      LEU  49  15.737   5.363   0.255
  349   2HD1  LEU  49          HD12      LEU  49  15.706   4.018   1.394
  350   3HD1  LEU  49          HD11      LEU  49  14.640   5.402   1.634
  351   1HD2  LEU  49          HD21      LEU  49  18.435   5.166   3.232
  352   2HD2  LEU  49          HD23      LEU  49  16.964   4.294   3.662
  353   3HD2  LEU  49          HD22      LEU  49  17.793   3.931   2.149
  354    H    GLY  50           HN       GLY  50  15.990  10.096   0.123
  355   1HA   GLY  50           HA2      GLY  50  17.669   9.983  -2.326
  356   2HA   GLY  50           HA1      GLY  50  15.917   9.924  -2.517
  357    H    GLN  51           HN       GLN  51  14.824  11.841  -2.574
  358    HA   GLN  51           HA       GLN  51  16.154  14.288  -1.487
  359   1HB   GLN  51           HB2      GLN  51  14.653  14.703  -3.980
  360   2HB   GLN  51           HB1      GLN  51  16.214  15.359  -3.499
  361   1HG   GLN  51           HG2      GLN  51  15.764  12.530  -4.493
  362   2HG   GLN  51           HG1      GLN  51  16.360  13.855  -5.491
  363   1HE2  GLN  51          HE22      GLN  51  19.336  13.996  -3.116
  364   2HE2  GLN  51          HE21      GLN  51  18.026  15.048  -3.341
  365    H    ASN  52           HN       ASN  52  14.513  16.007  -1.004
  366    HA   ASN  52           HA       ASN  52  11.996  14.865  -0.196
  367   1HB   ASN  52           HB2      ASN  52  12.626  17.780  -0.778
  368   2HB   ASN  52           HB1      ASN  52  11.281  17.178   0.190
  369   1HD2  ASN  52          HD22      ASN  52  14.756  17.846   2.018
  370   2HD2  ASN  52          HD21      ASN  52  14.333  18.490   0.505
  371    HA   PRO  53           HA       PRO  53  10.445  15.094  -4.372
  372   1HB   PRO  53           HB2      PRO  53   8.236  13.546  -3.898
  373   2HB   PRO  53           HB1      PRO  53   9.871  12.885  -4.078
  374   1HG   PRO  53           HG2      PRO  53   8.228  13.089  -1.632
  375   2HG   PRO  53           HG1      PRO  53   9.661  12.097  -1.939
  376   1HD   PRO  53           HD2      PRO  53   9.509  14.615  -0.505
  377   2HD   PRO  53           HD1      PRO  53  10.924  13.568  -0.761
  378    H    THR  54           HN       THR  54   8.008  15.425  -5.247
  379    HA   THR  54           HA       THR  54   7.000  17.863  -3.875
  380    HB   THR  54           HB       THR  54   6.206  16.784  -6.589
  381    HG1  THR  54           HG1      THR  54   7.902  17.751  -7.413
  382   1HG2  THR  54          HG23      THR  54   4.727  18.479  -5.522
  383   2HG2  THR  54          HG22      THR  54   6.104  19.576  -5.418
  384   3HG2  THR  54          HG21      THR  54   5.490  19.076  -6.995
  385    H    LYS  55           HN       LYS  55   4.609  18.098  -3.702
  386    HA   LYS  55           HA       LYS  55   3.401  15.746  -2.550
  387   1HB   LYS  55           HB2      LYS  55   2.772  17.995  -1.800
  388   2HB   LYS  55           HB1      LYS  55   2.159  18.376  -3.410
  389   1HG   LYS  55           HG2      LYS  55   0.989  15.909  -2.491
  390   2HG   LYS  55           HG1      LYS  55   0.741  17.168  -1.280
  391   1HD   LYS  55           HD2      LYS  55  -0.663  18.353  -2.620
  392   2HD   LYS  55           HD1      LYS  55   0.311  18.054  -4.061
  393   1HE   LYS  55           HE2      LYS  55  -1.350  16.642  -4.681
  394   2HE   LYS  55           HE1      LYS  55  -0.681  15.542  -3.476
  395   1HZ   LYS  55           HZ3      LYS  55  -2.348  17.498  -2.267
  396   2HZ   LYS  55           HZ2      LYS  55  -3.193  16.657  -3.478
  397   3HZ   LYS  55           HZ1      LYS  55  -2.459  15.807  -2.203
  398    H    GLU  56           HN       GLU  56   3.345  17.226  -5.725
  399    HA   GLU  56           HA       GLU  56   1.122  15.512  -6.610
  400   1HB   GLU  56           HB2      GLU  56   2.751  17.010  -8.600
  401   2HB   GLU  56           HB1      GLU  56   1.000  16.861  -8.465
  402   1HG   GLU  56           HG2      GLU  56   1.345  18.277  -6.267
  403   2HG   GLU  56           HG1      GLU  56   2.853  18.751  -7.052
  404    H    GLU  57           HN       GLU  57   4.520  15.337  -6.371
  405    HA   GLU  57           HA       GLU  57   5.052  13.664  -8.658
  406   1HB   GLU  57           HB2      GLU  57   6.741  14.952  -7.200
  407   2HB   GLU  57           HB1      GLU  57   6.608  13.604  -6.070
  408   1HG   GLU  57           HG2      GLU  57   7.375  12.036  -7.727
  409   2HG   GLU  57           HG1      GLU  57   7.276  13.251  -9.002
  410    H    LEU  58           HN       LEU  58   3.957  13.046  -5.370
  411    HA   LEU  58           HA       LEU  58   4.240  10.133  -5.664
  412   1HB   LEU  58           HB2      LEU  58   2.975  11.852  -3.510
  413   2HB   LEU  58           HB1      LEU  58   3.119  10.095  -3.424
  414    HG   LEU  58           HG       LEU  58   4.998  11.020  -2.229
  415   1HD1  LEU  58          HD13      LEU  58   5.256   9.246  -4.279
  416   2HD1  LEU  58          HD12      LEU  58   6.405  10.486  -4.779
  417   3HD1  LEU  58          HD11      LEU  58   6.582   9.701  -3.210
  418   1HD2  LEU  58          HD22      LEU  58   4.731  13.245  -3.593
  419   2HD2  LEU  58          HD21      LEU  58   6.325  12.789  -2.995
  420   3HD2  LEU  58          HD23      LEU  58   5.902  12.505  -4.683
  421    H    ASP  59           HN       ASP  59   1.971  12.488  -6.576
  422    HA   ASP  59           HA       ASP  59  -0.464  10.992  -6.219
  423   1HB   ASP  59           HB2      ASP  59   0.195  13.539  -7.126
  424   2HB   ASP  59           HB1      ASP  59  -0.436  12.739  -8.566
  425    H    ALA  60           HN       ALA  60   2.192  10.616  -8.338
  426    HA   ALA  60           HA       ALA  60   0.729   9.392 -10.540
  427   1HB   ALA  60           HB2      ALA  60   3.601   9.742  -9.782
  428   2HB   ALA  60           HB1      ALA  60   3.201   8.471 -10.939
  429   3HB   ALA  60           HB3      ALA  60   2.783  10.148 -11.291
  430    H    ILE  61           HN       ILE  61   2.774   8.137  -7.891
  431    HA   ILE  61           HA       ILE  61   2.198   5.364  -8.499
  432    HB   ILE  61           HB       ILE  61   2.955   6.228  -5.734
  433   1HG1  ILE  61          HG12      ILE  61   5.373   6.133  -7.061
  434   2HG1  ILE  61          HG11      ILE  61   4.349   7.025  -8.189
  435   1HG2  ILE  61          HG21      ILE  61   2.797   3.821  -6.854
  436   2HG2  ILE  61          HG23      ILE  61   4.424   4.236  -7.396
  437   3HG2  ILE  61          HG22      ILE  61   4.049   4.205  -5.673
  438   1HD1  ILE  61          HD12      ILE  61   3.648   8.093  -5.738
  439   2HD1  ILE  61          HD11      ILE  61   5.386   7.840  -5.577
  440   3HD1  ILE  61          HD13      ILE  61   4.757   8.829  -6.895
  441    H    ILE  62           HN       ILE  62   0.612   7.867  -6.678
  442    HA   ILE  62           HA       ILE  62  -1.016   6.071  -5.086
  443    HB   ILE  62           HB       ILE  62  -1.142   9.024  -5.704
  444   1HG1  ILE  62          HG12      ILE  62   0.560   8.089  -4.096
  445   2HG1  ILE  62          HG11      ILE  62  -0.558   9.239  -3.361
  446   1HG2  ILE  62          HG23      ILE  62  -3.461   8.090  -5.486
  447   2HG2  ILE  62          HG22      ILE  62  -3.018   7.474  -3.894
  448   3HG2  ILE  62          HG21      ILE  62  -3.039   9.212  -4.192
  449   1HD1  ILE  62          HD13      ILE  62  -1.781   6.685  -3.183
  450   2HD1  ILE  62          HD12      ILE  62  -0.109   6.484  -2.663
  451   3HD1  ILE  62          HD11      ILE  62  -1.144   7.666  -1.863
  452    H    GLU  63           HN       GLU  63  -1.282   7.562  -8.253
  453    HA   GLU  63           HA       GLU  63  -4.123   6.975  -8.552
  454   1HB   GLU  63           HB2      GLU  63  -2.777   8.783  -9.794
  455   2HB   GLU  63           HB1      GLU  63  -2.176   7.470 -10.807
  456   1HG   GLU  63           HG2      GLU  63  -4.041   7.737 -12.051
  457   2HG   GLU  63           HG1      GLU  63  -4.925   7.024 -10.700
  458    H    GLU  64           HN       GLU  64  -1.232   5.145  -8.823
  459    HA   GLU  64           HA       GLU  64  -2.394   3.211 -10.721
  460   1HB   GLU  64           HB2      GLU  64  -0.279   2.135 -10.695
  461   2HB   GLU  64           HB1      GLU  64   0.093   3.855 -10.596
  462   1HG   GLU  64           HG2      GLU  64   1.264   3.412  -8.723
  463   2HG   GLU  64           HG1      GLU  64  -0.269   3.041  -7.933
  464    H    VAL  65           HN       VAL  65  -3.178   3.821  -7.691
  465    HA   VAL  65           HA       VAL  65  -3.983   1.058  -7.163
  466    HB   VAL  65           HB       VAL  65  -2.962   1.305  -4.755
  467   1HG1  VAL  65          HG11      VAL  65  -2.221  -0.037  -7.077
  468   2HG1  VAL  65          HG13      VAL  65  -0.725   0.729  -6.541
  469   3HG1  VAL  65          HG12      VAL  65  -1.600  -0.352  -5.457
  470   1HG2  VAL  65          HG22      VAL  65  -1.413   3.292  -6.406
  471   2HG2  VAL  65          HG21      VAL  65  -1.992   3.440  -4.749
  472   3HG2  VAL  65          HG23      VAL  65  -0.611   2.408  -5.111
  473    H    ASP  66           HN       ASP  66  -3.556   4.179  -5.437
  474    HA   ASP  66           HA       ASP  66  -6.013   3.912  -3.962
  475   1HB   ASP  66           HB2      ASP  66  -4.295   5.417  -3.151
  476   2HB   ASP  66           HB1      ASP  66  -4.334   6.341  -4.655
  477    H    GLU  67           HN       GLU  67  -7.656   3.397  -5.494
  478    HA   GLU  67           HA       GLU  67  -8.294   5.568  -7.449
  479   1HB   GLU  67           HB2      GLU  67  -7.866   3.368  -8.475
  480   2HB   GLU  67           HB1      GLU  67  -9.118   2.649  -7.460
  481   1HG   GLU  67           HG2      GLU  67 -10.729   4.351  -8.470
  482   2HG   GLU  67           HG1      GLU  67  -9.464   4.709  -9.646
  483    H    ASP  68           HN       ASP  68  -9.447   3.782  -4.694
  484    HA   ASP  68           HA       ASP  68 -12.204   4.012  -4.809
  485   1HB   ASP  68           HB2      ASP  68 -12.225   4.058  -2.422
  486   2HB   ASP  68           HB1      ASP  68 -10.767   3.168  -2.861
  487    H    GLY  69           HN       GLY  69  -9.870   6.605  -4.218
  488   1HA   GLY  69           HA2      GLY  69 -10.430   8.868  -5.049
  489   2HA   GLY  69           HA1      GLY  69 -12.104   8.557  -4.588
  490    H    SER  70           HN       SER  70  -8.925   8.336  -2.951
  491    HA   SER  70           HA       SER  70 -10.039  10.075  -0.800
  492   1HB   SER  70           HB2      SER  70  -9.946   7.452  -0.369
  493   2HB   SER  70           HB1      SER  70  -8.251   7.796  -0.046
  494    HG   SER  70           HG       SER  70  -8.798   8.883   1.693
  495    H    GLY  71           HN       GLY  71  -7.157   8.638  -2.308
  496   1HA   GLY  71           HA2      GLY  71  -5.217   9.947  -2.907
  497   2HA   GLY  71           HA1      GLY  71  -5.707  11.161  -1.724
  498    H    THR  72           HN       THR  72  -5.645   7.725  -0.979
  499    HA   THR  72           HA       THR  72  -3.034   7.931   0.358
  500    HB   THR  72           HB       THR  72  -3.768   8.275   2.462
  501    HG1  THR  72           HG1      THR  72  -5.747   6.297   2.037
  502   1HG2  THR  72          HG23      THR  72  -6.504   8.396   1.169
  503   2HG2  THR  72          HG22      THR  72  -6.166   8.889   2.829
  504   3HG2  THR  72          HG21      THR  72  -5.424   9.754   1.484
  505    H    ILE  73           HN       ILE  73  -3.036   5.682   1.870
  506    HA   ILE  73           HA       ILE  73  -4.149   3.529   0.139
  507    HB   ILE  73           HB       ILE  73  -1.349   3.358   1.248
  508   1HG1  ILE  73          HG12      ILE  73  -2.265   4.560  -1.380
  509   2HG1  ILE  73          HG11      ILE  73  -1.301   5.342  -0.127
  510   1HG2  ILE  73          HG22      ILE  73  -3.098   1.613  -0.136
  511   2HG2  ILE  73          HG21      ILE  73  -1.853   2.086  -1.292
  512   3HG2  ILE  73          HG23      ILE  73  -1.396   1.344   0.241
  513   1HD1  ILE  73          HD12      ILE  73   0.429   3.497  -0.508
  514   2HD1  ILE  73          HD11      ILE  73  -0.483   3.081  -1.958
  515   3HD1  ILE  73          HD13      ILE  73   0.255   4.676  -1.808
  516    H    ASP  74           HN       ASP  74  -4.617   1.590   1.279
  517    HA   ASP  74           HA       ASP  74  -4.179   1.697   4.232
  518   1HB   ASP  74           HB2      ASP  74  -6.454   0.830   4.579
  519   2HB   ASP  74           HB1      ASP  74  -6.509   2.368   3.716
  520    H    PHE  75           HN       PHE  75  -5.362  -0.738   4.867
  521    HA   PHE  75           HA       PHE  75  -3.324  -2.600   4.035
  522   1HB   PHE  75           HB2      PHE  75  -5.759  -2.678   5.745
  523   2HB   PHE  75           HB1      PHE  75  -5.201  -4.221   5.100
  524    HD1  PHE  75           HD2      PHE  75  -4.132  -1.223   7.040
  525    HD2  PHE  75           HD1      PHE  75  -3.262  -5.288   5.958
  526    HE1  PHE  75           HE2      PHE  75  -2.335  -1.293   8.749
  527    HE2  PHE  75           HE1      PHE  75  -1.466  -5.358   7.667
  528    HZ   PHE  75           HZ       PHE  75  -1.003  -3.361   9.063
  529    H    GLU  76           HN       GLU  76  -6.111  -1.516   2.477
  530    HA   GLU  76           HA       GLU  76  -6.651  -4.065   1.089
  531   1HB   GLU  76           HB2      GLU  76  -7.875  -1.302   0.868
  532   2HB   GLU  76           HB1      GLU  76  -8.370  -2.671  -0.130
  533   1HG   GLU  76           HG2      GLU  76  -8.944  -3.954   1.889
  534   2HG   GLU  76           HG1      GLU  76  -8.429  -2.604   2.901
  535    H    GLU  77           HN       GLU  77  -5.459  -0.798   0.284
  536    HA   GLU  77           HA       GLU  77  -4.861  -1.596  -2.471
  537   1HB   GLU  77           HB2      GLU  77  -4.935   0.875  -0.926
  538   2HB   GLU  77           HB1      GLU  77  -3.498   0.784  -1.946
  539   1HG   GLU  77           HG2      GLU  77  -5.219   1.774  -3.291
  540   2HG   GLU  77           HG1      GLU  77  -5.038   0.112  -3.855
  541    H    PHE  78           HN       PHE  78  -2.910  -0.687   0.385
  542    HA   PHE  78           HA       PHE  78  -0.363  -1.093  -0.748
  543   1HB   PHE  78           HB2      PHE  78  -1.319  -0.452   1.758
  544   2HB   PHE  78           HB1      PHE  78  -0.588  -2.035   2.024
  545    HD1  PHE  78           HD2      PHE  78   1.430  -1.686  -0.351
  546    HD2  PHE  78           HD1      PHE  78   0.400   0.736   3.045
  547    HE1  PHE  78           HE2      PHE  78   3.685  -0.655  -0.402
  548    HE2  PHE  78           HE1      PHE  78   2.656   1.767   2.995
  549    HZ   PHE  78           HZ       PHE  78   4.298   1.071   1.270
  550    H    LEU  79           HN       LEU  79  -2.546  -3.480   0.755
  551    HA   LEU  79           HA       LEU  79  -0.691  -5.665   0.643
  552   1HB   LEU  79           HB2      LEU  79  -3.605  -5.336   1.070
  553   2HB   LEU  79           HB1      LEU  79  -3.101  -6.911   0.457
  554    HG   LEU  79           HG       LEU  79  -1.489  -7.135   2.294
  555   1HD1  LEU  79          HD12      LEU  79  -2.537  -4.399   3.069
  556   2HD1  LEU  79          HD11      LEU  79  -1.582  -5.421   4.144
  557   3HD1  LEU  79          HD13      LEU  79  -0.879  -4.824   2.641
  558   1HD2  LEU  79          HD22      LEU  79  -4.332  -6.423   3.053
  559   2HD2  LEU  79          HD21      LEU  79  -3.650  -8.029   2.792
  560   3HD2  LEU  79          HD23      LEU  79  -3.184  -7.095   4.212
  561    H    VAL  80           HN       VAL  80  -3.413  -4.856  -1.551
  562    HA   VAL  80           HA       VAL  80  -2.791  -6.880  -3.471
  563    HB   VAL  80           HB       VAL  80  -4.960  -5.621  -3.326
  564   1HG1  VAL  80          HG13      VAL  80  -3.182  -3.430  -4.405
  565   2HG1  VAL  80          HG12      VAL  80  -4.927  -3.421  -4.664
  566   3HG1  VAL  80          HG11      VAL  80  -4.278  -3.368  -3.025
  567   1HG2  VAL  80          HG23      VAL  80  -4.115  -6.906  -5.383
  568   2HG2  VAL  80          HG22      VAL  80  -5.379  -5.711  -5.673
  569   3HG2  VAL  80          HG21      VAL  80  -3.701  -5.332  -6.063
  570    H    MET  81           HN       MET  81  -1.108  -4.040  -2.684
  571    HA   MET  81           HA       MET  81  -0.004  -3.664  -5.399
  572   1HB   MET  81           HB2      MET  81  -0.390  -1.644  -4.129
  573   2HB   MET  81           HB1      MET  81   0.529  -2.273  -2.761
  574   1HG   MET  81           HG2      MET  81   2.565  -1.924  -3.786
  575   2HG   MET  81           HG1      MET  81   1.908  -2.162  -5.405
  576   1HE   MET  81           HE1      MET  81   1.344  -0.397  -2.309
  577   2HE   MET  81           HE3      MET  81   1.793   1.292  -2.583
  578   3HE   MET  81           HE2      MET  81   0.135   0.763  -2.857
  579    H    MET  82           HN       MET  82   1.138  -4.685  -2.177
  580    HA   MET  82           HA       MET  82   3.820  -5.266  -3.145
  581   1HB   MET  82           HB2      MET  82   4.071  -6.356  -0.888
  582   2HB   MET  82           HB1      MET  82   3.534  -4.677  -0.816
  583   1HG   MET  82           HG2      MET  82   1.310  -5.282  -0.314
  584   2HG   MET  82           HG1      MET  82   1.540  -6.937  -0.876
  585   1HE   MET  82           HE3      MET  82   2.861  -8.550  -0.037
  586   2HE   MET  82           HE2      MET  82   4.335  -7.973   0.734
  587   3HE   MET  82           HE1      MET  82   3.154  -8.880   1.676
  588    H    VAL  83           HN       VAL  83   0.818  -6.983  -3.096
  589    HA   VAL  83           HA       VAL  83   2.107  -9.624  -3.270
  590    HB   VAL  83           HB       VAL  83  -0.800  -8.878  -3.704
  591   1HG1  VAL  83          HG12      VAL  83   0.596 -11.265  -4.175
  592   2HG1  VAL  83          HG11      VAL  83  -0.206 -11.511  -2.623
  593   3HG1  VAL  83          HG13      VAL  83  -1.153 -11.078  -4.046
  594   1HG2  VAL  83          HG23      VAL  83   0.745  -8.727  -1.343
  595   2HG2  VAL  83          HG22      VAL  83  -1.014  -8.673  -1.468
  596   3HG2  VAL  83          HG21      VAL  83  -0.196 -10.213  -1.209
  597    H    ARG  84           HN       ARG  84   1.389  -7.088  -5.401
  598    HA   ARG  84           HA       ARG  84   0.710  -8.613  -7.757
  599   1HB   ARG  84           HB2      ARG  84   1.690  -5.825  -7.227
  600   2HB   ARG  84           HB1      ARG  84   1.701  -6.444  -8.880
  601   1HG   ARG  84           HG2      ARG  84  -0.800  -7.172  -7.764
  602   2HG   ARG  84           HG1      ARG  84  -0.533  -5.480  -7.340
  603   1HD   ARG  84           HD2      ARG  84  -0.713  -4.785  -9.496
  604   2HD   ARG  84           HD1      ARG  84   0.203  -6.160 -10.112
  605    HE   ARG  84           HE       ARG  84  -2.725  -6.159  -9.564
  606   1HH1  ARG  84          HH21      ARG  84  -2.460  -8.824  -9.227
  607   2HH1  ARG  84          HH22      ARG  84  -2.145  -9.535 -10.774
  608   1HH2  ARG  84          HH11      ARG  84  -1.188  -6.545 -12.247
  609   2HH2  ARG  84          HH12      ARG  84  -1.425  -8.244 -12.487
  610    H    GLN  85           HN       GLN  85   3.628  -6.629  -7.723
  611    HA   GLN  85           HA       GLN  85   5.089  -8.563  -9.281
  612   1HB   GLN  85           HB2      GLN  85   7.057  -7.057  -8.765
  613   2HB   GLN  85           HB1      GLN  85   5.673  -6.230  -9.483
  614   1HG   GLN  85           HG2      GLN  85   5.340  -6.287  -6.631
  615   2HG   GLN  85           HG1      GLN  85   6.944  -5.657  -7.004
  616   1HE2  GLN  85          HE22      GLN  85   3.718  -3.345  -7.679
  617   2HE2  GLN  85          HE21      GLN  85   3.620  -4.830  -6.864
  618    H    MET  86           HN       MET  86   5.289 -10.540  -8.199
  619    HA   MET  86           HA       MET  86   6.143 -10.656  -5.408
  620   1HB   MET  86           HB2      MET  86   5.405 -12.602  -7.531
  621   2HB   MET  86           HB1      MET  86   6.521 -13.183  -6.295
  622   1HG   MET  86           HG2      MET  86   4.071 -11.671  -5.453
  623   2HG   MET  86           HG1      MET  86   3.921 -13.370  -5.904
  624   1HE   MET  86           HE2      MET  86   3.816 -11.206  -3.533
  625   2HE   MET  86           HE1      MET  86   3.334 -12.590  -2.554
  626   3HE   MET  86           HE3      MET  86   4.743 -11.624  -2.095
  627    H    LYS  87           HN       LYS  87   8.212 -11.364  -4.675
  628    HA   LYS  87           HA       LYS  87  10.408 -10.672  -6.507
  629   1HB   LYS  87           HB2      LYS  87  10.435 -11.567  -3.608
  630   2HB   LYS  87           HB1      LYS  87  11.841 -10.998  -4.508
  631   1HG   LYS  87           HG2      LYS  87  10.422  -8.881  -4.982
  632   2HG   LYS  87           HG1      LYS  87   9.402  -9.443  -3.657
  633   1HD   LYS  87           HD2      LYS  87  11.564  -9.631  -2.284
  634   2HD   LYS  87           HD1      LYS  87  12.325  -8.684  -3.564
  635   1HE   LYS  87           HE2      LYS  87   9.995  -7.277  -3.051
  636   2HE   LYS  87           HE1      LYS  87  10.494  -7.817  -1.449
  637   1HZ   LYS  87           HZ2      LYS  87  12.801  -7.000  -2.688
  638   2HZ   LYS  87           HZ1      LYS  87  11.651  -5.826  -3.115
  639   3HZ   LYS  87           HZ3      LYS  87  11.949  -6.163  -1.479
  640    H    GLU  88           HN       GLU  88   8.703 -13.474  -5.657
  641    HA   GLU  88           HA       GLU  88  10.942 -15.339  -5.918
  642   1HB   GLU  88           HB2      GLU  88   7.977 -15.939  -6.095
  643   2HB   GLU  88           HB1      GLU  88   9.274 -17.071  -5.715
  644   1HG   GLU  88           HG2      GLU  88   8.990 -14.639  -4.000
  645   2HG   GLU  88           HG1      GLU  88   7.829 -15.948  -3.782
  646    H    ASP  89           HN       ASP  89   9.370 -13.426  -8.111
  647    HA   ASP  89           HA       ASP  89   9.148 -13.498 -10.444
  648   1HB   ASP  89           HB2      ASP  89  11.561 -15.019  -9.747
  649   2HB   ASP  89           HB1      ASP  89  10.862 -15.499 -11.294
  650    H    ALA  90           HN       ALA  90   7.020 -14.663  -9.543
  651    HA   ALA  90           HA       ALA  90   6.878 -17.491 -10.387
  652   1HB   ALA  90           HB3      ALA  90   5.401 -15.782  -8.594
  653   2HB   ALA  90           HB2      ALA  90   4.296 -16.508  -9.761
  654   3HB   ALA  90           HB1      ALA  90   5.322 -17.536  -8.759
   
  No H/Q in entry =         654
  Start of MODEL   15
    1   1H    ALA   1           HT3      ALA   1 -12.649  -0.353  -8.185
    2   2H    ALA   1           HT2      ALA   1 -12.978  -0.669  -9.822
    3   3H    ALA   1           HT1      ALA   1 -14.175  -0.932  -8.646
    4    HA   ALA   1           HA       ALA   1 -13.519  -3.051  -8.700
    5   1HB   ALA   1           HB3      ALA   1 -11.970  -2.172 -10.687
    6   2HB   ALA   1           HB2      ALA   1 -10.699  -2.471  -9.502
    7   3HB   ALA   1           HB1      ALA   1 -11.761  -3.785 -10.009
    8    H    SER   2           HN       SER   2 -13.617  -2.055  -6.321
    9    HA   SER   2           HA       SER   2 -10.998  -2.689  -5.016
   10   1HB   SER   2           HB2      SER   2 -11.582  -1.118  -3.248
   11   2HB   SER   2           HB1      SER   2 -11.689  -0.293  -4.800
   12    HG   SER   2           HG       SER   2 -13.531  -0.328  -3.055
   13    H    MET   3           HN       MET   3 -11.058  -4.274  -3.462
   14    HA   MET   3           HA       MET   3 -11.938  -5.932  -2.049
   15   1HB   MET   3           HB2      MET   3 -14.534  -4.377  -2.215
   16   2HB   MET   3           HB1      MET   3 -14.049  -5.515  -0.957
   17   1HG   MET   3           HG2      MET   3 -12.034  -3.468  -1.265
   18   2HG   MET   3           HG1      MET   3 -13.610  -2.727  -0.992
   19   1HE   MET   3           HE2      MET   3 -10.588  -3.714   0.513
   20   2HE   MET   3           HE1      MET   3 -10.878  -4.748   1.909
   21   3HE   MET   3           HE3      MET   3 -11.033  -5.401   0.272
   22    H    THR   4           HN       THR   4 -12.597  -5.571  -5.163
   23    HA   THR   4           HA       THR   4 -14.837  -7.486  -5.350
   24    HB   THR   4           HB       THR   4 -14.949  -5.725  -6.947
   25    HG1  THR   4           HG1      THR   4 -14.844  -6.869  -8.858
   26   1HG2  THR   4          HG21      THR   4 -12.023  -6.139  -7.045
   27   2HG2  THR   4          HG23      THR   4 -12.777  -5.740  -8.588
   28   3HG2  THR   4          HG22      THR   4 -12.959  -4.653  -7.212
   29    H    ASP   5           HN       ASP   5 -12.571  -7.928  -7.882
   30    HA   ASP   5           HA       ASP   5 -11.948 -10.609  -6.821
   31   1HB   ASP   5           HB2      ASP   5 -12.610  -9.801  -9.315
   32   2HB   ASP   5           HB1      ASP   5 -10.852  -9.718  -9.435
   33    H    GLN   6           HN       GLN   6 -10.427  -7.519  -7.300
   34    HA   GLN   6           HA       GLN   6  -7.704  -8.271  -7.454
   35   1HB   GLN   6           HB2      GLN   6  -8.968  -5.898  -7.410
   36   2HB   GLN   6           HB1      GLN   6  -8.401  -5.937  -5.740
   37   1HG   GLN   6           HG2      GLN   6  -6.425  -5.187  -6.542
   38   2HG   GLN   6           HG1      GLN   6  -6.197  -6.815  -7.183
   39   1HE2  GLN   6          HE22      GLN   6  -6.010  -4.196  -9.945
   40   2HE2  GLN   6          HE21      GLN   6  -5.260  -4.282  -8.425
   41    H    GLN   7           HN       GLN   7  -9.192  -7.039  -4.447
   42    HA   GLN   7           HA       GLN   7  -7.234  -8.076  -2.703
   43   1HB   GLN   7           HB2      GLN   7 -10.008  -7.089  -2.441
   44   2HB   GLN   7           HB1      GLN   7  -9.482  -8.174  -1.154
   45   1HG   GLN   7           HG2      GLN   7  -8.504  -6.358  -0.228
   46   2HG   GLN   7           HG1      GLN   7  -7.291  -6.513  -1.500
   47   1HE2  GLN   7          HE22      GLN   7  -8.894  -3.944  -3.550
   48   2HE2  GLN   7          HE21      GLN   7  -8.195  -5.481  -3.728
   49    H    ALA   8           HN       ALA   8  -9.704  -9.738  -4.441
   50    HA   ALA   8           HA       ALA   8 -10.029 -11.992  -2.678
   51   1HB   ALA   8           HB1      ALA   8 -11.456 -11.281  -4.735
   52   2HB   ALA   8           HB3      ALA   8 -10.262 -12.173  -5.677
   53   3HB   ALA   8           HB2      ALA   8 -11.211 -13.004  -4.445
   54    H    GLU   9           HN       GLU   9  -7.947 -11.481  -5.547
   55    HA   GLU   9           HA       GLU   9  -6.629 -14.061  -5.166
   56   1HB   GLU   9           HB2      GLU   9  -6.738 -12.036  -7.205
   57   2HB   GLU   9           HB1      GLU   9  -5.050 -12.378  -6.820
   58   1HG   GLU   9           HG2      GLU   9  -5.195 -14.583  -7.503
   59   2HG   GLU   9           HG1      GLU   9  -6.914 -14.695  -7.126
   60    H    ALA  10           HN       ALA  10  -5.444 -10.675  -5.004
   61    HA   ALA  10           HA       ALA  10  -2.903 -11.089  -4.003
   62   1HB   ALA  10           HB3      ALA  10  -4.928  -8.994  -3.176
   63   2HB   ALA  10           HB2      ALA  10  -3.234  -8.946  -2.690
   64   3HB   ALA  10           HB1      ALA  10  -3.665  -8.840  -4.396
   65    H    ARG  11           HN       ARG  11  -5.736 -10.597  -1.853
   66    HA   ARG  11           HA       ARG  11  -4.435 -11.355   0.541
   67   1HB   ARG  11           HB2      ARG  11  -6.861 -10.401   0.078
   68   2HB   ARG  11           HB1      ARG  11  -7.306 -12.107   0.109
   69   1HG   ARG  11           HG2      ARG  11  -6.550 -12.382   2.336
   70   2HG   ARG  11           HG1      ARG  11  -5.627 -10.879   2.296
   71   1HD   ARG  11           HD2      ARG  11  -8.650 -11.063   2.147
   72   2HD   ARG  11           HD1      ARG  11  -7.733 -10.639   3.592
   73    HE   ARG  11           HE       ARG  11  -7.493  -8.981   1.120
   74   1HH1  ARG  11          HH21      ARG  11  -5.992  -8.191   3.557
   75   2HH1  ARG  11          HH22      ARG  11  -7.056  -7.044   4.301
   76   1HH2  ARG  11          HH11      ARG  11  -9.829  -8.027   2.466
   77   2HH2  ARG  11          HH12      ARG  11  -9.228  -6.952   3.684
   78    H    ALA  12           HN       ALA  12  -6.088 -13.343  -1.892
   79    HA   ALA  12           HA       ALA  12  -6.219 -15.813  -0.648
   80   1HB   ALA  12           HB2      ALA  12  -6.695 -15.115  -3.131
   81   2HB   ALA  12           HB1      ALA  12  -5.039 -15.655  -3.408
   82   3HB   ALA  12           HB3      ALA  12  -6.240 -16.781  -2.776
   83    H    PHE  13           HN       PHE  13  -3.318 -14.352  -2.130
   84    HA   PHE  13           HA       PHE  13  -1.632 -16.609  -1.372
   85   1HB   PHE  13           HB2      PHE  13  -0.451 -13.929  -1.961
   86   2HB   PHE  13           HB1      PHE  13   0.058 -15.524  -2.513
   87    HD1  PHE  13           HD1      PHE  13  -1.954 -16.768  -3.921
   88    HD2  PHE  13           HD2      PHE  13  -1.283 -12.535  -3.622
   89    HE1  PHE  13           HE1      PHE  13  -3.181 -16.422  -6.048
   90    HE2  PHE  13           HE2      PHE  13  -2.510 -12.190  -5.749
   91    HZ   PHE  13           HZ       PHE  13  -3.458 -14.134  -6.962
   92    H    LEU  14           HN       LEU  14  -2.410 -13.435  -0.026
   93    HA   LEU  14           HA       LEU  14  -0.442 -13.804   2.146
   94   1HB   LEU  14           HB2      LEU  14  -2.473 -11.587   1.751
   95   2HB   LEU  14           HB1      LEU  14  -1.082 -11.565   2.839
   96    HG   LEU  14           HG       LEU  14  -0.421 -12.198   0.035
   97   1HD1  LEU  14          HD12      LEU  14  -2.055  -9.858   0.713
   98   2HD1  LEU  14          HD11      LEU  14  -0.534  -9.434  -0.071
   99   3HD1  LEU  14          HD13      LEU  14  -1.662 -10.531  -0.868
  100   1HD2  LEU  14          HD22      LEU  14   0.679 -10.804   2.392
  101   2HD2  LEU  14          HD21      LEU  14   1.510 -11.736   1.147
  102   3HD2  LEU  14          HD23      LEU  14   1.083 -10.051   0.848
  103    H    SER  15           HN       SER  15  -1.547 -15.768   2.977
  104    HA   SER  15           HA       SER  15  -4.168 -16.010   3.855
  105   1HB   SER  15           HB2      SER  15  -1.606 -16.930   5.175
  106   2HB   SER  15           HB1      SER  15  -3.198 -17.386   5.775
  107    HG   SER  15           HG       SER  15  -2.099 -18.813   4.169
  108    H    GLU  16           HN       GLU  16  -4.893 -15.872   6.258
  109    HA   GLU  16           HA       GLU  16  -5.016 -13.182   7.071
  110   1HB   GLU  16           HB2      GLU  16  -6.466 -15.129   7.860
  111   2HB   GLU  16           HB1      GLU  16  -5.164 -15.521   8.984
  112   1HG   GLU  16           HG2      GLU  16  -6.222 -14.078  10.384
  113   2HG   GLU  16           HG1      GLU  16  -5.458 -12.826   9.403
  114    H    GLU  17           HN       GLU  17  -2.669 -15.681   7.947
  115    HA   GLU  17           HA       GLU  17  -1.392 -14.197  10.047
  116   1HB   GLU  17           HB2      GLU  17  -1.110 -16.658   9.641
  117   2HB   GLU  17           HB1      GLU  17  -0.136 -16.267   8.224
  118   1HG   GLU  17           HG2      GLU  17   1.142 -14.728  10.001
  119   2HG   GLU  17           HG1      GLU  17   0.515 -15.942  11.118
  120    H    MET  18           HN       MET  18  -0.881 -14.314   6.537
  121    HA   MET  18           HA       MET  18   1.542 -12.746   6.571
  122   1HB   MET  18           HB2      MET  18   0.347 -14.207   4.662
  123   2HB   MET  18           HB1      MET  18  -0.267 -12.617   4.206
  124   1HG   MET  18           HG2      MET  18   1.757 -12.754   3.019
  125   2HG   MET  18           HG1      MET  18   2.207 -11.844   4.461
  126   1HE   MET  18           HE2      MET  18   4.413 -12.502   3.307
  127   2HE   MET  18           HE1      MET  18   5.313 -13.973   3.669
  128   3HE   MET  18           HE3      MET  18   4.116 -13.961   2.367
  129    H    ILE  19           HN       ILE  19  -1.827 -11.940   6.811
  130    HA   ILE  19           HA       ILE  19  -1.388  -9.124   6.065
  131    HB   ILE  19           HB       ILE  19  -3.830 -10.509   7.211
  132   1HG1  ILE  19          HG12      ILE  19  -3.830  -9.577   4.417
  133   2HG1  ILE  19          HG11      ILE  19  -2.682 -10.880   4.734
  134   1HG2  ILE  19          HG22      ILE  19  -3.252  -7.724   6.253
  135   2HG2  ILE  19          HG21      ILE  19  -4.860  -8.402   6.005
  136   3HG2  ILE  19          HG23      ILE  19  -4.210  -8.250   7.637
  137   1HD1  ILE  19          HD13      ILE  19  -5.262 -11.327   6.032
  138   2HD1  ILE  19          HD12      ILE  19  -5.403 -11.198   4.279
  139   3HD1  ILE  19          HD11      ILE  19  -4.329 -12.403   4.991
  140    H    ALA  20           HN       ALA  20  -2.942 -10.529   8.953
  141    HA   ALA  20           HA       ALA  20  -2.618  -8.381  10.676
  142   1HB   ALA  20           HB3      ALA  20  -3.071 -11.227  10.943
  143   2HB   ALA  20           HB2      ALA  20  -2.047 -10.640  12.255
  144   3HB   ALA  20           HB1      ALA  20  -3.630  -9.912  11.978
  145    H    GLU  21           HN       GLU  21  -0.145 -10.550   9.497
  146    HA   GLU  21           HA       GLU  21   1.825  -9.762  11.511
  147   1HB   GLU  21           HB2      GLU  21   1.941 -11.970  10.394
  148   2HB   GLU  21           HB1      GLU  21   2.199 -11.165   8.846
  149   1HG   GLU  21           HG2      GLU  21   4.042 -10.169  10.860
  150   2HG   GLU  21           HG1      GLU  21   4.180 -11.919  10.678
  151    H    PHE  22           HN       PHE  22   1.153  -8.958   8.109
  152    HA   PHE  22           HA       PHE  22   3.394  -7.169   7.820
  153   1HB   PHE  22           HB2      PHE  22   1.743  -8.264   6.040
  154   2HB   PHE  22           HB1      PHE  22   0.880  -6.742   6.258
  155    HD1  PHE  22           HD2      PHE  22   4.551  -7.458   6.377
  156    HD2  PHE  22           HD1      PHE  22   1.339  -5.468   4.334
  157    HE1  PHE  22           HE2      PHE  22   6.192  -6.316   4.909
  158    HE2  PHE  22           HE1      PHE  22   2.979  -4.326   2.866
  159    HZ   PHE  22           HZ       PHE  22   5.407  -4.749   3.154
  160    H    LYS  23           HN       LYS  23   0.324  -6.874   9.369
  161    HA   LYS  23           HA       LYS  23  -0.047  -4.043   9.143
  162   1HB   LYS  23           HB2      LYS  23  -1.814  -5.568   9.963
  163   2HB   LYS  23           HB1      LYS  23  -0.858  -5.893  11.409
  164   1HG   LYS  23           HG2      LYS  23  -0.914  -3.133  11.340
  165   2HG   LYS  23           HG1      LYS  23  -2.521  -3.562  10.756
  166   1HD   LYS  23           HD2      LYS  23  -1.243  -4.580  13.312
  167   2HD   LYS  23           HD1      LYS  23  -2.514  -3.361  13.213
  168   1HE   LYS  23           HE2      LYS  23  -3.923  -5.087  11.995
  169   2HE   LYS  23           HE1      LYS  23  -2.696  -6.278  12.427
  170   1HZ   LYS  23           HZ3      LYS  23  -3.429  -4.723  14.681
  171   2HZ   LYS  23           HZ2      LYS  23  -4.807  -5.428  13.981
  172   3HZ   LYS  23           HZ1      LYS  23  -3.505  -6.403  14.470
  173    H    ALA  24           HN       ALA  24   2.073  -6.003  11.107
  174    HA   ALA  24           HA       ALA  24   2.649  -4.133  13.180
  175   1HB   ALA  24           HB1      ALA  24   3.478  -6.660  12.636
  176   2HB   ALA  24           HB3      ALA  24   4.908  -5.755  12.142
  177   3HB   ALA  24           HB2      ALA  24   4.294  -5.605  13.788
  178    H    ALA  25           HN       ALA  25   4.550  -4.784  10.212
  179    HA   ALA  25           HA       ALA  25   6.249  -2.514  10.480
  180   1HB   ALA  25           HB3      ALA  25   5.632  -4.503   8.423
  181   2HB   ALA  25           HB2      ALA  25   6.010  -2.921   7.741
  182   3HB   ALA  25           HB1      ALA  25   7.168  -3.723   8.801
  183    H    PHE  26           HN       PHE  26   2.971  -2.839   9.349
  184    HA   PHE  26           HA       PHE  26   2.844  -0.382   7.847
  185   1HB   PHE  26           HB2      PHE  26   1.167  -2.392   7.936
  186   2HB   PHE  26           HB1      PHE  26   0.481  -1.530   9.313
  187    HD1  PHE  26           HD1      PHE  26   0.255   1.133   8.871
  188    HD2  PHE  26           HD2      PHE  26   0.248  -1.922   5.851
  189    HE1  PHE  26           HE1      PHE  26  -0.931   2.666   7.323
  190    HE2  PHE  26           HE2      PHE  26  -0.938  -0.389   4.304
  191    HZ   PHE  26           HZ       PHE  26  -1.527   1.904   5.039
  192    H    ASP  27           HN       ASP  27   2.349  -1.203  11.256
  193    HA   ASP  27           HA       ASP  27   1.136   1.074  12.264
  194   1HB   ASP  27           HB2      ASP  27   2.070  -0.939  13.556
  195   2HB   ASP  27           HB1      ASP  27   3.613  -0.083  13.556
  196    H    MET  28           HN       MET  28   4.517   0.736  11.235
  197    HA   MET  28           HA       MET  28   5.329   3.366  12.083
  198   1HB   MET  28           HB2      MET  28   6.579   1.127  10.963
  199   2HB   MET  28           HB1      MET  28   6.761   2.390   9.745
  200   1HG   MET  28           HG2      MET  28   8.640   2.622  11.200
  201   2HG   MET  28           HG1      MET  28   7.530   3.919  11.642
  202   1HE   MET  28           HE1      MET  28   8.214   0.346  11.949
  203   2HE   MET  28           HE3      MET  28   9.409   0.639  13.220
  204   3HE   MET  28           HE2      MET  28   7.882  -0.151  13.606
  205    H    PHE  29           HN       PHE  29   4.260   2.078   8.922
  206    HA   PHE  29           HA       PHE  29   4.534   4.368   7.351
  207   1HB   PHE  29           HB2      PHE  29   2.838   1.980   7.307
  208   2HB   PHE  29           HB1      PHE  29   2.059   3.381   6.570
  209    HD1  PHE  29           HD1      PHE  29   3.852   4.872   5.124
  210    HD2  PHE  29           HD2      PHE  29   4.059   0.643   5.850
  211    HE1  PHE  29           HE1      PHE  29   5.257   4.593   3.099
  212    HE2  PHE  29           HE2      PHE  29   5.464   0.366   3.825
  213    HZ   PHE  29           HZ       PHE  29   6.063   2.340   2.450
  214    H    ASP  30           HN       ASP  30   1.511   3.494   9.076
  215    HA   ASP  30           HA       ASP  30   0.276   6.037   8.720
  216   1HB   ASP  30           HB2      ASP  30  -1.217   5.335  10.579
  217   2HB   ASP  30           HB1      ASP  30  -1.002   4.051   9.389
  218    H    ALA  31           HN       ALA  31  -0.442   7.076  11.125
  219    HA   ALA  31           HA       ALA  31   1.822   7.407  12.923
  220   1HB   ALA  31           HB1      ALA  31   1.736   9.055  10.607
  221   2HB   ALA  31           HB3      ALA  31   1.292  10.069  11.980
  222   3HB   ALA  31           HB2      ALA  31   2.824   9.193  11.989
  223    H    ASP  32           HN       ASP  32  -0.723   9.679  11.858
  224    HA   ASP  32           HA       ASP  32  -1.704   9.753  14.660
  225   1HB   ASP  32           HB2      ASP  32  -2.324  11.500  12.258
  226   2HB   ASP  32           HB1      ASP  32  -3.016  11.727  13.865
  227    H    GLY  33           HN       GLY  33  -2.520   8.491  11.553
  228   1HA   GLY  33           HA2      GLY  33  -5.376   8.170  12.250
  229   2HA   GLY  33           HA1      GLY  33  -4.626   7.702  10.723
  230    H    GLY  34           HN       GLY  34  -2.401   6.344  12.237
  231   1HA   GLY  34           HA2      GLY  34  -1.938   4.138  12.893
  232   2HA   GLY  34           HA1      GLY  34  -3.348   4.306  13.939
  233    H    GLY  35           HN       GLY  35  -3.419   4.524  10.413
  234   1HA   GLY  35           HA2      GLY  35  -4.023   1.927   9.652
  235   2HA   GLY  35           HA1      GLY  35  -5.547   2.546  10.291
  236    H    ASP  36           HN       ASP  36  -3.097   4.439   8.564
  237    HA   ASP  36           HA       ASP  36  -4.373   4.357   5.999
  238   1HB   ASP  36           HB2      ASP  36  -5.404   6.623   6.029
  239   2HB   ASP  36           HB1      ASP  36  -6.205   5.513   7.142
  240    H    ILE  37           HN       ILE  37  -3.420   5.974   4.517
  241    HA   ILE  37           HA       ILE  37  -1.098   7.478   5.582
  242    HB   ILE  37           HB       ILE  37  -0.532   5.933   3.109
  243   1HG1  ILE  37          HG12      ILE  37  -0.531   4.592   5.835
  244   2HG1  ILE  37          HG11      ILE  37  -1.689   4.248   4.551
  245   1HG2  ILE  37          HG23      ILE  37   0.876   7.052   5.476
  246   2HG2  ILE  37          HG22      ILE  37   1.583   5.607   4.756
  247   3HG2  ILE  37          HG21      ILE  37   1.351   7.057   3.779
  248   1HD1  ILE  37          HD13      ILE  37   1.025   4.136   3.538
  249   2HD1  ILE  37          HD12      ILE  37   0.827   3.046   4.910
  250   3HD1  ILE  37          HD11      ILE  37  -0.226   2.893   3.503
  251    H    SER  38           HN       SER  38  -0.672   9.329   4.338
  252    HA   SER  38           HA       SER  38  -2.572   9.769   2.074
  253   1HB   SER  38           HB2      SER  38  -1.424  11.538   4.182
  254   2HB   SER  38           HB1      SER  38  -1.716  12.253   2.599
  255    HG   SER  38           HG       SER  38  -3.546  12.380   3.984
  256    H    THR  39           HN       THR  39  -1.470  11.727   0.648
  257    HA   THR  39           HA       THR  39   0.724  10.435  -0.720
  258    HB   THR  39           HB       THR  39   0.733  12.470  -2.128
  259    HG1  THR  39           HG1      THR  39  -0.909  14.054  -1.543
  260   1HG2  THR  39          HG22      THR  39  -1.046  10.609  -2.285
  261   2HG2  THR  39          HG21      THR  39  -2.135  11.766  -1.517
  262   3HG2  THR  39          HG23      THR  39  -1.409  12.143  -3.079
  263    H    LYS  40           HN       LYS  40   0.488  12.920   1.739
  264    HA   LYS  40           HA       LYS  40   3.338  13.639   1.445
  265   1HB   LYS  40           HB2      LYS  40   1.165  15.087   2.241
  266   2HB   LYS  40           HB1      LYS  40   1.835  14.608   3.801
  267   1HG   LYS  40           HG2      LYS  40   4.053  15.356   2.243
  268   2HG   LYS  40           HG1      LYS  40   2.825  16.580   1.923
  269   1HD   LYS  40           HD2      LYS  40   3.169  17.503   3.944
  270   2HD   LYS  40           HD1      LYS  40   2.826  15.962   4.731
  271   1HE   LYS  40           HE2      LYS  40   5.000  15.812   5.287
  272   2HE   LYS  40           HE1      LYS  40   5.392  15.700   3.571
  273   1HZ   LYS  40           HZ3      LYS  40   5.110  18.265   3.676
  274   2HZ   LYS  40           HZ2      LYS  40   5.413  18.049   5.334
  275   3HZ   LYS  40           HZ1      LYS  40   6.561  17.552   4.185
  276    H    GLU  41           HN       GLU  41   1.472  11.325   3.098
  277    HA   GLU  41           HA       GLU  41   3.354  11.101   5.366
  278   1HB   GLU  41           HB2      GLU  41   0.684  10.602   5.176
  279   2HB   GLU  41           HB1      GLU  41   1.332   8.981   4.925
  280   1HG   GLU  41           HG2      GLU  41   2.204  10.764   7.209
  281   2HG   GLU  41           HG1      GLU  41   0.888   9.600   7.349
  282    H    LEU  42           HN       LEU  42   2.212   9.013   2.690
  283    HA   LEU  42           HA       LEU  42   4.314   7.055   3.158
  284   1HB   LEU  42           HB2      LEU  42   3.450   5.941   1.196
  285   2HB   LEU  42           HB1      LEU  42   2.069   6.541   2.115
  286    HG   LEU  42           HG       LEU  42   2.743   8.679   0.463
  287   1HD1  LEU  42          HD12      LEU  42   4.216   6.988  -0.753
  288   2HD1  LEU  42          HD11      LEU  42   2.729   6.158  -1.210
  289   3HD1  LEU  42          HD13      LEU  42   3.018   7.811  -1.751
  290   1HD2  LEU  42          HD23      LEU  42   0.501   7.446   1.140
  291   2HD2  LEU  42          HD22      LEU  42   0.577   8.393  -0.345
  292   3HD2  LEU  42          HD21      LEU  42   0.725   6.637  -0.412
  293    H    GLY  43           HN       GLY  43   4.000   9.974   1.289
  294   1HA   GLY  43           HA2      GLY  43   6.130   9.405  -0.587
  295   2HA   GLY  43           HA1      GLY  43   5.462  11.002  -0.244
  296    H    THR  44           HN       THR  44   5.966  11.029   2.568
  297    HA   THR  44           HA       THR  44   8.778  11.790   2.527
  298    HB   THR  44           HB       THR  44   8.259  12.078   5.079
  299    HG1  THR  44           HG1      THR  44   6.137  12.029   5.582
  300   1HG2  THR  44          HG21      THR  44   8.067  13.722   2.902
  301   2HG2  THR  44          HG23      THR  44   6.435  13.828   3.559
  302   3HG2  THR  44          HG22      THR  44   7.820  14.248   4.567
  303    H    VAL  45           HN       VAL  45   7.329   8.826   2.766
  304    HA   VAL  45           HA       VAL  45   9.142   7.737   4.828
  305    HB   VAL  45           HB       VAL  45   7.052   6.411   3.067
  306   1HG1  VAL  45          HG13      VAL  45   9.227   5.258   4.462
  307   2HG1  VAL  45          HG12      VAL  45   7.795   4.947   5.443
  308   3HG1  VAL  45          HG11      VAL  45   7.842   4.420   3.761
  309   1HG2  VAL  45          HG22      VAL  45   6.703   8.073   5.243
  310   2HG2  VAL  45          HG21      VAL  45   5.553   6.842   4.720
  311   3HG2  VAL  45          HG23      VAL  45   6.719   6.475   5.991
  312    H    MET  46           HN       MET  46   8.654   7.646   1.320
  313    HA   MET  46           HA       MET  46  11.000   5.882   0.981
  314   1HB   MET  46           HB2      MET  46   8.900   7.016  -0.851
  315   2HB   MET  46           HB1      MET  46  10.397   6.369  -1.523
  316   1HG   MET  46           HG2      MET  46   8.655   4.626  -1.431
  317   2HG   MET  46           HG1      MET  46   9.997   4.230  -0.357
  318   1HE   MET  46           HE3      MET  46   6.668   6.128  -0.619
  319   2HE   MET  46           HE2      MET  46   6.295   4.409  -0.713
  320   3HE   MET  46           HE1      MET  46   5.706   5.358   0.650
  321    H    ARG  47           HN       ARG  47  10.278   9.231   1.104
  322    HA   ARG  47           HA       ARG  47  12.295  10.221  -0.689
  323   1HB   ARG  47           HB2      ARG  47  11.934  12.353   0.343
  324   2HB   ARG  47           HB1      ARG  47  10.368  11.543   0.326
  325   1HG   ARG  47           HG2      ARG  47  10.499  11.002   2.637
  326   2HG   ARG  47           HG1      ARG  47  12.222  11.373   2.709
  327   1HD   ARG  47           HD2      ARG  47  10.586  13.137   3.655
  328   2HD   ARG  47           HD1      ARG  47  11.849  13.700   2.561
  329    HE   ARG  47           HE       ARG  47   9.379  13.015   1.175
  330   1HH1  ARG  47          HH21      ARG  47  11.177  15.406   2.905
  331   2HH1  ARG  47          HH22      ARG  47  10.300  16.737   2.228
  332   1HH2  ARG  47          HH11      ARG  47   8.205  14.742   0.320
  333   2HH2  ARG  47          HH12      ARG  47   8.622  16.363   0.768
  334    H    MET  48           HN       MET  48  12.353   9.113   2.637
  335    HA   MET  48           HA       MET  48  14.657  10.174   3.702
  336   1HB   MET  48           HB2      MET  48  13.580   7.363   3.764
  337   2HB   MET  48           HB1      MET  48  15.077   7.767   4.605
  338   1HG   MET  48           HG2      MET  48  14.011   9.183   6.109
  339   2HG   MET  48           HG1      MET  48  12.676   9.517   5.006
  340   1HE   MET  48           HE2      MET  48  14.575   6.571   6.460
  341   2HE   MET  48           HE1      MET  48  13.970   7.305   7.943
  342   3HE   MET  48           HE3      MET  48  13.402   5.705   7.449
  343    H    LEU  49           HN       LEU  49  15.219   6.908   2.553
  344    HA   LEU  49           HA       LEU  49  17.784   7.816   1.426
  345   1HB   LEU  49           HB2      LEU  49  18.154   5.311   1.067
  346   2HB   LEU  49           HB1      LEU  49  18.045   5.861   2.732
  347    HG   LEU  49           HG       LEU  49  16.731   3.723   1.976
  348   1HD1  LEU  49          HD13      LEU  49  16.202   5.820   3.908
  349   2HD1  LEU  49          HD12      LEU  49  14.716   4.993   3.441
  350   3HD1  LEU  49          HD11      LEU  49  16.072   4.071   4.089
  351   1HD2  LEU  49          HD21      LEU  49  14.888   5.947   1.043
  352   2HD2  LEU  49          HD23      LEU  49  15.575   4.660   0.058
  353   3HD2  LEU  49          HD22      LEU  49  14.385   4.281   1.300
  354    H    GLY  50           HN       GLY  50  15.717   8.793  -0.102
  355   1HA   GLY  50           HA2      GLY  50  16.177   7.313  -2.636
  356   2HA   GLY  50           HA1      GLY  50  14.509   7.660  -2.174
  357    H    GLN  51           HN       GLN  51  13.683   9.590  -2.818
  358    HA   GLN  51           HA       GLN  51  15.512  11.893  -3.264
  359   1HB   GLN  51           HB2      GLN  51  13.451  11.564  -5.350
  360   2HB   GLN  51           HB1      GLN  51  15.128  12.077  -5.510
  361   1HG   GLN  51           HG2      GLN  51  14.420   9.194  -4.956
  362   2HG   GLN  51           HG1      GLN  51  14.453   9.831  -6.597
  363   1HE2  GLN  51          HE22      GLN  51  17.899   8.641  -5.140
  364   2HE2  GLN  51          HE21      GLN  51  16.367   8.041  -4.723
  365    H    ASN  52           HN       ASN  52  14.338  13.920  -2.903
  366    HA   ASN  52           HA       ASN  52  11.927  13.644  -1.393
  367   1HB   ASN  52           HB2      ASN  52  13.062  15.980  -2.958
  368   2HB   ASN  52           HB1      ASN  52  11.587  16.104  -1.999
  369   1HD2  ASN  52          HD22      ASN  52  13.288  16.214   1.100
  370   2HD2  ASN  52          HD21      ASN  52  11.787  16.163   0.310
  371    HA   PRO  53           HA       PRO  53   9.488  12.867  -5.029
  372   1HB   PRO  53           HB2      PRO  53   7.244  12.078  -3.667
  373   2HB   PRO  53           HB1      PRO  53   8.674  11.053  -3.872
  374   1HG   PRO  53           HG2      PRO  53   7.706  12.392  -1.422
  375   2HG   PRO  53           HG1      PRO  53   8.843  11.047  -1.591
  376   1HD   PRO  53           HD2      PRO  53   9.458  13.839  -1.137
  377   2HD   PRO  53           HD1      PRO  53  10.583  12.470  -1.274
  378    H    THR  54           HN       THR  54   7.680  13.886  -6.096
  379    HA   THR  54           HA       THR  54   7.080  16.585  -5.072
  380    HB   THR  54           HB       THR  54   6.097  15.309  -7.630
  381    HG1  THR  54           HG1      THR  54   8.061  15.408  -8.317
  382   1HG2  THR  54          HG22      THR  54   6.370  18.106  -6.564
  383   2HG2  THR  54          HG21      THR  54   6.346  17.809  -8.302
  384   3HG2  THR  54          HG23      THR  54   4.969  17.336  -7.308
  385    H    LYS  55           HN       LYS  55   4.800  17.371  -5.108
  386    HA   LYS  55           HA       LYS  55   3.054  15.665  -3.620
  387   1HB   LYS  55           HB2      LYS  55   2.893  18.153  -3.610
  388   2HB   LYS  55           HB1      LYS  55   2.329  18.100  -5.280
  389   1HG   LYS  55           HG2      LYS  55   0.482  16.524  -4.428
  390   2HG   LYS  55           HG1      LYS  55   0.942  17.052  -2.809
  391   1HD   LYS  55           HD2      LYS  55   0.737  19.462  -3.883
  392   2HD   LYS  55           HD1      LYS  55  -0.307  18.626  -5.033
  393   1HE   LYS  55           HE2      LYS  55  -1.906  19.091  -3.458
  394   2HE   LYS  55           HE1      LYS  55  -1.285  17.610  -2.729
  395   1HZ   LYS  55           HZ2      LYS  55   0.365  19.715  -1.936
  396   2HZ   LYS  55           HZ1      LYS  55  -1.240  20.213  -1.690
  397   3HZ   LYS  55           HZ3      LYS  55  -0.678  18.783  -0.973
  398    H    GLU  56           HN       GLU  56   3.407  16.351  -7.048
  399    HA   GLU  56           HA       GLU  56   1.031  14.791  -7.769
  400   1HB   GLU  56           HB2      GLU  56   2.113  16.804  -9.062
  401   2HB   GLU  56           HB1      GLU  56   3.200  15.573  -9.705
  402   1HG   GLU  56           HG2      GLU  56   0.929  14.270 -10.140
  403   2HG   GLU  56           HG1      GLU  56   0.250  15.899 -10.112
  404    H    GLU  57           HN       GLU  57   4.348  14.234  -7.096
  405    HA   GLU  57           HA       GLU  57   4.819  11.931  -8.722
  406   1HB   GLU  57           HB2      GLU  57   6.575  13.215  -7.454
  407   2HB   GLU  57           HB1      GLU  57   5.962  12.485  -5.970
  408   1HG   GLU  57           HG2      GLU  57   7.920  11.253  -6.932
  409   2HG   GLU  57           HG1      GLU  57   6.472  10.255  -6.795
  410    H    LEU  58           HN       LEU  58   3.420  12.342  -5.486
  411    HA   LEU  58           HA       LEU  58   3.067   9.467  -5.093
  412   1HB   LEU  58           HB2      LEU  58   2.084  11.912  -3.603
  413   2HB   LEU  58           HB1      LEU  58   1.650  10.269  -3.128
  414    HG   LEU  58           HG       LEU  58   3.587  10.929  -1.835
  415   1HD1  LEU  58          HD11      LEU  58   3.470   8.672  -3.425
  416   2HD1  LEU  58          HD13      LEU  58   5.067   9.321  -3.796
  417   3HD1  LEU  58          HD12      LEU  58   4.636   8.941  -2.130
  418   1HD2  LEU  58          HD23      LEU  58   4.218  12.632  -3.766
  419   2HD2  LEU  58          HD22      LEU  58   5.472  11.978  -2.712
  420   3HD2  LEU  58          HD21      LEU  58   5.228  11.297  -4.321
  421    H    ASP  59           HN       ASP  59   1.251  12.079  -6.506
  422    HA   ASP  59           HA       ASP  59  -1.376  10.982  -6.296
  423   1HB   ASP  59           HB2      ASP  59  -1.032  13.283  -7.028
  424   2HB   ASP  59           HB1      ASP  59  -0.148  12.730  -8.451
  425    H    ALA  60           HN       ALA  60   1.347  10.139  -8.296
  426    HA   ALA  60           HA       ALA  60  -0.086   8.775 -10.380
  427   1HB   ALA  60           HB3      ALA  60   2.716   8.857  -9.385
  428   2HB   ALA  60           HB2      ALA  60   2.255   7.427 -10.310
  429   3HB   ALA  60           HB1      ALA  60   2.101   9.030 -11.029
  430    H    ILE  61           HN       ILE  61   1.519   7.524  -7.434
  431    HA   ILE  61           HA       ILE  61   0.522   4.840  -7.788
  432    HB   ILE  61           HB       ILE  61   1.129   5.932  -5.065
  433   1HG1  ILE  61          HG12      ILE  61   3.601   5.210  -6.132
  434   2HG1  ILE  61          HG11      ILE  61   2.860   6.197  -7.396
  435   1HG2  ILE  61          HG22      ILE  61   1.719   3.392  -6.594
  436   2HG2  ILE  61          HG21      ILE  61   2.419   3.746  -5.014
  437   3HG2  ILE  61          HG23      ILE  61   0.671   3.590  -5.188
  438   1HD1  ILE  61          HD12      ILE  61   2.200   7.669  -5.234
  439   2HD1  ILE  61          HD11      ILE  61   3.704   6.955  -4.652
  440   3HD1  ILE  61          HD13      ILE  61   3.697   7.912  -6.133
  441    H    ILE  62           HN       ILE  62  -0.737   7.748  -6.289
  442    HA   ILE  62           HA       ILE  62  -2.781   6.557  -4.707
  443    HB   ILE  62           HB       ILE  62  -2.561   9.259  -6.052
  444   1HG1  ILE  62          HG12      ILE  62  -1.021   8.842  -4.196
  445   2HG1  ILE  62          HG11      ILE  62  -2.265   9.984  -3.683
  446   1HG2  ILE  62          HG22      ILE  62  -4.970   8.495  -5.750
  447   2HG2  ILE  62          HG21      ILE  62  -4.646   8.435  -4.017
  448   3HG2  ILE  62          HG23      ILE  62  -4.537   9.966  -4.881
  449   1HD1  ILE  62          HD13      ILE  62  -3.555   7.961  -2.795
  450   2HD1  ILE  62          HD12      ILE  62  -2.073   7.036  -3.035
  451   3HD1  ILE  62          HD11      ILE  62  -2.092   8.395  -1.910
  452    H    GLU  63           HN       GLU  63  -2.738   7.611  -8.104
  453    HA   GLU  63           HA       GLU  63  -5.513   6.929  -8.582
  454   1HB   GLU  63           HB2      GLU  63  -3.143   7.488 -10.372
  455   2HB   GLU  63           HB1      GLU  63  -4.701   6.993 -11.036
  456   1HG   GLU  63           HG2      GLU  63  -4.909   9.129  -9.026
  457   2HG   GLU  63           HG1      GLU  63  -3.989   9.593 -10.457
  458    H    GLU  64           HN       GLU  64  -2.682   5.089  -8.182
  459    HA   GLU  64           HA       GLU  64  -3.413   2.881  -9.940
  460   1HB   GLU  64           HB2      GLU  64  -1.062   3.306  -9.306
  461   2HB   GLU  64           HB1      GLU  64  -1.462   2.987  -7.618
  462   1HG   GLU  64           HG2      GLU  64  -0.455   1.021  -8.863
  463   2HG   GLU  64           HG1      GLU  64  -2.010   0.696  -8.096
  464    H    VAL  65           HN       VAL  65  -3.572   3.476  -6.421
  465    HA   VAL  65           HA       VAL  65  -5.424   1.133  -6.230
  466    HB   VAL  65           HB       VAL  65  -4.792   1.502  -3.672
  467   1HG1  VAL  65          HG13      VAL  65  -3.781  -0.125  -5.836
  468   2HG1  VAL  65          HG12      VAL  65  -2.497   0.196  -4.671
  469   3HG1  VAL  65          HG11      VAL  65  -4.003  -0.553  -4.140
  470   1HG2  VAL  65          HG23      VAL  65  -3.442   3.529  -4.123
  471   2HG2  VAL  65          HG22      VAL  65  -2.450   2.239  -3.444
  472   3HG2  VAL  65          HG21      VAL  65  -2.384   2.583  -5.171
  473    H    ASP  66           HN       ASP  66  -4.835   4.438  -5.018
  474    HA   ASP  66           HA       ASP  66  -7.512   4.600  -3.848
  475   1HB   ASP  66           HB2      ASP  66  -5.580   6.865  -4.397
  476   2HB   ASP  66           HB1      ASP  66  -6.906   6.848  -3.234
  477    H    GLU  67           HN       GLU  67  -8.543   3.994  -5.995
  478    HA   GLU  67           HA       GLU  67  -8.473   5.931  -8.159
  479   1HB   GLU  67           HB2      GLU  67  -9.062   3.418  -8.291
  480   2HB   GLU  67           HB1      GLU  67 -10.656   3.896  -7.707
  481   1HG   GLU  67           HG2      GLU  67 -11.002   4.059  -9.991
  482   2HG   GLU  67           HG1      GLU  67 -10.450   5.699  -9.647
  483    H    ASP  68           HN       ASP  68 -10.252   5.606  -5.202
  484    HA   ASP  68           HA       ASP  68 -12.622   7.032  -5.873
  485   1HB   ASP  68           HB2      ASP  68 -11.086   6.897  -3.262
  486   2HB   ASP  68           HB1      ASP  68 -12.703   7.582  -3.426
  487    H    GLY  69           HN       GLY  69  -9.351   8.099  -5.483
  488   1HA   GLY  69           HA2      GLY  69  -8.536  10.240  -6.173
  489   2HA   GLY  69           HA1      GLY  69 -10.193  10.847  -6.159
  490    H    SER  70           HN       SER  70  -9.043   9.041  -3.418
  491    HA   SER  70           HA       SER  70  -9.421  11.408  -1.716
  492   1HB   SER  70           HB2      SER  70  -9.178   8.483  -1.320
  493   2HB   SER  70           HB1      SER  70  -8.510   9.474  -0.027
  494    HG   SER  70           HG       SER  70 -11.060   9.978  -1.135
  495    H    GLY  71           HN       GLY  71  -6.761   9.150  -2.488
  496   1HA   GLY  71           HA2      GLY  71  -4.489   9.937  -2.847
  497   2HA   GLY  71           HA1      GLY  71  -4.858  11.350  -1.856
  498    H    THR  72           HN       THR  72  -5.846   8.156  -0.828
  499    HA   THR  72           HA       THR  72  -3.486   7.763   0.861
  500    HB   THR  72           HB       THR  72  -4.352   9.103   2.510
  501    HG1  THR  72           HG1      THR  72  -4.991   7.728   3.957
  502   1HG2  THR  72          HG22      THR  72  -6.973   8.609   1.127
  503   2HG2  THR  72          HG21      THR  72  -6.955   9.272   2.761
  504   3HG2  THR  72          HG23      THR  72  -6.157  10.139   1.448
  505    H    ILE  73           HN       ILE  73  -3.395   5.634   1.679
  506    HA   ILE  73           HA       ILE  73  -5.676   3.865   0.886
  507    HB   ILE  73           HB       ILE  73  -2.882   2.795   0.918
  508   1HG1  ILE  73          HG12      ILE  73  -3.269   3.549  -1.722
  509   2HG1  ILE  73          HG11      ILE  73  -3.824   4.962  -0.824
  510   1HG2  ILE  73          HG21      ILE  73  -5.081   1.507   0.486
  511   2HG2  ILE  73          HG23      ILE  73  -5.099   2.325  -1.076
  512   3HG2  ILE  73          HG22      ILE  73  -3.759   1.259  -0.654
  513   1HD1  ILE  73          HD12      ILE  73  -1.309   3.737   0.155
  514   2HD1  ILE  73          HD11      ILE  73  -1.213   4.507  -1.429
  515   3HD1  ILE  73          HD13      ILE  73  -1.737   5.439  -0.026
  516    H    ASP  74           HN       ASP  74  -5.871   1.911   2.212
  517    HA   ASP  74           HA       ASP  74  -4.916   2.389   4.990
  518   1HB   ASP  74           HB2      ASP  74  -6.973   0.368   4.057
  519   2HB   ASP  74           HB1      ASP  74  -6.705   0.948   5.702
  520    H    PHE  75           HN       PHE  75  -5.159  -0.335   5.859
  521    HA   PHE  75           HA       PHE  75  -2.626  -1.357   4.752
  522   1HB   PHE  75           HB2      PHE  75  -2.378  -2.510   6.723
  523   2HB   PHE  75           HB1      PHE  75  -3.512  -1.289   7.292
  524    HD1  PHE  75           HD2      PHE  75  -6.102  -2.002   6.528
  525    HD2  PHE  75           HD1      PHE  75  -2.854  -4.648   7.477
  526    HE1  PHE  75           HE2      PHE  75  -7.723  -3.789   7.095
  527    HE2  PHE  75           HE1      PHE  75  -4.475  -6.436   8.043
  528    HZ   PHE  75           HZ       PHE  75  -6.911  -6.007   7.855
  529    H    GLU  76           HN       GLU  76  -5.800  -1.632   3.890
  530    HA   GLU  76           HA       GLU  76  -5.751  -4.513   3.261
  531   1HB   GLU  76           HB2      GLU  76  -7.799  -2.426   2.462
  532   2HB   GLU  76           HB1      GLU  76  -8.007  -4.177   2.447
  533   1HG   GLU  76           HG2      GLU  76  -7.781  -4.264   4.877
  534   2HG   GLU  76           HG1      GLU  76  -7.452  -2.531   4.932
  535    H    GLU  77           HN       GLU  77  -6.168  -1.501   1.352
  536    HA   GLU  77           HA       GLU  77  -5.691  -2.796  -1.166
  537   1HB   GLU  77           HB2      GLU  77  -5.949  -0.017  -0.180
  538   2HB   GLU  77           HB1      GLU  77  -4.979  -0.206  -1.642
  539   1HG   GLU  77           HG2      GLU  77  -6.821  -0.556  -2.886
  540   2HG   GLU  77           HG1      GLU  77  -7.351  -1.849  -1.809
  541    H    PHE  78           HN       PHE  78  -3.575  -1.227   1.189
  542    HA   PHE  78           HA       PHE  78  -1.218  -0.928  -0.275
  543   1HB   PHE  78           HB2      PHE  78  -1.871  -0.769   2.382
  544   2HB   PHE  78           HB1      PHE  78  -0.824  -2.190   2.366
  545    HD1  PHE  78           HD2      PHE  78  -0.819   0.982   0.361
  546    HD2  PHE  78           HD1      PHE  78   1.316  -1.582   3.065
  547    HE1  PHE  78           HE2      PHE  78   1.173   2.449   0.178
  548    HE2  PHE  78           HE1      PHE  78   3.308  -0.117   2.881
  549    HZ   PHE  78           HZ       PHE  78   3.237   1.898   1.438
  550    H    LEU  79           HN       LEU  79  -2.786  -3.885   0.735
  551    HA   LEU  79           HA       LEU  79  -0.483  -5.600   0.314
  552   1HB   LEU  79           HB2      LEU  79  -3.396  -5.978   0.822
  553   2HB   LEU  79           HB1      LEU  79  -2.535  -7.314   0.058
  554    HG   LEU  79           HG       LEU  79  -0.788  -7.059   1.912
  555   1HD1  LEU  79          HD12      LEU  79  -2.766  -5.002   2.657
  556   2HD1  LEU  79          HD11      LEU  79  -2.294  -6.066   3.981
  557   3HD1  LEU  79          HD13      LEU  79  -1.068  -5.145   3.109
  558   1HD2  LEU  79          HD23      LEU  79  -3.076  -8.563   1.742
  559   2HD2  LEU  79          HD22      LEU  79  -1.865  -8.741   3.012
  560   3HD2  LEU  79          HD21      LEU  79  -3.303  -7.760   3.296
  561    H    VAL  80           HN       VAL  80  -3.430  -4.943  -1.612
  562    HA   VAL  80           HA       VAL  80  -2.786  -6.542  -3.845
  563    HB   VAL  80           HB       VAL  80  -4.292  -5.104  -5.121
  564   1HG1  VAL  80          HG11      VAL  80  -4.898  -6.082  -2.427
  565   2HG1  VAL  80          HG13      VAL  80  -5.986  -4.794  -2.945
  566   3HG1  VAL  80          HG12      VAL  80  -5.825  -6.255  -3.919
  567   1HG2  VAL  80          HG22      VAL  80  -3.158  -3.045  -3.690
  568   2HG2  VAL  80          HG21      VAL  80  -4.618  -2.898  -4.669
  569   3HG2  VAL  80          HG23      VAL  80  -4.745  -3.181  -2.933
  570    H    MET  81           HN       MET  81  -1.286  -3.651  -2.723
  571    HA   MET  81           HA       MET  81  -0.127  -2.962  -5.336
  572   1HB   MET  81           HB2      MET  81  -0.567  -1.109  -3.880
  573   2HB   MET  81           HB1      MET  81   0.268  -1.887  -2.534
  574   1HG   MET  81           HG2      MET  81   2.364  -1.408  -3.375
  575   2HG   MET  81           HG1      MET  81   1.814  -1.438  -5.051
  576   1HE   MET  81           HE3      MET  81   1.531  -0.018  -1.740
  577   2HE   MET  81           HE2      MET  81   1.732   1.727  -1.890
  578   3HE   MET  81           HE1      MET  81   0.124   1.017  -2.028
  579    H    MET  82           HN       MET  82   1.114  -4.167  -2.195
  580    HA   MET  82           HA       MET  82   3.746  -4.701  -3.348
  581   1HB   MET  82           HB2      MET  82   4.346  -5.507  -1.170
  582   2HB   MET  82           HB1      MET  82   3.312  -4.101  -0.917
  583   1HG   MET  82           HG2      MET  82   2.025  -5.422   0.382
  584   2HG   MET  82           HG1      MET  82   1.524  -6.241  -1.097
  585   1HE   MET  82           HE2      MET  82   2.304  -6.455   2.042
  586   2HE   MET  82           HE1      MET  82   1.802  -8.138   1.903
  587   3HE   MET  82           HE3      MET  82   3.438  -7.741   2.446
  588    H    VAL  83           HN       VAL  83   0.847  -6.238  -3.721
  589    HA   VAL  83           HA       VAL  83   1.729  -9.001  -3.408
  590    HB   VAL  83           HB       VAL  83  -0.680  -7.734  -4.733
  591   1HG1  VAL  83          HG13      VAL  83   0.020  -9.852  -5.890
  592   2HG1  VAL  83          HG12      VAL  83  -0.120 -10.689  -4.344
  593   3HG1  VAL  83          HG11      VAL  83  -1.548  -9.975  -5.092
  594   1HG2  VAL  83          HG22      VAL  83  -0.025  -8.394  -2.065
  595   2HG2  VAL  83          HG21      VAL  83  -1.610  -7.932  -2.687
  596   3HG2  VAL  83          HG23      VAL  83  -1.158  -9.635  -2.604
  597    H    ARG  84           HN       ARG  84   1.731  -6.617  -5.980
  598    HA   ARG  84           HA       ARG  84   2.032  -8.315  -8.226
  599   1HB   ARG  84           HB2      ARG  84   2.916  -5.525  -7.572
  600   2HB   ARG  84           HB1      ARG  84   3.538  -6.295  -9.033
  601   1HG   ARG  84           HG2      ARG  84   1.457  -6.389 -10.038
  602   2HG   ARG  84           HG1      ARG  84   0.600  -6.458  -8.498
  603   1HD   ARG  84           HD2      ARG  84   0.381  -4.214  -8.422
  604   2HD   ARG  84           HD1      ARG  84   2.090  -3.971  -8.787
  605    HE   ARG  84           HE       ARG  84   0.854  -4.748 -11.201
  606   1HH1  ARG  84          HH21      ARG  84   0.050  -2.411  -8.838
  607   2HH1  ARG  84          HH22      ARG  84  -0.161  -1.120  -9.975
  608   1HH2  ARG  84          HH11      ARG  84   0.860  -3.000 -12.703
  609   2HH2  ARG  84          HH12      ARG  84   0.296  -1.454 -12.161
  610    H    GLN  85           HN       GLN  85   4.905  -6.458  -7.492
  611    HA   GLN  85           HA       GLN  85   6.577  -8.795  -7.967
  612   1HB   GLN  85           HB2      GLN  85   8.454  -7.215  -7.488
  613   2HB   GLN  85           HB1      GLN  85   7.339  -6.593  -8.705
  614   1HG   GLN  85           HG2      GLN  85   6.878  -4.800  -7.428
  615   2HG   GLN  85           HG1      GLN  85   6.415  -5.842  -6.082
  616   1HE2  GLN  85          HE22      GLN  85   9.896  -5.895  -4.837
  617   2HE2  GLN  85          HE21      GLN  85   8.704  -7.035  -5.240
  618    H    MET  86           HN       MET  86   6.826 -10.308  -6.394
  619    HA   MET  86           HA       MET  86   6.388  -9.673  -3.583
  620   1HB   MET  86           HB2      MET  86   6.856 -12.088  -5.212
  621   2HB   MET  86           HB1      MET  86   7.549 -12.158  -3.590
  622   1HG   MET  86           HG2      MET  86   4.743 -11.153  -3.923
  623   2HG   MET  86           HG1      MET  86   5.042 -12.890  -3.991
  624   1HE   MET  86           HE2      MET  86   3.559 -13.322  -2.188
  625   2HE   MET  86           HE1      MET  86   3.746 -12.900  -0.488
  626   3HE   MET  86           HE3      MET  86   3.150 -11.699  -1.641
  627    H    LYS  87           HN       LYS  87   7.925  -9.057  -2.134
  628    HA   LYS  87           HA       LYS  87  10.602  -8.447  -2.989
  629   1HB   LYS  87           HB2      LYS  87   9.583  -8.767  -0.149
  630   2HB   LYS  87           HB1      LYS  87  11.010  -7.865  -0.661
  631   1HG   LYS  87           HG2      LYS  87   9.427  -6.473  -2.115
  632   2HG   LYS  87           HG1      LYS  87   8.109  -7.220  -1.211
  633   1HD   LYS  87           HD2      LYS  87  10.403  -5.943   0.257
  634   2HD   LYS  87           HD1      LYS  87   9.087  -4.946  -0.365
  635   1HE   LYS  87           HE2      LYS  87   7.483  -5.997   0.996
  636   2HE   LYS  87           HE1      LYS  87   8.501  -7.411   1.265
  637   1HZ   LYS  87           HZ2      LYS  87   9.345  -4.740   2.190
  638   2HZ   LYS  87           HZ1      LYS  87   8.295  -5.691   3.128
  639   3HZ   LYS  87           HZ3      LYS  87   9.843  -6.268   2.744
  640    H    GLU  88           HN       GLU  88   9.111 -11.298  -1.663
  641    HA   GLU  88           HA       GLU  88  11.181 -12.659  -0.418
  642   1HB   GLU  88           HB2      GLU  88   8.903 -13.597  -0.812
  643   2HB   GLU  88           HB1      GLU  88   9.330 -13.854  -2.505
  644   1HG   GLU  88           HG2      GLU  88  10.425 -15.759  -2.011
  645   2HG   GLU  88           HG1      GLU  88  11.371 -14.948  -0.763
  646    H    ASP  89           HN       ASP  89  10.838 -11.936  -3.847
  647    HA   ASP  89           HA       ASP  89  13.603 -12.109  -4.405
  648   1HB   ASP  89           HB2      ASP  89  12.757 -14.629  -3.941
  649   2HB   ASP  89           HB1      ASP  89  12.371 -14.509  -5.658
  650    H    ALA  90           HN       ALA  90  10.487 -13.061  -5.891
  651    HA   ALA  90           HA       ALA  90   9.608 -12.501  -8.006
  652   1HB   ALA  90           HB2      ALA  90  10.754  -9.933  -6.918
  653   2HB   ALA  90           HB1      ALA  90   9.953  -9.971  -8.489
  654   3HB   ALA  90           HB3      ALA  90   9.064 -10.422  -7.035
   
  No H/Q in entry =         654
  Start of MODEL   16
    1   1H    ALA   1           HT3      ALA   1 -10.911  -4.853  -9.024
    2   2H    ALA   1           HT2      ALA   1 -10.554  -6.450  -9.484
    3   3H    ALA   1           HT1      ALA   1 -11.883  -5.643 -10.168
    4    HA   ALA   1           HA       ALA   1 -13.082  -6.717  -8.633
    5   1HB   ALA   1           HB2      ALA   1 -10.371  -7.202  -7.545
    6   2HB   ALA   1           HB1      ALA   1 -11.676  -7.236  -6.358
    7   3HB   ALA   1           HB3      ALA   1 -11.718  -8.321  -7.749
    8    H    SER   2           HN       SER   2 -14.366  -5.911  -6.920
    9    HA   SER   2           HA       SER   2 -14.252  -3.136  -6.386
   10   1HB   SER   2           HB2      SER   2 -15.746  -3.815  -4.363
   11   2HB   SER   2           HB1      SER   2 -16.338  -4.142  -5.989
   12    HG   SER   2           HG       SER   2 -15.888  -5.859  -4.021
   13    H    MET   3           HN       MET   3 -14.215  -5.148  -3.517
   14    HA   MET   3           HA       MET   3 -11.536  -4.065  -2.787
   15   1HB   MET   3           HB2      MET   3 -14.144  -3.643  -1.373
   16   2HB   MET   3           HB1      MET   3 -12.684  -3.836  -0.402
   17   1HG   MET   3           HG2      MET   3 -12.767  -1.915  -2.725
   18   2HG   MET   3           HG1      MET   3 -13.329  -1.436  -1.124
   19   1HE   MET   3           HE3      MET   3 -10.818  -0.944  -3.373
   20   2HE   MET   3           HE2      MET   3  -9.227  -1.333  -2.726
   21   3HE   MET   3           HE1      MET   3 -10.278  -2.626  -3.298
   22    H    THR   4           HN       THR   4 -14.146  -6.364  -2.087
   23    HA   THR   4           HA       THR   4 -12.478  -7.982  -0.323
   24    HB   THR   4           HB       THR   4 -15.031  -7.839  -0.267
   25    HG1  THR   4           HG1      THR   4 -14.541  -9.510   0.894
   26   1HG2  THR   4          HG21      THR   4 -15.232  -8.125  -2.774
   27   2HG2  THR   4          HG23      THR   4 -14.798  -9.819  -2.544
   28   3HG2  THR   4          HG22      THR   4 -16.277  -9.182  -1.826
   29    H    ASP   5           HN       ASP   5 -13.606  -8.216  -3.694
   30    HA   ASP   5           HA       ASP   5 -12.227 -10.726  -4.176
   31   1HB   ASP   5           HB2      ASP   5 -13.572  -8.669  -5.920
   32   2HB   ASP   5           HB1      ASP   5 -12.629  -9.974  -6.641
   33    H    GLN   6           HN       GLN   6 -11.288  -7.426  -4.056
   34    HA   GLN   6           HA       GLN   6  -8.911  -7.835  -5.761
   35   1HB   GLN   6           HB2      GLN   6 -10.114  -5.667  -5.817
   36   2HB   GLN   6           HB1      GLN   6  -9.753  -5.436  -4.106
   37   1HG   GLN   6           HG2      GLN   6  -7.277  -6.044  -5.228
   38   2HG   GLN   6           HG1      GLN   6  -8.041  -5.001  -6.429
   39   1HE2  GLN   6          HE22      GLN   6  -7.888  -2.098  -4.403
   40   2HE2  GLN   6          HE21      GLN   6  -8.473  -2.784  -5.841
   41    H    GLN   7           HN       GLN   7  -9.771  -7.561  -2.351
   42    HA   GLN   7           HA       GLN   7  -6.985  -7.513  -1.464
   43   1HB   GLN   7           HB2      GLN   7  -7.905  -7.627   0.777
   44   2HB   GLN   7           HB1      GLN   7  -8.878  -6.493  -0.159
   45   1HG   GLN   7           HG2      GLN   7 -10.497  -8.340  -0.628
   46   2HG   GLN   7           HG1      GLN   7  -9.558  -9.387   0.436
   47   1HE2  GLN   7          HE22      GLN   7 -12.231  -7.916   2.544
   48   2HE2  GLN   7          HE21      GLN   7 -12.153  -8.990   1.233
   49    H    ALA   8           HN       ALA   8  -9.495  -9.937  -1.960
   50    HA   ALA   8           HA       ALA   8  -8.225 -12.084  -0.548
   51   1HB   ALA   8           HB2      ALA   8 -10.254 -11.929  -2.764
   52   2HB   ALA   8           HB1      ALA   8  -9.594 -13.489  -2.276
   53   3HB   ALA   8           HB3      ALA   8 -10.466 -12.495  -1.109
   54    H    GLU   9           HN       GLU   9  -8.198 -11.249  -4.031
   55    HA   GLU   9           HA       GLU   9  -6.530 -13.242  -5.003
   56   1HB   GLU   9           HB2      GLU   9  -7.307 -10.603  -5.834
   57   2HB   GLU   9           HB1      GLU   9  -5.589 -10.828  -6.163
   58   1HG   GLU   9           HG2      GLU   9  -6.035 -12.868  -7.400
   59   2HG   GLU   9           HG1      GLU   9  -7.743 -12.803  -6.964
   60    H    ALA  10           HN       ALA  10  -5.536 -10.277  -3.296
   61    HA   ALA  10           HA       ALA  10  -2.705 -10.879  -3.509
   62   1HB   ALA  10           HB2      ALA  10  -4.372  -8.889  -2.012
   63   2HB   ALA  10           HB1      ALA  10  -2.702  -9.144  -1.509
   64   3HB   ALA  10           HB3      ALA  10  -3.056  -8.610  -3.152
   65    H    ARG  11           HN       ARG  11  -5.227 -11.508  -1.107
   66    HA   ARG  11           HA       ARG  11  -3.486 -12.382   0.998
   67   1HB   ARG  11           HB2      ARG  11  -5.967 -11.842   1.190
   68   2HB   ARG  11           HB1      ARG  11  -6.279 -13.421   0.467
   69   1HG   ARG  11           HG2      ARG  11  -6.033 -14.375   2.488
   70   2HG   ARG  11           HG1      ARG  11  -4.362 -13.813   2.530
   71   1HD   ARG  11           HD2      ARG  11  -5.072 -12.640   4.354
   72   2HD   ARG  11           HD1      ARG  11  -5.674 -11.508   3.142
   73    HE   ARG  11           HE       ARG  11  -7.519 -13.674   3.939
   74   1HH1  ARG  11          HH11      ARG  11  -7.544 -10.604   2.848
   75   2HH1  ARG  11          HH12      ARG  11  -8.560  -9.936   4.082
   76   1HH2  ARG  11          HH21      ARG  11  -8.374 -12.731   6.125
   77   2HH2  ARG  11          HH22      ARG  11  -9.027 -11.138   5.936
   78    H    ALA  12           HN       ALA  12  -4.268 -13.786  -2.016
   79    HA   ALA  12           HA       ALA  12  -4.315 -16.530  -1.590
   80   1HB   ALA  12           HB3      ALA  12  -3.296 -14.775  -3.744
   81   2HB   ALA  12           HB2      ALA  12  -2.618 -16.404  -3.721
   82   3HB   ALA  12           HB1      ALA  12  -4.363 -16.175  -3.842
   83    H    PHE  13           HN       PHE  13  -1.250 -14.816  -2.304
   84    HA   PHE  13           HA       PHE  13   0.212 -16.955  -0.881
   85   1HB   PHE  13           HB2      PHE  13   1.658 -14.587  -1.961
   86   2HB   PHE  13           HB1      PHE  13   2.067 -16.298  -2.069
   87    HD1  PHE  13           HD1      PHE  13   0.738 -17.778  -3.664
   88    HD2  PHE  13           HD2      PHE  13   0.501 -13.490  -3.712
   89    HE1  PHE  13           HE1      PHE  13  -0.228 -17.856  -5.947
   90    HE2  PHE  13           HE2      PHE  13  -0.465 -13.567  -5.994
   91    HZ   PHE  13           HZ       PHE  13  -0.829 -15.751  -7.112
   92    H    LEU  14           HN       LEU  14  -0.999 -13.799  -0.275
   93    HA   LEU  14           HA       LEU  14   0.960 -13.064   1.749
   94   1HB   LEU  14           HB2      LEU  14  -1.619 -11.963   0.735
   95   2HB   LEU  14           HB1      LEU  14  -1.128 -11.494   2.363
   96    HG   LEU  14           HG       LEU  14  -0.302  -9.955   0.528
   97   1HD1  LEU  14          HD13      LEU  14   0.920 -10.799   2.848
   98   2HD1  LEU  14          HD12      LEU  14   2.190 -11.047   1.650
   99   3HD1  LEU  14          HD11      LEU  14   1.471  -9.451   1.853
  100   1HD2  LEU  14          HD21      LEU  14   1.283 -12.451  -0.148
  101   2HD2  LEU  14          HD23      LEU  14   0.181 -11.569  -1.206
  102   3HD2  LEU  14          HD22      LEU  14   1.713 -10.841  -0.723
  103    H    SER  15           HN       SER  15   0.882 -15.113   2.985
  104    HA   SER  15           HA       SER  15  -1.397 -16.179   4.249
  105   1HB   SER  15           HB2      SER  15   0.526 -16.533   6.162
  106   2HB   SER  15           HB1      SER  15   0.350 -17.555   4.739
  107    HG   SER  15           HG       SER  15   2.482 -16.716   4.996
  108    H    GLU  16           HN       GLU  16  -1.849 -15.989   6.690
  109    HA   GLU  16           HA       GLU  16  -2.439 -13.214   7.287
  110   1HB   GLU  16           HB2      GLU  16  -3.464 -15.640   8.104
  111   2HB   GLU  16           HB1      GLU  16  -2.584 -15.104   9.535
  112   1HG   GLU  16           HG2      GLU  16  -3.914 -12.818   8.548
  113   2HG   GLU  16           HG1      GLU  16  -5.092 -14.130   8.486
  114    H    GLU  17           HN       GLU  17   0.218 -15.320   7.930
  115    HA   GLU  17           HA       GLU  17   1.195 -13.871  10.268
  116   1HB   GLU  17           HB2      GLU  17   1.697 -16.330   9.541
  117   2HB   GLU  17           HB1      GLU  17   2.916 -15.596   8.499
  118   1HG   GLU  17           HG2      GLU  17   4.183 -15.894  10.407
  119   2HG   GLU  17           HG1      GLU  17   3.524 -14.294  10.746
  120    H    MET  18           HN       MET  18   1.572 -13.659   6.792
  121    HA   MET  18           HA       MET  18   3.938 -11.999   6.831
  122   1HB   MET  18           HB2      MET  18   1.986 -12.939   4.833
  123   2HB   MET  18           HB1      MET  18   2.645 -11.338   4.495
  124   1HG   MET  18           HG2      MET  18   4.953 -12.377   4.973
  125   2HG   MET  18           HG1      MET  18   4.143 -13.938   4.842
  126   1HE   MET  18           HE2      MET  18   6.147 -14.093   3.271
  127   2HE   MET  18           HE1      MET  18   6.093 -13.683   1.559
  128   3HE   MET  18           HE3      MET  18   6.576 -12.467   2.747
  129    H    ILE  19           HN       ILE  19   0.515 -11.165   6.147
  130    HA   ILE  19           HA       ILE  19   0.845  -8.361   6.207
  131    HB   ILE  19           HB       ILE  19  -1.573  -9.919   7.166
  132   1HG1  ILE  19          HG12      ILE  19  -1.888  -8.958   4.515
  133   2HG1  ILE  19          HG11      ILE  19  -0.319  -9.760   4.575
  134   1HG2  ILE  19          HG23      ILE  19  -1.075  -7.192   7.222
  135   2HG2  ILE  19          HG22      ILE  19  -1.955  -7.407   5.710
  136   3HG2  ILE  19          HG21      ILE  19  -2.671  -7.942   7.230
  137   1HD1  ILE  19          HD13      ILE  19  -1.811 -11.538   5.979
  138   2HD1  ILE  19          HD12      ILE  19  -3.037 -10.904   4.881
  139   3HD1  ILE  19          HD11      ILE  19  -1.571 -11.641   4.235
  140    H    ALA  20           HN       ALA  20  -0.031 -10.563   8.877
  141    HA   ALA  20           HA       ALA  20  -0.288  -8.673  10.935
  142   1HB   ALA  20           HB3      ALA  20  -0.279 -11.409  10.811
  143   2HB   ALA  20           HB2      ALA  20   1.222 -11.097  11.685
  144   3HB   ALA  20           HB1      ALA  20  -0.309 -10.484  12.312
  145    H    GLU  21           HN       GLU  21   2.652 -10.017   9.493
  146    HA   GLU  21           HA       GLU  21   4.509  -8.978  11.399
  147   1HB   GLU  21           HB2      GLU  21   4.839 -10.615   9.354
  148   2HB   GLU  21           HB1      GLU  21   5.194  -9.124   8.480
  149   1HG   GLU  21           HG2      GLU  21   7.058  -8.629   9.825
  150   2HG   GLU  21           HG1      GLU  21   6.522  -9.698  11.121
  151    H    PHE  22           HN       PHE  22   3.600  -7.645   8.196
  152    HA   PHE  22           HA       PHE  22   4.946  -5.160   8.534
  153   1HB   PHE  22           HB2      PHE  22   2.503  -5.892   6.896
  154   2HB   PHE  22           HB1      PHE  22   3.317  -4.332   6.785
  155    HD1  PHE  22           HD2      PHE  22   6.147  -5.039   7.025
  156    HD2  PHE  22           HD1      PHE  22   2.993  -7.042   4.905
  157    HE1  PHE  22           HE2      PHE  22   7.813  -6.015   5.469
  158    HE2  PHE  22           HE1      PHE  22   4.660  -8.020   3.349
  159    HZ   PHE  22           HZ       PHE  22   7.070  -7.506   3.632
  160    H    LYS  23           HN       LYS  23   2.013  -6.362   9.909
  161    HA   LYS  23           HA       LYS  23   0.422  -4.157  10.385
  162   1HB   LYS  23           HB2      LYS  23   0.194  -6.560  11.299
  163   2HB   LYS  23           HB1      LYS  23   1.184  -6.005  12.649
  164   1HG   LYS  23           HG2      LYS  23  -1.038  -5.652  13.380
  165   2HG   LYS  23           HG1      LYS  23  -0.503  -4.059  12.841
  166   1HD   LYS  23           HD2      LYS  23  -2.088  -3.995  11.242
  167   2HD   LYS  23           HD1      LYS  23  -1.600  -5.574  10.625
  168   1HE   LYS  23           HE2      LYS  23  -3.449  -6.489  11.516
  169   2HE   LYS  23           HE1      LYS  23  -2.915  -5.990  13.122
  170   1HZ   LYS  23           HZ1      LYS  23  -3.840  -3.728  12.496
  171   2HZ   LYS  23           HZ3      LYS  23  -4.630  -4.515  11.219
  172   3HZ   LYS  23           HZ2      LYS  23  -4.967  -4.956  12.826
  173    H    ALA  24           HN       ALA  24   3.574  -4.830  11.823
  174    HA   ALA  24           HA       ALA  24   3.383  -2.644  13.747
  175   1HB   ALA  24           HB3      ALA  24   4.820  -4.662  14.100
  176   2HB   ALA  24           HB2      ALA  24   5.847  -4.119  12.773
  177   3HB   ALA  24           HB1      ALA  24   5.713  -3.147  14.240
  178    H    ALA  25           HN       ALA  25   5.066  -3.137  10.635
  179    HA   ALA  25           HA       ALA  25   6.194  -0.469  10.606
  180   1HB   ALA  25           HB3      ALA  25   6.575  -2.791   9.141
  181   2HB   ALA  25           HB2      ALA  25   5.798  -1.711   7.983
  182   3HB   ALA  25           HB1      ALA  25   7.295  -1.222   8.778
  183    H    PHE  26           HN       PHE  26   3.041  -1.557  10.203
  184    HA   PHE  26           HA       PHE  26   2.307   0.482   8.195
  185   1HB   PHE  26           HB2      PHE  26   1.213  -1.730   8.125
  186   2HB   PHE  26           HB1      PHE  26   0.588  -1.471   9.754
  187    HD1  PHE  26           HD1      PHE  26   0.730   0.331   6.460
  188    HD2  PHE  26           HD2      PHE  26  -1.580  -0.652   9.945
  189    HE1  PHE  26           HE1      PHE  26  -1.211   1.555   5.519
  190    HE2  PHE  26           HE2      PHE  26  -3.521   0.574   9.005
  191    HZ   PHE  26           HZ       PHE  26  -3.335   1.677   6.791
  192    H    ASP  27           HN       ASP  27   1.685  -0.231  11.634
  193    HA   ASP  27           HA       ASP  27  -0.015   1.965  12.180
  194   1HB   ASP  27           HB2      ASP  27   2.058   0.732  14.020
  195   2HB   ASP  27           HB1      ASP  27   0.664   1.690  14.522
  196    H    MET  28           HN       MET  28   3.521   1.794  12.023
  197    HA   MET  28           HA       MET  28   4.166   4.292  13.155
  198   1HB   MET  28           HB2      MET  28   5.838   2.598  12.423
  199   2HB   MET  28           HB1      MET  28   5.478   3.002  10.744
  200   1HG   MET  28           HG2      MET  28   6.141   5.279  12.537
  201   2HG   MET  28           HG1      MET  28   7.466   4.189  12.125
  202   1HE   MET  28           HE3      MET  28   8.636   4.044  10.409
  203   2HE   MET  28           HE2      MET  28   8.545   4.844   8.842
  204   3HE   MET  28           HE1      MET  28   8.974   5.776  10.273
  205    H    PHE  29           HN       PHE  29   2.865   3.532   9.963
  206    HA   PHE  29           HA       PHE  29   3.268   6.216   8.916
  207   1HB   PHE  29           HB2      PHE  29   1.717   3.796   8.014
  208   2HB   PHE  29           HB1      PHE  29   1.513   5.347   7.200
  209    HD1  PHE  29           HD2      PHE  29   4.257   3.114   8.457
  210    HD2  PHE  29           HD1      PHE  29   2.939   5.858   5.426
  211    HE1  PHE  29           HE2      PHE  29   6.358   2.732   7.198
  212    HE2  PHE  29           HE1      PHE  29   5.041   5.476   4.166
  213    HZ   PHE  29           HZ       PHE  29   6.751   3.913   5.053
  214    H    ASP  30           HN       ASP  30   0.261   4.437   9.735
  215    HA   ASP  30           HA       ASP  30  -1.413   6.741   9.687
  216   1HB   ASP  30           HB2      ASP  30  -2.870   5.279  11.264
  217   2HB   ASP  30           HB1      ASP  30  -2.540   4.668   9.643
  218    H    ALA  31           HN       ALA  31  -0.584   8.480  10.872
  219    HA   ALA  31           HA       ALA  31  -0.225   8.009  13.805
  220   1HB   ALA  31           HB1      ALA  31   1.810   8.803  12.556
  221   2HB   ALA  31           HB3      ALA  31   0.926  10.272  12.148
  222   3HB   ALA  31           HB2      ALA  31   1.291   9.903  13.833
  223    H    ASP  32           HN       ASP  32  -1.900   9.812  11.342
  224    HA   ASP  32           HA       ASP  32  -3.337  11.306  13.500
  225   1HB   ASP  32           HB2      ASP  32  -1.879  12.458  11.498
  226   2HB   ASP  32           HB1      ASP  32  -3.476  12.386  10.751
  227    H    GLY  33           HN       GLY  33  -3.562   9.011  11.004
  228   1HA   GLY  33           HA2      GLY  33  -6.509   9.430  10.768
  229   2HA   GLY  33           HA1      GLY  33  -5.532   8.516   9.617
  230    H    GLY  34           HN       GLY  34  -4.297   6.606  10.759
  231   1HA   GLY  34           HA2      GLY  34  -4.358   4.858  12.440
  232   2HA   GLY  34           HA1      GLY  34  -5.983   5.383  12.883
  233    H    GLY  35           HN       GLY  35  -4.378   4.332   9.852
  234   1HA   GLY  35           HA2      GLY  35  -5.135   1.999   9.090
  235   2HA   GLY  35           HA1      GLY  35  -6.770   2.605   9.359
  236    H    ASP  36           HN       ASP  36  -4.211   4.614   8.026
  237    HA   ASP  36           HA       ASP  36  -4.690   4.174   5.261
  238   1HB   ASP  36           HB2      ASP  36  -6.047   6.347   4.897
  239   2HB   ASP  36           HB1      ASP  36  -6.925   4.929   5.471
  240    H    ILE  37           HN       ILE  37  -3.827   6.082   3.939
  241    HA   ILE  37           HA       ILE  37  -2.356   8.155   5.356
  242    HB   ILE  37           HB       ILE  37  -0.175   7.098   4.096
  243   1HG1  ILE  37          HG12      ILE  37  -1.728   4.767   5.272
  244   2HG1  ILE  37          HG11      ILE  37  -1.414   5.011   3.553
  245   1HG2  ILE  37          HG21      ILE  37  -0.985   7.701   6.683
  246   2HG2  ILE  37          HG23      ILE  37  -0.497   6.010   6.791
  247   3HG2  ILE  37          HG22      ILE  37   0.641   7.220   6.199
  248   1HD1  ILE  37          HD12      ILE  37   1.007   5.174   5.202
  249   2HD1  ILE  37          HD11      ILE  37   0.216   3.600   5.283
  250   3HD1  ILE  37          HD13      ILE  37   0.715   4.257   3.725
  251    H    SER  38           HN       SER  38  -1.789   9.809   3.944
  252    HA   SER  38           HA       SER  38  -2.665   9.430   1.129
  253   1HB   SER  38           HB2      SER  38  -2.194  12.058   1.244
  254   2HB   SER  38           HB1      SER  38  -3.696  11.366   1.851
  255    HG   SER  38           HG       SER  38  -3.019  12.464   3.563
  256    H    THR  39           HN       THR  39  -1.238  11.086  -0.349
  257    HA   THR  39           HA       THR  39   1.314   9.840  -0.623
  258    HB   THR  39           HB       THR  39   1.794  11.605  -2.260
  259    HG1  THR  39           HG1      THR  39  -0.652  12.822  -1.677
  260   1HG2  THR  39          HG21      THR  39  -0.830  10.220  -2.185
  261   2HG2  THR  39          HG23      THR  39  -0.633  11.479  -3.403
  262   3HG2  THR  39          HG22      THR  39   0.472  10.105  -3.367
  263    H    LYS  40           HN       LYS  40   0.282  12.752   1.084
  264    HA   LYS  40           HA       LYS  40   2.957  13.719   1.606
  265   1HB   LYS  40           HB2      LYS  40   1.088  15.256   1.756
  266   2HB   LYS  40           HB1      LYS  40   0.314  14.258   2.989
  267   1HG   LYS  40           HG2      LYS  40   2.040  14.735   4.584
  268   2HG   LYS  40           HG1      LYS  40   3.059  15.479   3.352
  269   1HD   LYS  40           HD2      LYS  40   1.986  17.234   4.660
  270   2HD   LYS  40           HD1      LYS  40   1.316  17.237   3.028
  271   1HE   LYS  40           HE2      LYS  40  -0.751  16.815   3.813
  272   2HE   LYS  40           HE1      LYS  40  -0.169  15.411   4.709
  273   1HZ   LYS  40           HZ3      LYS  40   0.409  18.094   5.746
  274   2HZ   LYS  40           HZ2      LYS  40  -1.156  17.461   5.950
  275   3HZ   LYS  40           HZ1      LYS  40   0.187  16.638   6.586
  276    H    GLU  41           HN       GLU  41   0.908  11.320   3.082
  277    HA   GLU  41           HA       GLU  41   2.432  11.270   5.588
  278   1HB   GLU  41           HB2      GLU  41   0.464   9.215   4.543
  279   2HB   GLU  41           HB1      GLU  41   0.984   9.439   6.214
  280   1HG   GLU  41           HG2      GLU  41  -0.410  11.607   4.628
  281   2HG   GLU  41           HG1      GLU  41  -1.280  10.448   5.633
  282    H    LEU  42           HN       LEU  42   1.762   8.549   3.365
  283    HA   LEU  42           HA       LEU  42   4.180   7.195   4.111
  284   1HB   LEU  42           HB2      LEU  42   3.467   5.493   2.723
  285   2HB   LEU  42           HB1      LEU  42   1.938   6.338   2.946
  286    HG   LEU  42           HG       LEU  42   3.843   6.776   0.623
  287   1HD1  LEU  42          HD11      LEU  42   1.777   4.794   1.120
  288   2HD1  LEU  42          HD13      LEU  42   1.376   5.790  -0.280
  289   3HD1  LEU  42          HD12      LEU  42   2.905   4.912  -0.231
  290   1HD2  LEU  42          HD21      LEU  42   2.208   8.642   1.515
  291   2HD2  LEU  42          HD23      LEU  42   2.301   8.315  -0.214
  292   3HD2  LEU  42          HD22      LEU  42   0.971   7.657   0.737
  293    H    GLY  43           HN       GLY  43   3.604   9.798   1.967
  294   1HA   GLY  43           HA2      GLY  43   5.901   9.225   0.231
  295   2HA   GLY  43           HA1      GLY  43   4.911  10.684   0.189
  296    H    THR  44           HN       THR  44   5.136  11.427   2.923
  297    HA   THR  44           HA       THR  44   7.903  12.467   2.876
  298    HB   THR  44           HB       THR  44   5.486  13.100   4.592
  299    HG1  THR  44           HG1      THR  44   5.266  14.179   2.762
  300   1HG2  THR  44          HG23      THR  44   8.319  14.156   4.737
  301   2HG2  THR  44          HG22      THR  44   6.939  14.954   5.490
  302   3HG2  THR  44          HG21      THR  44   7.419  13.339   6.015
  303    H    VAL  45           HN       VAL  45   5.792  10.991   5.380
  304    HA   VAL  45           HA       VAL  45   7.731  10.444   7.302
  305    HB   VAL  45           HB       VAL  45   5.464   8.608   6.457
  306   1HG1  VAL  45          HG12      VAL  45   7.518   8.438   8.516
  307   2HG1  VAL  45          HG11      VAL  45   5.899   8.440   9.215
  308   3HG1  VAL  45          HG13      VAL  45   6.339   7.227   8.013
  309   1HG2  VAL  45          HG23      VAL  45   5.531  11.214   7.727
  310   2HG2  VAL  45          HG22      VAL  45   4.134  10.258   7.232
  311   3HG2  VAL  45          HG21      VAL  45   4.852  10.011   8.824
  312    H    MET  46           HN       MET  46   7.149   8.795   4.250
  313    HA   MET  46           HA       MET  46   9.156   6.717   4.874
  314   1HB   MET  46           HB2      MET  46   6.938   6.446   3.488
  315   2HB   MET  46           HB1      MET  46   7.904   7.108   2.169
  316   1HG   MET  46           HG2      MET  46   9.280   5.263   2.063
  317   2HG   MET  46           HG1      MET  46   9.116   4.912   3.784
  318   1HE   MET  46           HE3      MET  46   8.037   4.788   0.384
  319   2HE   MET  46           HE2      MET  46   6.838   3.507   0.218
  320   3HE   MET  46           HE1      MET  46   6.323   5.134   0.656
  321    H    ARG  47           HN       ARG  47   8.723   9.449   2.627
  322    HA   ARG  47           HA       ARG  47  11.487   9.138   1.652
  323   1HB   ARG  47           HB2      ARG  47   9.337   9.939   0.330
  324   2HB   ARG  47           HB1      ARG  47   9.783  11.511   0.992
  325   1HG   ARG  47           HG2      ARG  47  12.202  10.460   0.086
  326   2HG   ARG  47           HG1      ARG  47  11.044   9.987  -1.158
  327   1HD   ARG  47           HD2      ARG  47  10.216  12.430  -1.054
  328   2HD   ARG  47           HD1      ARG  47  11.709  12.765  -0.177
  329    HE   ARG  47           HE       ARG  47  11.958  11.384  -2.788
  330   1HH1  ARG  47          HH21      ARG  47  14.432  12.268  -2.500
  331   2HH1  ARG  47          HH22      ARG  47  14.489  13.955  -2.891
  332   1HH2  ARG  47          HH11      ARG  47  11.065  14.414  -2.583
  333   2HH2  ARG  47          HH12      ARG  47  12.584  15.170  -2.934
  334    H    MET  48           HN       MET  48  10.628   9.996   4.499
  335    HA   MET  48           HA       MET  48  11.458  12.731   4.830
  336   1HB   MET  48           HB2      MET  48  10.439  10.691   6.476
  337   2HB   MET  48           HB1      MET  48  12.025  11.075   7.145
  338   1HG   MET  48           HG2      MET  48  11.083  13.579   6.647
  339   2HG   MET  48           HG1      MET  48   9.579  12.736   7.019
  340   1HE   MET  48           HE2      MET  48  10.063  10.639   8.463
  341   2HE   MET  48           HE1      MET  48  11.483  10.491   9.496
  342   3HE   MET  48           HE3      MET  48   9.951  11.065  10.170
  343    H    LEU  49           HN       LEU  49  13.166   9.692   4.578
  344    HA   LEU  49           HA       LEU  49  15.705  10.887   5.490
  345   1HB   LEU  49           HB2      LEU  49  15.193   8.150   4.283
  346   2HB   LEU  49           HB1      LEU  49  16.652   8.668   5.124
  347    HG   LEU  49           HG       LEU  49  15.457   7.471   6.766
  348   1HD1  LEU  49          HD11      LEU  49  16.025  10.038   7.221
  349   2HD1  LEU  49          HD13      LEU  49  14.272  10.142   7.395
  350   3HD1  LEU  49          HD12      LEU  49  15.199   9.051   8.426
  351   1HD2  LEU  49          HD23      LEU  49  13.266   7.920   5.161
  352   2HD2  LEU  49          HD22      LEU  49  13.207   7.171   6.757
  353   3HD2  LEU  49          HD21      LEU  49  12.886   8.896   6.581
  354    H    GLY  50           HN       GLY  50  13.930  10.986   2.690
  355   1HA   GLY  50           HA2      GLY  50  14.556  11.877   0.590
  356   2HA   GLY  50           HA1      GLY  50  16.234  11.885   1.133
  357    H    GLN  51           HN       GLN  51  13.703   9.431   0.472
  358    HA   GLN  51           HA       GLN  51  15.840   7.753  -0.759
  359   1HB   GLN  51           HB2      GLN  51  13.080   6.923   0.189
  360   2HB   GLN  51           HB1      GLN  51  14.367   5.849  -0.356
  361   1HG   GLN  51           HG2      GLN  51  15.128   7.715   1.806
  362   2HG   GLN  51           HG1      GLN  51  13.937   6.494   2.256
  363   1HE2  GLN  51          HE22      GLN  51  16.210   3.742   1.660
  364   2HE2  GLN  51          HE21      GLN  51  14.569   4.158   1.541
  365    H    ASN  52           HN       ASN  52  13.351   6.227  -1.914
  366    HA   ASN  52           HA       ASN  52  13.374   7.717  -4.440
  367   1HB   ASN  52           HB2      ASN  52  13.496   5.044  -3.866
  368   2HB   ASN  52           HB1      ASN  52  11.808   5.244  -4.341
  369   1HD2  ASN  52          HD22      ASN  52  13.128   4.827  -7.638
  370   2HD2  ASN  52          HD21      ASN  52  12.339   4.030  -6.364
  371    HA   PRO  53           HA       PRO  53   8.711   7.649  -3.361
  372   1HB   PRO  53           HB2      PRO  53   8.175   8.339  -0.759
  373   2HB   PRO  53           HB1      PRO  53   8.266   6.670  -1.345
  374   1HG   PRO  53           HG2      PRO  53  10.225   8.191   0.300
  375   2HG   PRO  53           HG1      PRO  53   9.941   6.443   0.220
  376   1HD   PRO  53           HD2      PRO  53  12.046   7.839  -1.034
  377   2HD   PRO  53           HD1      PRO  53  11.558   6.165  -1.381
  378    H    THR  54           HN       THR  54   9.526   9.578  -4.627
  379    HA   THR  54           HA       THR  54   9.962  12.122  -3.325
  380    HB   THR  54           HB       THR  54   9.042  11.569  -6.160
  381    HG1  THR  54           HG1      THR  54  11.700  12.070  -5.536
  382   1HG2  THR  54          HG22      THR  54  10.204  13.936  -4.730
  383   2HG2  THR  54          HG21      THR  54  10.501  13.718  -6.455
  384   3HG2  THR  54          HG23      THR  54   8.850  13.870  -5.858
  385    H    LYS  55           HN       LYS  55   8.402  14.019  -3.889
  386    HA   LYS  55           HA       LYS  55   5.844  13.486  -2.728
  387   1HB   LYS  55           HB2      LYS  55   6.938  15.731  -2.738
  388   2HB   LYS  55           HB1      LYS  55   6.656  15.827  -4.477
  389   1HG   LYS  55           HG2      LYS  55   4.242  15.119  -2.979
  390   2HG   LYS  55           HG1      LYS  55   4.897  16.691  -2.518
  391   1HD   LYS  55           HD2      LYS  55   4.166  17.611  -4.436
  392   2HD   LYS  55           HD1      LYS  55   5.018  16.391  -5.384
  393   1HE   LYS  55           HE2      LYS  55   3.115  15.251  -5.792
  394   2HE   LYS  55           HE1      LYS  55   2.649  15.291  -4.091
  395   1HZ   LYS  55           HZ2      LYS  55   2.339  17.865  -4.946
  396   2HZ   LYS  55           HZ1      LYS  55   1.768  16.938  -6.249
  397   3HZ   LYS  55           HZ3      LYS  55   1.095  16.732  -4.706
  398    H    GLU  56           HN       GLU  56   6.997  13.682  -6.046
  399    HA   GLU  56           HA       GLU  56   4.270  13.313  -7.105
  400   1HB   GLU  56           HB2      GLU  56   6.578  14.510  -8.104
  401   2HB   GLU  56           HB1      GLU  56   6.460  13.002  -9.015
  402   1HG   GLU  56           HG2      GLU  56   3.893  13.728  -9.142
  403   2HG   GLU  56           HG1      GLU  56   4.602  15.332  -8.958
  404    H    GLU  57           HN       GLU  57   7.108  11.479  -6.335
  405    HA   GLU  57           HA       GLU  57   6.688   9.200  -7.984
  406   1HB   GLU  57           HB2      GLU  57   8.737   9.652  -6.584
  407   2HB   GLU  57           HB1      GLU  57   7.796   9.182  -5.166
  408   1HG   GLU  57           HG2      GLU  57   8.701   7.127  -5.680
  409   2HG   GLU  57           HG1      GLU  57   7.266   7.055  -6.703
  410    H    LEU  58           HN       LEU  58   5.394  10.064  -4.792
  411    HA   LEU  58           HA       LEU  58   3.991   7.573  -4.389
  412   1HB   LEU  58           HB2      LEU  58   3.931  10.300  -3.150
  413   2HB   LEU  58           HB1      LEU  58   2.596   9.195  -2.819
  414    HG   LEU  58           HG       LEU  58   4.317   8.916  -1.108
  415   1HD1  LEU  58          HD12      LEU  58   3.078   6.914  -2.233
  416   2HD1  LEU  58          HD11      LEU  58   4.650   6.553  -2.946
  417   3HD1  LEU  58          HD13      LEU  58   4.461   6.571  -1.193
  418   1HD2  LEU  58          HD23      LEU  58   6.127   8.441  -3.497
  419   2HD2  LEU  58          HD22      LEU  58   6.266   9.724  -2.295
  420   3HD2  LEU  58          HD21      LEU  58   6.580   8.051  -1.838
  421    H    ASP  59           HN       ASP  59   3.397  10.340  -6.345
  422    HA   ASP  59           HA       ASP  59   0.513  10.136  -6.446
  423   1HB   ASP  59           HB2      ASP  59   1.480  12.209  -7.154
  424   2HB   ASP  59           HB1      ASP  59   2.560  11.395  -8.286
  425    H    ALA  60           HN       ALA  60   3.115   8.363  -7.864
  426    HA   ALA  60           HA       ALA  60   1.670   7.353 -10.168
  427   1HB   ALA  60           HB2      ALA  60   4.202   7.365  -9.852
  428   2HB   ALA  60           HB1      ALA  60   3.981   6.006  -8.750
  429   3HB   ALA  60           HB3      ALA  60   3.518   5.853 -10.445
  430    H    ILE  61           HN       ILE  61   2.575   5.827  -7.053
  431    HA   ILE  61           HA       ILE  61   0.939   3.497  -7.453
  432    HB   ILE  61           HB       ILE  61   1.423   4.550  -4.692
  433   1HG1  ILE  61          HG12      ILE  61   3.773   3.226  -5.310
  434   2HG1  ILE  61          HG11      ILE  61   3.489   4.219  -6.742
  435   1HG2  ILE  61          HG23      ILE  61   0.442   2.239  -5.504
  436   2HG2  ILE  61          HG22      ILE  61   2.146   1.834  -5.717
  437   3HG2  ILE  61          HG21      ILE  61   1.544   2.308  -4.129
  438   1HD1  ILE  61          HD13      ILE  61   3.053   6.159  -5.156
  439   2HD1  ILE  61          HD12      ILE  61   3.687   5.134  -3.867
  440   3HD1  ILE  61          HD11      ILE  61   4.722   5.593  -5.220
  441    H    ILE  62           HN       ILE  62   0.397   6.551  -5.725
  442    HA   ILE  62           HA       ILE  62  -2.254   5.927  -4.847
  443    HB   ILE  62           HB       ILE  62  -0.779   8.526  -5.288
  444   1HG1  ILE  62          HG12      ILE  62  -0.304   6.792  -3.384
  445   2HG1  ILE  62          HG11      ILE  62  -0.442   8.495  -2.967
  446   1HG2  ILE  62          HG23      ILE  62  -3.620   8.052  -4.372
  447   2HG2  ILE  62          HG22      ILE  62  -2.726   9.506  -3.928
  448   3HG2  ILE  62          HG21      ILE  62  -3.047   9.153  -5.626
  449   1HD1  ILE  62          HD13      ILE  62  -2.924   6.821  -2.941
  450   2HD1  ILE  62          HD12      ILE  62  -1.784   6.658  -1.605
  451   3HD1  ILE  62          HD11      ILE  62  -2.512   8.225  -1.956
  452    H    GLU  63           HN       GLU  63  -0.974   6.722  -7.923
  453    HA   GLU  63           HA       GLU  63  -3.276   8.026  -9.064
  454   1HB   GLU  63           HB2      GLU  63  -0.706   7.058  -9.962
  455   2HB   GLU  63           HB1      GLU  63  -1.965   6.572 -11.098
  456   1HG   GLU  63           HG2      GLU  63  -2.114   9.357 -10.081
  457   2HG   GLU  63           HG1      GLU  63  -0.786   8.995 -11.185
  458    H    GLU  64           HN       GLU  64  -2.286   4.652  -8.732
  459    HA   GLU  64           HA       GLU  64  -4.597   3.688 -10.274
  460   1HB   GLU  64           HB2      GLU  64  -3.722   1.470  -9.822
  461   2HB   GLU  64           HB1      GLU  64  -2.375   2.516 -10.276
  462   1HG   GLU  64           HG2      GLU  64  -1.369   2.080  -8.313
  463   2HG   GLU  64           HG1      GLU  64  -2.757   2.746  -7.452
  464    H    VAL  65           HN       VAL  65  -5.226   5.271  -7.891
  465    HA   VAL  65           HA       VAL  65  -7.152   3.467  -6.697
  466    HB   VAL  65           HB       VAL  65  -6.064   4.206  -4.317
  467   1HG1  VAL  65          HG13      VAL  65  -6.763   1.913  -5.297
  468   2HG1  VAL  65          HG12      VAL  65  -5.064   1.743  -5.740
  469   3HG1  VAL  65          HG11      VAL  65  -5.519   1.927  -4.047
  470   1HG2  VAL  65          HG22      VAL  65  -3.779   3.825  -6.273
  471   2HG2  VAL  65          HG21      VAL  65  -4.044   5.185  -5.185
  472   3HG2  VAL  65          HG23      VAL  65  -3.595   3.611  -4.534
  473    H    ASP  66           HN       ASP  66  -5.391   6.382  -5.581
  474    HA   ASP  66           HA       ASP  66  -7.675   7.750  -4.630
  475   1HB   ASP  66           HB2      ASP  66  -5.445   8.533  -4.071
  476   2HB   ASP  66           HB1      ASP  66  -5.090   8.849  -5.770
  477    H    GLU  67           HN       GLU  67  -9.383   7.544  -6.127
  478    HA   GLU  67           HA       GLU  67  -9.524   7.861  -8.835
  479   1HB   GLU  67           HB2      GLU  67 -11.375   9.236  -6.863
  480   2HB   GLU  67           HB1      GLU  67 -11.753   8.875  -8.548
  481   1HG   GLU  67           HG2      GLU  67 -11.014   6.416  -7.758
  482   2HG   GLU  67           HG1      GLU  67 -11.580   7.041  -6.208
  483    H    ASP  68           HN       ASP  68 -10.352  10.789  -6.984
  484    HA   ASP  68           HA       ASP  68  -8.628  12.325  -8.889
  485   1HB   ASP  68           HB2      ASP  68 -11.445  12.544  -8.344
  486   2HB   ASP  68           HB1      ASP  68 -10.639  14.027  -7.833
  487    H    GLY  69           HN       GLY  69  -9.443  11.666  -5.603
  488   1HA   GLY  69           HA2      GLY  69  -7.209  12.785  -4.424
  489   2HA   GLY  69           HA1      GLY  69  -8.345  14.133  -4.505
  490    H    SER  70           HN       SER  70  -8.550  10.650  -3.666
  491    HA   SER  70           HA       SER  70  -9.326  11.202  -0.938
  492   1HB   SER  70           HB2      SER  70 -11.502  10.287  -2.843
  493   2HB   SER  70           HB1      SER  70 -11.653  10.393  -1.092
  494    HG   SER  70           HG       SER  70 -12.119  12.412  -1.382
  495    H    GLY  71           HN       GLY  71  -9.419   8.938  -3.670
  496   1HA   GLY  71           HA2      GLY  71  -9.581   6.537  -2.128
  497   2HA   GLY  71           HA1      GLY  71  -8.919   6.647  -3.760
  498    H    THR  72           HN       THR  72  -8.161   6.832  -0.357
  499    HA   THR  72           HA       THR  72  -5.294   7.198  -0.877
  500    HB   THR  72           HB       THR  72  -5.473   6.645   1.781
  501    HG1  THR  72           HG1      THR  72  -7.732   6.369   1.626
  502   1HG2  THR  72          HG22      THR  72  -4.852   8.741   0.214
  503   2HG2  THR  72          HG21      THR  72  -6.326   9.354   0.963
  504   3HG2  THR  72          HG23      THR  72  -4.969   8.853   1.971
  505    H    ILE  73           HN       ILE  73  -4.165   5.558   1.069
  506    HA   ILE  73           HA       ILE  73  -4.773   2.895  -0.088
  507    HB   ILE  73           HB       ILE  73  -2.177   3.443   1.290
  508   1HG1  ILE  73          HG12      ILE  73  -2.714   4.190  -1.599
  509   2HG1  ILE  73          HG11      ILE  73  -2.662   5.372  -0.289
  510   1HG2  ILE  73          HG21      ILE  73  -2.965   1.195   0.333
  511   2HG2  ILE  73          HG23      ILE  73  -2.763   1.927  -1.259
  512   3HG2  ILE  73          HG22      ILE  73  -1.375   1.754  -0.186
  513   1HD1  ILE  73          HD12      ILE  73  -0.350   4.035   0.187
  514   2HD1  ILE  73          HD11      ILE  73  -0.450   3.864  -1.565
  515   3HD1  ILE  73          HD13      ILE  73  -0.444   5.469  -0.835
  516    H    ASP  74           HN       ASP  74  -4.874   1.088   1.300
  517    HA   ASP  74           HA       ASP  74  -4.569   1.464   4.205
  518   1HB   ASP  74           HB2      ASP  74  -6.866   2.251   3.833
  519   2HB   ASP  74           HB1      ASP  74  -7.242   0.781   2.934
  520    H    PHE  75           HN       PHE  75  -5.051  -0.744   5.308
  521    HA   PHE  75           HA       PHE  75  -3.459  -2.775   4.412
  522   1HB   PHE  75           HB2      PHE  75  -5.742  -2.618   6.205
  523   2HB   PHE  75           HB1      PHE  75  -5.655  -4.191   5.408
  524    HD1  PHE  75           HD2      PHE  75  -3.055  -1.753   6.567
  525    HD2  PHE  75           HD1      PHE  75  -4.611  -5.749   6.803
  526    HE1  PHE  75           HE2      PHE  75  -1.173  -2.397   8.044
  527    HE2  PHE  75           HE1      PHE  75  -2.727  -6.394   8.283
  528    HZ   PHE  75           HZ       PHE  75  -1.008  -4.719   8.903
  529    H    GLU  76           HN       GLU  76  -6.614  -1.965   3.103
  530    HA   GLU  76           HA       GLU  76  -7.008  -4.409   1.630
  531   1HB   GLU  76           HB2      GLU  76  -8.111  -1.615   1.417
  532   2HB   GLU  76           HB1      GLU  76  -8.471  -2.812   0.172
  533   1HG   GLU  76           HG2      GLU  76  -9.750  -4.103   1.582
  534   2HG   GLU  76           HG1      GLU  76  -8.809  -3.664   3.009
  535    H    GLU  77           HN       GLU  77  -6.401  -1.224   0.133
  536    HA   GLU  77           HA       GLU  77  -5.269  -2.362  -2.239
  537   1HB   GLU  77           HB2      GLU  77  -4.770   0.433  -1.190
  538   2HB   GLU  77           HB1      GLU  77  -4.735  -0.105  -2.869
  539   1HG   GLU  77           HG2      GLU  77  -6.995  -0.003  -3.073
  540   2HG   GLU  77           HG1      GLU  77  -7.261  -0.689  -1.470
  541    H    PHE  78           HN       PHE  78  -3.674  -0.655   0.470
  542    HA   PHE  78           HA       PHE  78  -1.036  -0.711  -0.190
  543   1HB   PHE  78           HB2      PHE  78  -1.864  -0.003   2.023
  544   2HB   PHE  78           HB1      PHE  78  -2.133  -1.689   2.462
  545    HD1  PHE  78           HD2      PHE  78  -0.061  -3.287   2.207
  546    HD2  PHE  78           HD1      PHE  78   0.198   0.990   2.495
  547    HE1  PHE  78           HE2      PHE  78   2.307  -3.478   2.918
  548    HE2  PHE  78           HE1      PHE  78   2.565   0.800   3.206
  549    HZ   PHE  78           HZ       PHE  78   3.620  -1.435   3.418
  550    H    LEU  79           HN       LEU  79  -2.982  -3.577   0.427
  551    HA   LEU  79           HA       LEU  79  -0.652  -5.350   0.515
  552   1HB   LEU  79           HB2      LEU  79  -3.634  -5.744   0.546
  553   2HB   LEU  79           HB1      LEU  79  -2.561  -7.116   0.270
  554    HG   LEU  79           HG       LEU  79  -2.264  -5.225   2.614
  555   1HD1  LEU  79          HD12      LEU  79  -4.438  -6.411   2.713
  556   2HD1  LEU  79          HD11      LEU  79  -3.597  -7.948   2.514
  557   3HD1  LEU  79          HD13      LEU  79  -3.333  -6.980   3.964
  558   1HD2  LEU  79          HD23      LEU  79  -1.019  -7.834   1.755
  559   2HD2  LEU  79          HD22      LEU  79  -0.219  -6.347   2.267
  560   3HD2  LEU  79          HD21      LEU  79  -1.038  -7.361   3.455
  561    H    VAL  80           HN       VAL  80  -3.271  -4.677  -1.843
  562    HA   VAL  80           HA       VAL  80  -2.344  -6.529  -3.809
  563    HB   VAL  80           HB       VAL  80  -3.834  -5.473  -5.323
  564   1HG1  VAL  80          HG11      VAL  80  -4.711  -6.336  -2.968
  565   2HG1  VAL  80          HG13      VAL  80  -5.160  -4.641  -2.772
  566   3HG1  VAL  80          HG12      VAL  80  -5.807  -5.574  -4.120
  567   1HG2  VAL  80          HG21      VAL  80  -2.889  -3.184  -5.096
  568   2HG2  VAL  80          HG23      VAL  80  -4.650  -3.177  -5.032
  569   3HG2  VAL  80          HG22      VAL  80  -3.715  -3.013  -3.549
  570    H    MET  81           HN       MET  81  -1.606  -3.063  -3.356
  571    HA   MET  81           HA       MET  81  -0.055  -2.643  -5.658
  572   1HB   MET  81           HB2      MET  81   1.247  -1.006  -4.197
  573   2HB   MET  81           HB1      MET  81  -0.500  -0.773  -4.232
  574   1HG   MET  81           HG2      MET  81  -0.558  -1.006  -1.997
  575   2HG   MET  81           HG1      MET  81   0.052  -2.652  -2.169
  576   1HE   MET  81           HE3      MET  81   0.996   0.750  -2.952
  577   2HE   MET  81           HE2      MET  81   2.236   1.250  -1.805
  578   3HE   MET  81           HE1      MET  81   2.702   0.426  -3.291
  579    H    MET  82           HN       MET  82   0.649  -4.573  -2.851
  580    HA   MET  82           HA       MET  82   3.519  -4.765  -3.525
  581   1HB   MET  82           HB2      MET  82   1.904  -5.226  -1.187
  582   2HB   MET  82           HB1      MET  82   2.803  -6.695  -1.570
  583   1HG   MET  82           HG2      MET  82   4.407  -4.252  -1.846
  584   2HG   MET  82           HG1      MET  82   3.821  -4.519  -0.204
  585   1HE   MET  82           HE3      MET  82   6.017  -4.987  -2.798
  586   2HE   MET  82           HE2      MET  82   7.262  -6.116  -2.268
  587   3HE   MET  82           HE1      MET  82   5.882  -6.706  -3.193
  588    H    VAL  83           HN       VAL  83   0.560  -6.654  -3.823
  589    HA   VAL  83           HA       VAL  83   1.935  -9.098  -4.604
  590    HB   VAL  83           HB       VAL  83  -0.957  -8.253  -4.947
  591   1HG1  VAL  83          HG11      VAL  83   0.516 -10.844  -5.419
  592   2HG1  VAL  83          HG13      VAL  83  -1.206 -10.831  -5.040
  593   3HG1  VAL  83          HG12      VAL  83  -0.615 -10.014  -6.486
  594   1HG2  VAL  83          HG23      VAL  83   0.639  -9.459  -2.742
  595   2HG2  VAL  83          HG22      VAL  83  -0.797  -8.438  -2.660
  596   3HG2  VAL  83          HG21      VAL  83  -0.955 -10.155  -3.029
  597    H    ARG  84           HN       ARG  84   1.152  -6.176  -6.202
  598    HA   ARG  84           HA       ARG  84   0.651  -7.089  -8.848
  599   1HB   ARG  84           HB2      ARG  84   1.913  -4.576  -7.749
  600   2HB   ARG  84           HB1      ARG  84   1.733  -4.834  -9.485
  601   1HG   ARG  84           HG2      ARG  84  -0.730  -5.310  -9.031
  602   2HG   ARG  84           HG1      ARG  84  -0.455  -4.697  -7.400
  603   1HD   ARG  84           HD2      ARG  84  -0.884  -2.650  -8.264
  604   2HD   ARG  84           HD1      ARG  84   0.715  -2.758  -8.996
  605    HE   ARG  84           HE       ARG  84  -0.809  -4.027 -10.859
  606   1HH1  ARG  84          HH21      ARG  84  -0.647  -0.922  -9.440
  607   2HH1  ARG  84          HH22      ARG  84  -1.800  -0.208 -10.518
  608   1HH2  ARG  84          HH11      ARG  84  -2.552  -3.194 -12.114
  609   2HH2  ARG  84          HH12      ARG  84  -2.877  -1.495 -12.034
  610    H    GLN  85           HN       GLN  85   3.777  -5.815  -7.636
  611    HA   GLN  85           HA       GLN  85   5.163  -7.321  -9.764
  612   1HB   GLN  85           HB2      GLN  85   5.971  -5.089  -9.432
  613   2HB   GLN  85           HB1      GLN  85   6.084  -5.320  -7.688
  614   1HG   GLN  85           HG2      GLN  85   8.111  -6.318  -7.841
  615   2HG   GLN  85           HG1      GLN  85   7.610  -7.308  -9.212
  616   1HE2  GLN  85          HE22      GLN  85   8.496  -4.704 -11.618
  617   2HE2  GLN  85          HE21      GLN  85   7.241  -5.806 -11.318
  618    H    MET  86           HN       MET  86   4.751  -9.479  -8.932
  619    HA   MET  86           HA       MET  86   5.848 -10.164  -6.284
  620   1HB   MET  86           HB2      MET  86   4.211 -11.535  -8.360
  621   2HB   MET  86           HB1      MET  86   5.229 -12.561  -7.348
  622   1HG   MET  86           HG2      MET  86   3.931 -10.584  -5.704
  623   2HG   MET  86           HG1      MET  86   2.721 -11.425  -6.673
  624   1HE   MET  86           HE2      MET  86   3.455 -11.179  -3.589
  625   2HE   MET  86           HE1      MET  86   2.010 -12.147  -3.870
  626   3HE   MET  86           HE3      MET  86   3.316 -12.774  -2.854
  627    H    LYS  87           HN       LYS  87   7.501 -11.885  -6.082
  628    HA   LYS  87           HA       LYS  87   9.685 -11.445  -7.972
  629   1HB   LYS  87           HB2      LYS  87   9.358 -13.082  -5.458
  630   2HB   LYS  87           HB1      LYS  87  10.798 -13.235  -6.464
  631   1HG   LYS  87           HG2      LYS  87  11.283 -10.865  -6.226
  632   2HG   LYS  87           HG1      LYS  87   9.771 -10.608  -5.352
  633   1HD   LYS  87           HD2      LYS  87  11.035 -10.908  -3.489
  634   2HD   LYS  87           HD1      LYS  87  10.922 -12.623  -3.886
  635   1HE   LYS  87           HE2      LYS  87  13.040 -12.638  -4.941
  636   2HE   LYS  87           HE1      LYS  87  13.081 -10.879  -5.070
  637   1HZ   LYS  87           HZ2      LYS  87  12.997 -10.933  -2.533
  638   2HZ   LYS  87           HZ1      LYS  87  13.458 -12.562  -2.675
  639   3HZ   LYS  87           HZ3      LYS  87  14.465 -11.340  -3.284
  640    H    GLU  88           HN       GLU  88   7.030 -13.518  -7.910
  641    HA   GLU  88           HA       GLU  88   8.061 -15.981  -8.833
  642   1HB   GLU  88           HB2      GLU  88   5.619 -15.366  -8.303
  643   2HB   GLU  88           HB1      GLU  88   5.547 -14.716  -9.942
  644   1HG   GLU  88           HG2      GLU  88   5.014 -16.825 -10.573
  645   2HG   GLU  88           HG1      GLU  88   6.722 -17.185 -10.328
  646    H    ASP  89           HN       ASP  89   7.840 -12.887 -10.411
  647    HA   ASP  89           HA       ASP  89   9.620 -13.626 -12.507
  648   1HB   ASP  89           HB2      ASP  89   7.831 -14.945 -13.442
  649   2HB   ASP  89           HB1      ASP  89   6.674 -13.632 -13.219
  650    H    ALA  90           HN       ALA  90   6.924 -11.532 -11.542
  651    HA   ALA  90           HA       ALA  90   7.583  -9.300 -13.193
  652   1HB   ALA  90           HB3      ALA  90   6.041  -9.699 -10.664
  653   2HB   ALA  90           HB2      ALA  90   6.501  -8.053 -11.094
  654   3HB   ALA  90           HB1      ALA  90   5.517  -9.010 -12.200
   
  No H/Q in entry =         654
  Start of MODEL   17
    1   1H    ALA   1           HT1      ALA   1 -15.511  -5.581  -9.078
    2   2H    ALA   1           HT3      ALA   1 -15.381  -6.031 -10.708
    3   3H    ALA   1           HT2      ALA   1 -16.178  -7.051  -9.607
    4    HA   ALA   1           HA       ALA   1 -14.304  -8.014  -8.944
    5   1HB   ALA   1           HB1      ALA   1 -13.820  -6.774 -11.544
    6   2HB   ALA   1           HB3      ALA   1 -12.326  -7.021 -10.640
    7   3HB   ALA   1           HB2      ALA   1 -13.389  -8.388 -10.977
    8    H    SER   2           HN       SER   2 -14.327  -6.655  -6.926
    9    HA   SER   2           HA       SER   2 -12.068  -4.697  -6.892
   10   1HB   SER   2           HB2      SER   2 -13.152  -3.954  -4.705
   11   2HB   SER   2           HB1      SER   2 -14.068  -3.609  -6.168
   12    HG   SER   2           HG       SER   2 -15.413  -4.557  -4.629
   13    H    MET   3           HN       MET   3 -13.648  -6.852  -4.499
   14    HA   MET   3           HA       MET   3 -10.950  -7.481  -3.428
   15   1HB   MET   3           HB2      MET   3 -13.734  -8.022  -2.356
   16   2HB   MET   3           HB1      MET   3 -12.250  -8.535  -1.555
   17   1HG   MET   3           HG2      MET   3 -11.937  -5.787  -2.212
   18   2HG   MET   3           HG1      MET   3 -13.524  -5.965  -1.464
   19   1HE   MET   3           HE3      MET   3 -11.113  -4.342  -0.565
   20   2HE   MET   3           HE2      MET   3 -10.212  -4.917   0.834
   21   3HE   MET   3           HE1      MET   3  -9.785  -5.491  -0.775
   22    H    THR   4           HN       THR   4 -11.934  -8.576  -5.987
   23    HA   THR   4           HA       THR   4 -12.474 -11.412  -5.382
   24    HB   THR   4           HB       THR   4 -13.607 -10.106  -7.252
   25    HG1  THR   4           HG1      THR   4 -12.973 -11.916  -8.817
   26   1HG2  THR   4          HG21      THR   4 -10.895  -9.561  -7.890
   27   2HG2  THR   4          HG23      THR   4 -11.549 -10.541  -9.202
   28   3HG2  THR   4          HG22      THR   4 -12.336  -9.027  -8.753
   29    H    ASP   5           HN       ASP   5 -10.905 -12.002  -7.991
   30    HA   ASP   5           HA       ASP   5  -8.618 -13.158  -6.928
   31   1HB   ASP   5           HB2      ASP   5  -9.335 -13.563  -9.223
   32   2HB   ASP   5           HB1      ASP   5  -8.972 -11.892  -9.658
   33    H    GLN   6           HN       GLN   6  -9.047  -9.805  -8.001
   34    HA   GLN   6           HA       GLN   6  -6.397  -8.912  -7.981
   35   1HB   GLN   6           HB2      GLN   6  -8.782  -7.403  -6.867
   36   2HB   GLN   6           HB1      GLN   6  -7.279  -6.695  -7.462
   37   1HG   GLN   6           HG2      GLN   6  -8.681  -8.527  -9.330
   38   2HG   GLN   6           HG1      GLN   6  -9.481  -6.988  -9.011
   39   1HE2  GLN   6          HE22      GLN   6  -5.923  -7.030 -11.046
   40   2HE2  GLN   6          HE21      GLN   6  -6.444  -8.422 -10.228
   41    H    GLN   7           HN       GLN   7  -8.619  -8.734  -5.163
   42    HA   GLN   7           HA       GLN   7  -6.269  -8.434  -3.399
   43   1HB   GLN   7           HB2      GLN   7  -9.226  -8.103  -3.101
   44   2HB   GLN   7           HB1      GLN   7  -8.276  -8.440  -1.654
   45   1HG   GLN   7           HG2      GLN   7  -7.969  -6.182  -1.625
   46   2HG   GLN   7           HG1      GLN   7  -6.733  -6.530  -2.834
   47   1HE2  GLN   7          HE22      GLN   7  -8.842  -5.452  -5.589
   48   2HE2  GLN   7          HE21      GLN   7  -7.694  -6.641  -5.205
   49    H    ALA   8           HN       ALA   8  -7.526 -11.011  -4.843
   50    HA   ALA   8           HA       ALA   8  -7.870 -12.781  -2.529
   51   1HB   ALA   8           HB2      ALA   8  -9.091 -13.082  -4.726
   52   2HB   ALA   8           HB1      ALA   8  -7.549 -13.551  -5.443
   53   3HB   ALA   8           HB3      ALA   8  -8.254 -14.526  -4.153
   54    H    GLU   9           HN       GLU   9  -5.502 -12.525  -5.210
   55    HA   GLU   9           HA       GLU   9  -3.698 -14.472  -4.156
   56   1HB   GLU   9           HB2      GLU   9  -2.000 -13.337  -5.623
   57   2HB   GLU   9           HB1      GLU   9  -3.493 -13.756  -6.463
   58   1HG   GLU   9           HG2      GLU   9  -4.095 -11.573  -6.759
   59   2HG   GLU   9           HG1      GLU   9  -3.456 -11.080  -5.190
   60    H    ALA  10           HN       ALA  10  -4.266 -11.132  -3.333
   61    HA   ALA  10           HA       ALA  10  -1.732 -10.756  -1.940
   62   1HB   ALA  10           HB3      ALA  10  -4.347  -9.226  -1.754
   63   2HB   ALA  10           HB2      ALA  10  -2.815  -8.709  -1.048
   64   3HB   ALA  10           HB1      ALA  10  -2.985  -8.823  -2.799
   65    H    ARG  11           HN       ARG  11  -5.113 -11.089  -0.766
   66    HA   ARG  11           HA       ARG  11  -4.264 -11.525   1.961
   67   1HB   ARG  11           HB2      ARG  11  -6.679 -10.999   0.719
   68   2HB   ARG  11           HB1      ARG  11  -6.867 -12.677   1.232
   69   1HG   ARG  11           HG2      ARG  11  -6.740 -12.154   3.473
   70   2HG   ARG  11           HG1      ARG  11  -5.674 -10.777   3.198
   71   1HD   ARG  11           HD2      ARG  11  -8.391 -10.527   2.042
   72   2HD   ARG  11           HD1      ARG  11  -8.314 -10.530   3.805
   73    HE   ARG  11           HE       ARG  11  -6.362  -8.728   3.154
   74   1HH1  ARG  11          HH21      ARG  11  -9.729  -9.114   2.605
   75   2HH1  ARG  11          HH22      ARG  11  -9.976  -7.476   2.099
   76   1HH2  ARG  11          HH11      ARG  11  -6.620  -6.630   2.295
   77   2HH2  ARG  11          HH12      ARG  11  -8.216  -6.069   1.924
   78    H    ALA  12           HN       ALA  12  -4.005 -13.475  -0.746
   79    HA   ALA  12           HA       ALA  12  -4.532 -16.033   0.597
   80   1HB   ALA  12           HB2      ALA  12  -3.499 -15.236  -2.124
   81   2HB   ALA  12           HB1      ALA  12  -3.436 -16.912  -1.580
   82   3HB   ALA  12           HB3      ALA  12  -4.990 -16.089  -1.722
   83    H    PHE  13           HN       PHE  13  -1.600 -15.025  -1.178
   84    HA   PHE  13           HA       PHE  13   0.145 -16.699   0.320
   85   1HB   PHE  13           HB2      PHE  13   1.125 -14.100  -0.822
   86   2HB   PHE  13           HB1      PHE  13   1.901 -15.681  -0.833
   87    HD1  PHE  13           HD1      PHE  13  -0.559 -17.279  -1.728
   88    HD2  PHE  13           HD2      PHE  13   1.215 -13.646  -3.180
   89    HE1  PHE  13           HE1      PHE  13  -1.494 -17.722  -3.982
   90    HE2  PHE  13           HE2      PHE  13   0.280 -14.089  -5.432
   91    HZ   PHE  13           HZ       PHE  13  -1.075 -16.127  -5.834
   92    H    LEU  14           HN       LEU  14  -1.365 -13.737   1.154
   93    HA   LEU  14           HA       LEU  14   0.642 -13.011   3.185
   94   1HB   LEU  14           HB2      LEU  14  -2.028 -11.861   2.358
   95   2HB   LEU  14           HB1      LEU  14  -1.172 -11.284   3.782
   96    HG   LEU  14           HG       LEU  14   0.606 -10.420   2.526
   97   1HD1  LEU  14          HD13      LEU  14  -0.312 -12.277   0.324
   98   2HD1  LEU  14          HD12      LEU  14   0.868 -10.997   0.056
   99   3HD1  LEU  14          HD11      LEU  14   1.225 -12.301   1.188
  100   1HD2  LEU  14          HD22      LEU  14  -1.999  -9.718   1.821
  101   2HD2  LEU  14          HD21      LEU  14  -0.541  -8.783   1.485
  102   3HD2  LEU  14          HD23      LEU  14  -1.169  -9.903   0.276
  103    H    SER  15           HN       SER  15   0.457 -15.096   4.359
  104    HA   SER  15           HA       SER  15  -1.881 -16.144   5.506
  105   1HB   SER  15           HB2      SER  15  -0.480 -17.323   6.985
  106   2HB   SER  15           HB1      SER  15   0.579 -16.996   5.616
  107    HG   SER  15           HG       SER  15   1.536 -16.452   7.634
  108    H    GLU  16           HN       GLU  16  -2.214 -16.044   8.056
  109    HA   GLU  16           HA       GLU  16  -3.126 -13.386   8.654
  110   1HB   GLU  16           HB2      GLU  16  -3.958 -15.665   9.589
  111   2HB   GLU  16           HB1      GLU  16  -2.645 -15.496  10.753
  112   1HG   GLU  16           HG2      GLU  16  -3.941 -12.982  10.651
  113   2HG   GLU  16           HG1      GLU  16  -5.218 -14.195  10.744
  114    H    GLU  17           HN       GLU  17  -0.057 -14.858   8.919
  115    HA   GLU  17           HA       GLU  17   0.849 -13.094  11.107
  116   1HB   GLU  17           HB2      GLU  17   1.759 -15.351  11.053
  117   2HB   GLU  17           HB1      GLU  17   2.314 -15.123   9.394
  118   1HG   GLU  17           HG2      GLU  17   3.235 -13.100  11.363
  119   2HG   GLU  17           HG1      GLU  17   3.907 -14.721  11.546
  120    H    MET  18           HN       MET  18   0.875 -13.234   7.622
  121    HA   MET  18           HA       MET  18   3.012 -11.298   7.264
  122   1HB   MET  18           HB2      MET  18   1.386 -12.956   5.596
  123   2HB   MET  18           HB1      MET  18   1.226 -11.294   5.030
  124   1HG   MET  18           HG2      MET  18   3.369 -11.218   4.293
  125   2HG   MET  18           HG1      MET  18   3.984 -12.041   5.727
  126   1HE   MET  18           HE1      MET  18   5.598 -12.774   3.737
  127   2HE   MET  18           HE3      MET  18   5.499 -13.968   5.039
  128   3HE   MET  18           HE2      MET  18   5.491 -14.490   3.357
  129    H    ILE  19           HN       ILE  19  -0.556 -11.116   7.030
  130    HA   ILE  19           HA       ILE  19  -0.674  -8.309   6.530
  131    HB   ILE  19           HB       ILE  19  -2.729  -9.953   8.029
  132   1HG1  ILE  19          HG12      ILE  19  -3.150  -9.576   5.162
  133   2HG1  ILE  19          HG11      ILE  19  -1.689 -10.505   5.504
  134   1HG2  ILE  19          HG23      ILE  19  -2.901  -7.469   6.299
  135   2HG2  ILE  19          HG22      ILE  19  -4.294  -8.344   6.936
  136   3HG2  ILE  19          HG21      ILE  19  -3.168  -7.554   8.040
  137   1HD1  ILE  19          HD11      ILE  19  -3.863 -11.338   7.233
  138   2HD1  ILE  19          HD13      ILE  19  -4.330 -11.462   5.537
  139   3HD1  ILE  19          HD12      ILE  19  -2.895 -12.305   6.120
  140    H    ALA  20           HN       ALA  20  -0.936 -10.126   9.586
  141    HA   ALA  20           HA       ALA  20  -1.304  -7.939  11.322
  142   1HB   ALA  20           HB3      ALA  20  -1.030 -10.622  11.660
  143   2HB   ALA  20           HB2      ALA  20   0.526 -10.064  12.278
  144   3HB   ALA  20           HB1      ALA  20  -0.972  -9.463  12.990
  145    H    GLU  21           HN       GLU  21   1.574  -9.011   9.645
  146    HA   GLU  21           HA       GLU  21   3.402  -7.426  11.281
  147   1HB   GLU  21           HB2      GLU  21   4.329  -9.351  10.185
  148   2HB   GLU  21           HB1      GLU  21   3.701  -8.835   8.619
  149   1HG   GLU  21           HG2      GLU  21   5.333  -7.234   8.334
  150   2HG   GLU  21           HG1      GLU  21   5.500  -6.944  10.066
  151    H    PHE  22           HN       PHE  22   2.393  -7.156   7.849
  152    HA   PHE  22           HA       PHE  22   3.474  -4.632   7.315
  153   1HB   PHE  22           HB2      PHE  22   0.811  -5.713   6.344
  154   2HB   PHE  22           HB1      PHE  22   1.721  -4.401   5.594
  155    HD1  PHE  22           HD2      PHE  22   4.505  -5.631   6.124
  156    HD2  PHE  22           HD1      PHE  22   0.881  -7.234   4.463
  157    HE1  PHE  22           HE2      PHE  22   5.827  -7.286   4.836
  158    HE2  PHE  22           HE1      PHE  22   2.205  -8.889   3.175
  159    HZ   PHE  22           HZ       PHE  22   4.677  -8.915   3.362
  160    H    LYS  23           HN       LYS  23   0.723  -5.440   9.293
  161    HA   LYS  23           HA       LYS  23  -0.686  -2.992   9.288
  162   1HB   LYS  23           HB2      LYS  23  -0.302  -5.185  11.292
  163   2HB   LYS  23           HB1      LYS  23  -1.090  -3.694  11.810
  164   1HG   LYS  23           HG2      LYS  23  -2.626  -3.937   9.801
  165   2HG   LYS  23           HG1      LYS  23  -1.950  -5.551   9.581
  166   1HD   LYS  23           HD2      LYS  23  -2.705  -6.232  11.783
  167   2HD   LYS  23           HD1      LYS  23  -3.237  -4.591  12.152
  168   1HE   LYS  23           HE2      LYS  23  -4.688  -4.881   9.975
  169   2HE   LYS  23           HE1      LYS  23  -4.460  -6.602  10.289
  170   1HZ   LYS  23           HZ3      LYS  23  -5.490  -4.651  12.275
  171   2HZ   LYS  23           HZ2      LYS  23  -6.468  -5.679  11.341
  172   3HZ   LYS  23           HZ1      LYS  23  -5.380  -6.332  12.471
  173    H    ALA  24           HN       ALA  24   1.971  -3.986  11.481
  174    HA   ALA  24           HA       ALA  24   2.146  -1.308  12.624
  175   1HB   ALA  24           HB3      ALA  24   3.808  -3.816  12.864
  176   2HB   ALA  24           HB2      ALA  24   4.322  -2.299  13.602
  177   3HB   ALA  24           HB1      ALA  24   2.802  -3.047  14.092
  178    H    ALA  25           HN       ALA  25   3.148  -2.611   9.701
  179    HA   ALA  25           HA       ALA  25   5.640  -1.034   9.538
  180   1HB   ALA  25           HB3      ALA  25   4.707  -3.373   8.296
  181   2HB   ALA  25           HB2      ALA  25   4.741  -2.156   7.021
  182   3HB   ALA  25           HB1      ALA  25   6.204  -2.513   7.937
  183    H    PHE  26           HN       PHE  26   2.969  -1.312   7.180
  184    HA   PHE  26           HA       PHE  26   3.383   1.413   6.276
  185   1HB   PHE  26           HB2      PHE  26   2.315  -0.724   5.082
  186   2HB   PHE  26           HB1      PHE  26   0.826   0.010   5.687
  187    HD1  PHE  26           HD2      PHE  26   3.730   0.450   3.468
  188    HD2  PHE  26           HD1      PHE  26   0.107   2.212   4.944
  189    HE1  PHE  26           HE2      PHE  26   3.829   2.155   1.670
  190    HE2  PHE  26           HE1      PHE  26   0.210   3.918   3.157
  191    HZ   PHE  26           HZ       PHE  26   2.067   3.892   1.513
  192    H    ASP  27           HN       ASP  27   1.082  -0.145   8.480
  193    HA   ASP  27           HA       ASP  27  -0.405   2.386   8.783
  194   1HB   ASP  27           HB2      ASP  27  -0.828  -0.441   9.498
  195   2HB   ASP  27           HB1      ASP  27  -1.383   0.703  10.720
  196    H    MET  28           HN       MET  28   2.477   2.055   9.642
  197    HA   MET  28           HA       MET  28   2.497   2.067  12.539
  198   1HB   MET  28           HB2      MET  28   4.501   1.526  11.157
  199   2HB   MET  28           HB1      MET  28   4.543   3.202  10.608
  200   1HG   MET  28           HG2      MET  28   6.103   2.860  12.487
  201   2HG   MET  28           HG1      MET  28   4.804   3.962  12.942
  202   1HE   MET  28           HE3      MET  28   6.823   2.541  14.538
  203   2HE   MET  28           HE2      MET  28   5.689   3.073  15.777
  204   3HE   MET  28           HE1      MET  28   6.215   1.392  15.738
  205    H    PHE  29           HN       PHE  29   2.559   4.611  10.042
  206    HA   PHE  29           HA       PHE  29   2.743   6.825  11.840
  207   1HB   PHE  29           HB2      PHE  29   1.665   6.514   9.037
  208   2HB   PHE  29           HB1      PHE  29   1.584   8.061   9.881
  209    HD1  PHE  29           HD2      PHE  29   4.070   8.121  11.419
  210    HD2  PHE  29           HD1      PHE  29   3.355   6.718   7.421
  211    HE1  PHE  29           HE2      PHE  29   6.441   8.562  10.839
  212    HE2  PHE  29           HE1      PHE  29   5.726   7.162   6.842
  213    HZ   PHE  29           HZ       PHE  29   7.268   8.082   8.551
  214    H    ASP  30           HN       ASP  30  -0.196   6.137   9.945
  215    HA   ASP  30           HA       ASP  30  -1.894   7.352  11.941
  216   1HB   ASP  30           HB2      ASP  30  -2.171   6.274   9.276
  217   2HB   ASP  30           HB1      ASP  30  -3.466   5.663  10.307
  218    H    ALA  31           HN       ALA  31  -1.790   6.302  13.929
  219    HA   ALA  31           HA       ALA  31  -2.503   3.395  13.926
  220   1HB   ALA  31           HB1      ALA  31  -0.301   4.690  15.100
  221   2HB   ALA  31           HB3      ALA  31  -1.401   4.348  16.436
  222   3HB   ALA  31           HB2      ALA  31  -0.836   3.036  15.401
  223    H    ASP  32           HN       ASP  32  -3.062   6.541  15.460
  224    HA   ASP  32           HA       ASP  32  -5.568   5.394  16.623
  225   1HB   ASP  32           HB2      ASP  32  -3.417   6.431  18.054
  226   2HB   ASP  32           HB1      ASP  32  -4.560   7.772  17.992
  227    H    GLY  33           HN       GLY  33  -5.530   6.507  14.061
  228   1HA   GLY  33           HA2      GLY  33  -7.127   8.978  14.534
  229   2HA   GLY  33           HA1      GLY  33  -5.867   8.993  13.299
  230    H    GLY  34           HN       GLY  34  -6.075   7.235  11.597
  231   1HA   GLY  34           HA2      GLY  34  -8.870   6.317  11.192
  232   2HA   GLY  34           HA1      GLY  34  -8.142   7.319   9.937
  233    H    GLY  35           HN       GLY  35  -5.615   6.391   9.689
  234   1HA   GLY  35           HA2      GLY  35  -4.423   4.175   9.592
  235   2HA   GLY  35           HA1      GLY  35  -5.974   3.472   9.128
  236    H    ASP  36           HN       ASP  36  -4.666   6.543   7.954
  237    HA   ASP  36           HA       ASP  36  -4.147   5.291   5.307
  238   1HB   ASP  36           HB2      ASP  36  -5.761   7.835   5.603
  239   2HB   ASP  36           HB1      ASP  36  -5.489   6.897   4.134
  240    H    ILE  37           HN       ILE  37  -2.755   6.635   3.948
  241    HA   ILE  37           HA       ILE  37  -1.288   8.725   5.509
  242    HB   ILE  37           HB       ILE  37  -0.022   6.975   3.394
  243   1HG1  ILE  37          HG12      ILE  37   0.918   5.744   5.472
  244   2HG1  ILE  37          HG11      ILE  37  -0.450   6.445   6.338
  245   1HG2  ILE  37          HG22      ILE  37   0.981   8.735   5.643
  246   2HG2  ILE  37          HG21      ILE  37   2.019   7.585   4.802
  247   3HG2  ILE  37          HG23      ILE  37   1.277   8.916   3.914
  248   1HD1  ILE  37          HD12      ILE  37  -1.099   5.158   3.747
  249   2HD1  ILE  37          HD11      ILE  37  -0.573   4.068   5.029
  250   3HD1  ILE  37          HD13      ILE  37  -1.973   5.111   5.278
  251    H    SER  38           HN       SER  38  -0.863  10.638   4.408
  252    HA   SER  38           HA       SER  38  -2.413  11.195   2.038
  253   1HB   SER  38           HB2      SER  38  -1.600  13.409   2.221
  254   2HB   SER  38           HB1      SER  38  -1.645  12.836   3.887
  255    HG   SER  38           HG       SER  38   0.349  13.847   3.337
  256    H    THR  39           HN       THR  39  -0.796  12.639   0.351
  257    HA   THR  39           HA       THR  39   0.590  10.513  -1.076
  258    HB   THR  39           HB       THR  39   1.157  12.374  -2.682
  259    HG1  THR  39           HG1      THR  39   0.700  14.373  -2.158
  260   1HG2  THR  39          HG22      THR  39  -1.043  11.002  -2.593
  261   2HG2  THR  39          HG21      THR  39  -1.764  12.480  -1.956
  262   3HG2  THR  39          HG23      THR  39  -1.025  12.478  -3.558
  263    H    LYS  40           HN       LYS  40   1.696  13.643   0.289
  264    HA   LYS  40           HA       LYS  40   4.493  12.895  -0.005
  265   1HB   LYS  40           HB2      LYS  40   3.648  15.266  -0.033
  266   2HB   LYS  40           HB1      LYS  40   3.315  15.113   1.693
  267   1HG   LYS  40           HG2      LYS  40   5.934  14.176   1.406
  268   2HG   LYS  40           HG1      LYS  40   5.851  15.584   0.347
  269   1HD   LYS  40           HD2      LYS  40   5.427  17.043   2.088
  270   2HD   LYS  40           HD1      LYS  40   4.635  15.809   3.068
  271   1HE   LYS  40           HE2      LYS  40   6.560  15.554   4.205
  272   2HE   LYS  40           HE1      LYS  40   7.295  14.930   2.728
  273   1HZ   LYS  40           HZ2      LYS  40   7.092  17.816   3.393
  274   2HZ   LYS  40           HZ1      LYS  40   8.466  16.865   3.699
  275   3HZ   LYS  40           HZ3      LYS  40   7.951  17.120   2.103
  276    H    GLU  41           HN       GLU  41   2.064  12.247   2.322
  277    HA   GLU  41           HA       GLU  41   3.845  11.983   4.613
  278   1HB   GLU  41           HB2      GLU  41   0.986  11.273   4.031
  279   2HB   GLU  41           HB1      GLU  41   1.778  10.582   5.448
  280   1HG   GLU  41           HG2      GLU  41   2.360  13.413   5.238
  281   2HG   GLU  41           HG1      GLU  41   0.618  13.138   5.248
  282    H    LEU  42           HN       LEU  42   2.494   9.803   2.164
  283    HA   LEU  42           HA       LEU  42   3.700   7.443   3.400
  284   1HB   LEU  42           HB2      LEU  42   2.747   6.212   1.608
  285   2HB   LEU  42           HB1      LEU  42   1.585   7.501   1.921
  286    HG   LEU  42           HG       LEU  42   3.127   8.773   0.126
  287   1HD1  LEU  42          HD12      LEU  42   4.382   6.397   0.067
  288   2HD1  LEU  42          HD11      LEU  42   3.121   6.063  -1.119
  289   3HD1  LEU  42          HD13      LEU  42   4.230   7.411  -1.368
  290   1HD2  LEU  42          HD23      LEU  42   0.605   7.472   0.155
  291   2HD2  LEU  42          HD22      LEU  42   1.146   8.737  -0.946
  292   3HD2  LEU  42          HD21      LEU  42   1.377   7.042  -1.370
  293    H    GLY  43           HN       GLY  43   4.541   9.771   0.905
  294   1HA   GLY  43           HA2      GLY  43   6.686   8.285  -0.286
  295   2HA   GLY  43           HA1      GLY  43   6.510  10.040  -0.344
  296    H    THR  44           HN       THR  44   6.373   9.798   2.778
  297    HA   THR  44           HA       THR  44   9.147  10.468   3.219
  298    HB   THR  44           HB       THR  44   7.740   9.662   5.637
  299    HG1  THR  44           HG1      THR  44   6.477  11.494   3.880
  300   1HG2  THR  44          HG21      THR  44   9.524  11.631   4.751
  301   2HG2  THR  44          HG23      THR  44   8.058  12.513   5.182
  302   3HG2  THR  44          HG22      THR  44   8.848  11.479   6.373
  303    H    VAL  45           HN       VAL  45   7.257   7.527   3.494
  304    HA   VAL  45           HA       VAL  45   9.258   6.057   4.997
  305    HB   VAL  45           HB       VAL  45   6.726   5.538   4.761
  306   1HG1  VAL  45          HG13      VAL  45   7.098   5.530   2.145
  307   2HG1  VAL  45          HG12      VAL  45   7.576   3.856   2.426
  308   3HG1  VAL  45          HG11      VAL  45   5.961   4.402   2.880
  309   1HG2  VAL  45          HG23      VAL  45   9.049   3.681   4.799
  310   2HG2  VAL  45          HG22      VAL  45   7.759   3.895   5.983
  311   3HG2  VAL  45          HG21      VAL  45   7.470   2.945   4.527
  312    H    MET  46           HN       MET  46   8.522   6.597   1.596
  313    HA   MET  46           HA       MET  46  10.477   4.636   0.655
  314   1HB   MET  46           HB2      MET  46   8.457   6.379  -0.517
  315   2HB   MET  46           HB1      MET  46   9.969   6.447  -1.423
  316   1HG   MET  46           HG2      MET  46   9.840   4.250  -2.070
  317   2HG   MET  46           HG1      MET  46   9.048   3.748  -0.577
  318   1HE   MET  46           HE3      MET  46   6.810   3.928   0.031
  319   2HE   MET  46           HE2      MET  46   6.493   5.635  -0.273
  320   3HE   MET  46           HE1      MET  46   5.419   4.411  -0.948
  321    H    ARG  47           HN       ARG  47  10.440   7.974   1.595
  322    HA   ARG  47           HA       ARG  47  12.790   8.851   0.205
  323   1HB   ARG  47           HB2      ARG  47  11.217  10.424   1.279
  324   2HB   ARG  47           HB1      ARG  47  11.656   9.785   2.863
  325   1HG   ARG  47           HG2      ARG  47  14.062  10.462   1.464
  326   2HG   ARG  47           HG1      ARG  47  12.964  11.840   1.384
  327   1HD   ARG  47           HD2      ARG  47  13.489  12.345   3.511
  328   2HD   ARG  47           HD1      ARG  47  12.787  10.809   4.021
  329    HE   ARG  47           HE       ARG  47  15.049   9.801   3.738
  330   1HH1  ARG  47          HH11      ARG  47  16.763  11.351   2.234
  331   2HH1  ARG  47          HH12      ARG  47  17.518  12.468   3.323
  332   1HH2  ARG  47          HH21      ARG  47  15.143  12.050   5.816
  333   2HH2  ARG  47          HH22      ARG  47  16.600  12.863   5.350
  334    H    MET  48           HN       MET  48  12.264   6.988   3.121
  335    HA   MET  48           HA       MET  48  14.771   7.273   4.392
  336   1HB   MET  48           HB2      MET  48  13.016   4.810   4.145
  337   2HB   MET  48           HB1      MET  48  14.366   4.965   5.270
  338   1HG   MET  48           HG2      MET  48  13.279   6.577   6.562
  339   2HG   MET  48           HG1      MET  48  12.220   7.066   5.240
  340   1HE   MET  48           HE2      MET  48  11.301   6.894   7.881
  341   2HE   MET  48           HE1      MET  48  10.207   5.587   8.323
  342   3HE   MET  48           HE3      MET  48  11.942   5.435   8.632
  343    H    LEU  49           HN       LEU  49  14.124   4.196   2.776
  344    HA   LEU  49           HA       LEU  49  16.913   4.174   1.809
  345   1HB   LEU  49           HB2      LEU  49  16.402   1.818   1.190
  346   2HB   LEU  49           HB1      LEU  49  16.044   2.147   2.886
  347    HG   LEU  49           HG       LEU  49  13.780   2.723   1.121
  348   1HD1  LEU  49          HD13      LEU  49  14.896  -0.092   1.273
  349   2HD1  LEU  49          HD12      LEU  49  13.253   0.291   0.760
  350   3HD1  LEU  49          HD11      LEU  49  14.629   0.862  -0.185
  351   1HD2  LEU  49          HD23      LEU  49  14.243   2.115   3.784
  352   2HD2  LEU  49          HD22      LEU  49  12.659   2.144   3.007
  353   3HD2  LEU  49          HD21      LEU  49  13.540   0.623   3.159
  354    H    GLY  50           HN       GLY  50  16.111   6.062   0.318
  355   1HA   GLY  50           HA2      GLY  50  15.929   5.022  -2.363
  356   2HA   GLY  50           HA1      GLY  50  14.374   5.685  -1.855
  357    H    GLN  51           HN       GLN  51  14.090   7.802  -2.324
  358    HA   GLN  51           HA       GLN  51  16.403   9.667  -2.150
  359   1HB   GLN  51           HB2      GLN  51  14.748  10.298  -4.448
  360   2HB   GLN  51           HB1      GLN  51  16.497  10.102  -4.372
  361   1HG   GLN  51           HG2      GLN  51  16.016   7.560  -4.352
  362   2HG   GLN  51           HG1      GLN  51  14.392   8.000  -4.881
  363   1HE2  GLN  51          HE22      GLN  51  15.651   7.908  -8.187
  364   2HE2  GLN  51          HE21      GLN  51  14.572   7.233  -7.063
  365    H    ASN  52           HN       ASN  52  15.625  11.914  -1.794
  366    HA   ASN  52           HA       ASN  52  13.066  11.976  -0.477
  367   1HB   ASN  52           HB2      ASN  52  14.499  14.350  -1.704
  368   2HB   ASN  52           HB1      ASN  52  13.357  14.370  -0.360
  369   1HD2  ASN  52          HD22      ASN  52  17.258  13.340   0.311
  370   2HD2  ASN  52          HD21      ASN  52  16.682  13.511  -1.276
  371    HA   PRO  53           HA       PRO  53  10.902  12.329  -4.377
  372   1HB   PRO  53           HB2      PRO  53   8.450  11.704  -3.330
  373   2HB   PRO  53           HB1      PRO  53   9.708  10.495  -3.641
  374   1HG   PRO  53           HG2      PRO  53   8.732  11.503  -1.045
  375   2HG   PRO  53           HG1      PRO  53   9.681  10.050  -1.397
  376   1HD   PRO  53           HD2      PRO  53  10.629  12.614  -0.398
  377   2HD   PRO  53           HD1      PRO  53  11.544  11.110  -0.650
  378    H    THR  54           HN       THR  54   8.458  13.358  -4.752
  379    HA   THR  54           HA       THR  54   8.514  16.058  -3.446
  380    HB   THR  54           HB       THR  54   8.180  17.066  -5.460
  381    HG1  THR  54           HG1      THR  54   6.609  16.452  -6.814
  382   1HG2  THR  54          HG21      THR  54   9.919  15.109  -5.752
  383   2HG2  THR  54          HG23      THR  54   8.692  14.497  -6.861
  384   3HG2  THR  54          HG22      THR  54   9.406  16.089  -7.128
  385    H    LYS  55           HN       LYS  55   6.051  16.854  -4.522
  386    HA   LYS  55           HA       LYS  55   4.333  15.341  -2.718
  387   1HB   LYS  55           HB2      LYS  55   2.921  17.206  -2.730
  388   2HB   LYS  55           HB1      LYS  55   4.528  17.908  -2.886
  389   1HG   LYS  55           HG2      LYS  55   4.250  18.198  -5.262
  390   2HG   LYS  55           HG1      LYS  55   2.737  17.290  -5.248
  391   1HD   LYS  55           HD2      LYS  55   3.070  19.772  -3.572
  392   2HD   LYS  55           HD1      LYS  55   2.583  19.877  -5.264
  393   1HE   LYS  55           HE2      LYS  55   0.840  18.017  -4.538
  394   2HE   LYS  55           HE1      LYS  55   1.107  18.703  -2.936
  395   1HZ   LYS  55           HZ1      LYS  55   0.766  20.932  -4.210
  396   2HZ   LYS  55           HZ3      LYS  55  -0.054  19.951  -5.325
  397   3HZ   LYS  55           HZ2      LYS  55  -0.576  20.018  -3.710
  398    H    GLU  56           HN       GLU  56   4.603  16.106  -6.145
  399    HA   GLU  56           HA       GLU  56   2.109  14.728  -6.753
  400   1HB   GLU  56           HB2      GLU  56   2.771  15.128  -9.128
  401   2HB   GLU  56           HB1      GLU  56   2.802  16.603  -8.161
  402   1HG   GLU  56           HG2      GLU  56   5.355  15.362  -7.905
  403   2HG   GLU  56           HG1      GLU  56   4.951  15.397  -9.623
  404    H    GLU  57           HN       GLU  57   5.431  13.871  -6.389
  405    HA   GLU  57           HA       GLU  57   5.589  11.617  -8.125
  406   1HB   GLU  57           HB2      GLU  57   7.555  12.585  -6.985
  407   2HB   GLU  57           HB1      GLU  57   6.925  12.030  -5.433
  408   1HG   GLU  57           HG2      GLU  57   7.569   9.884  -5.801
  409   2HG   GLU  57           HG1      GLU  57   7.067   9.929  -7.492
  410    H    LEU  58           HN       LEU  58   4.341  11.942  -4.818
  411    HA   LEU  58           HA       LEU  58   3.741   9.060  -4.686
  412   1HB   LEU  58           HB2      LEU  58   3.071  11.314  -2.768
  413   2HB   LEU  58           HB1      LEU  58   2.840   9.596  -2.447
  414    HG   LEU  58           HG       LEU  58   4.917  10.162  -1.421
  415   1HD1  LEU  58          HD13      LEU  58   4.846   8.122  -2.986
  416   2HD1  LEU  58          HD12      LEU  58   5.764   9.109  -4.124
  417   3HD1  LEU  58          HD11      LEU  58   6.442   8.725  -2.542
  418   1HD2  LEU  58          HD23      LEU  58   5.005  12.280  -3.072
  419   2HD2  LEU  58          HD22      LEU  58   6.444  11.678  -2.249
  420   3HD2  LEU  58          HD21      LEU  58   6.137  11.231  -3.926
  421    H    ASP  59           HN       ASP  59   2.197  11.976  -5.681
  422    HA   ASP  59           HA       ASP  59  -0.533  11.093  -5.230
  423   1HB   ASP  59           HB2      ASP  59   0.457  13.512  -5.672
  424   2HB   ASP  59           HB1      ASP  59   0.163  13.084  -7.358
  425    H    ALA  60           HN       ALA  60   1.812  10.769  -7.831
  426    HA   ALA  60           HA       ALA  60  -0.116   9.845  -9.801
  427   1HB   ALA  60           HB1      ALA  60   2.589  10.595  -9.816
  428   2HB   ALA  60           HB3      ALA  60   2.591   8.883 -10.238
  429   3HB   ALA  60           HB2      ALA  60   1.649  10.025 -11.196
  430    H    ILE  61           HN       ILE  61   2.457   8.136  -7.996
  431    HA   ILE  61           HA       ILE  61   1.646   5.515  -8.730
  432    HB   ILE  61           HB       ILE  61   2.578   5.140  -6.163
  433   1HG1  ILE  61          HG12      ILE  61   4.140   7.480  -7.274
  434   2HG1  ILE  61          HG11      ILE  61   2.872   7.685  -6.065
  435   1HG2  ILE  61          HG22      ILE  61   3.324   4.451  -8.646
  436   2HG2  ILE  61          HG21      ILE  61   4.606   5.607  -8.281
  437   3HG2  ILE  61          HG23      ILE  61   4.361   4.204  -7.241
  438   1HD1  ILE  61          HD11      ILE  61   4.070   6.037  -4.606
  439   2HD1  ILE  61          HD13      ILE  61   5.379   6.003  -5.786
  440   3HD1  ILE  61          HD12      ILE  61   5.010   7.495  -4.922
  441    H    ILE  62           HN       ILE  62   0.779   7.392  -5.814
  442    HA   ILE  62           HA       ILE  62  -1.056   5.381  -4.874
  443    HB   ILE  62           HB       ILE  62   0.096   7.343  -3.576
  444   1HG1  ILE  62          HG12      ILE  62  -2.735   6.357  -3.199
  445   2HG1  ILE  62          HG11      ILE  62  -1.268   5.792  -2.402
  446   1HG2  ILE  62          HG23      ILE  62  -1.460   8.877  -5.255
  447   2HG2  ILE  62          HG22      ILE  62  -2.443   8.821  -3.792
  448   3HG2  ILE  62          HG21      ILE  62  -0.790   9.431  -3.719
  449   1HD1  ILE  62          HD12      ILE  62  -1.407   8.548  -1.851
  450   2HD1  ILE  62          HD11      ILE  62  -3.045   7.938  -1.628
  451   3HD1  ILE  62          HD13      ILE  62  -1.710   7.225  -0.726
  452    H    GLU  63           HN       GLU  63  -1.250   7.599  -7.401
  453    HA   GLU  63           HA       GLU  63  -3.964   8.429  -7.340
  454   1HB   GLU  63           HB2      GLU  63  -1.892   8.866  -9.037
  455   2HB   GLU  63           HB1      GLU  63  -2.847   7.733  -9.994
  456   1HG   GLU  63           HG2      GLU  63  -4.012  10.199  -8.676
  457   2HG   GLU  63           HG1      GLU  63  -3.457  10.158 -10.351
  458    H    GLU  64           HN       GLU  64  -2.516   5.535  -8.859
  459    HA   GLU  64           HA       GLU  64  -5.040   4.512  -9.804
  460   1HB   GLU  64           HB2      GLU  64  -3.782   2.402 -10.162
  461   2HB   GLU  64           HB1      GLU  64  -2.920   3.802 -10.803
  462   1HG   GLU  64           HG2      GLU  64  -2.144   3.542  -8.087
  463   2HG   GLU  64           HG1      GLU  64  -2.055   1.930  -8.797
  464    H    VAL  65           HN       VAL  65  -3.944   4.826  -6.667
  465    HA   VAL  65           HA       VAL  65  -5.469   2.406  -5.799
  466    HB   VAL  65           HB       VAL  65  -3.640   3.924  -3.966
  467   1HG1  VAL  65          HG13      VAL  65  -5.144   2.067  -3.184
  468   2HG1  VAL  65          HG12      VAL  65  -4.275   0.973  -4.261
  469   3HG1  VAL  65          HG11      VAL  65  -3.432   1.744  -2.918
  470   1HG2  VAL  65          HG21      VAL  65  -2.886   2.382  -6.378
  471   2HG2  VAL  65          HG23      VAL  65  -1.956   3.573  -5.470
  472   3HG2  VAL  65          HG22      VAL  65  -2.049   1.906  -4.900
  473    H    ASP  66           HN       ASP  66  -5.377   5.862  -5.738
  474    HA   ASP  66           HA       ASP  66  -7.334   5.967  -3.507
  475   1HB   ASP  66           HB2      ASP  66  -7.089   8.469  -3.828
  476   2HB   ASP  66           HB1      ASP  66  -5.608   7.638  -3.357
  477    H    GLU  67           HN       GLU  67  -8.722   4.708  -5.248
  478    HA   GLU  67           HA       GLU  67  -9.800   5.873  -7.537
  479   1HB   GLU  67           HB2      GLU  67 -11.936   4.643  -6.934
  480   2HB   GLU  67           HB1      GLU  67 -10.480   3.648  -6.924
  481   1HG   GLU  67           HG2      GLU  67 -10.377   4.357  -4.385
  482   2HG   GLU  67           HG1      GLU  67 -12.101   4.658  -4.610
  483    H    ASP  68           HN       ASP  68 -11.000   6.309  -4.191
  484    HA   ASP  68           HA       ASP  68 -13.116   8.041  -4.616
  485   1HB   ASP  68           HB2      ASP  68 -12.023   7.233  -2.386
  486   2HB   ASP  68           HB1      ASP  68 -11.073   8.714  -2.507
  487    H    GLY  69           HN       GLY  69  -9.792   9.225  -3.997
  488   1HA   GLY  69           HA2      GLY  69  -8.918  10.797  -5.825
  489   2HA   GLY  69           HA1      GLY  69 -10.476  11.610  -5.666
  490    H    SER  70           HN       SER  70  -8.304  10.314  -3.148
  491    HA   SER  70           HA       SER  70  -8.201  13.082  -2.017
  492   1HB   SER  70           HB2      SER  70  -7.647  11.498   0.124
  493   2HB   SER  70           HB1      SER  70  -9.269  12.051  -0.283
  494    HG   SER  70           HG       SER  70  -8.026   9.577  -0.858
  495    H    GLY  71           HN       GLY  71  -6.409  10.332  -3.100
  496   1HA   GLY  71           HA2      GLY  71  -4.085  10.241  -3.562
  497   2HA   GLY  71           HA1      GLY  71  -3.907  11.821  -2.799
  498    H    THR  72           HN       THR  72  -5.470   9.055  -1.264
  499    HA   THR  72           HA       THR  72  -3.080   8.672   0.467
  500    HB   THR  72           HB       THR  72  -4.052   9.529   2.314
  501    HG1  THR  72           HG1      THR  72  -6.415   8.127   1.629
  502   1HG2  THR  72          HG23      THR  72  -6.236  10.228   0.344
  503   2HG2  THR  72          HG22      THR  72  -6.241  10.790   2.017
  504   3HG2  THR  72          HG21      THR  72  -4.936  11.267   0.930
  505    H    ILE  73           HN       ILE  73  -3.500   6.663   1.936
  506    HA   ILE  73           HA       ILE  73  -5.462   4.752   0.911
  507    HB   ILE  73           HB       ILE  73  -3.442   3.114   0.436
  508   1HG1  ILE  73          HG12      ILE  73  -2.058   5.385  -0.775
  509   2HG1  ILE  73          HG11      ILE  73  -2.061   5.470   0.985
  510   1HG2  ILE  73          HG23      ILE  73  -5.234   4.010  -1.150
  511   2HG2  ILE  73          HG22      ILE  73  -4.076   5.265  -1.594
  512   3HG2  ILE  73          HG21      ILE  73  -3.698   3.569  -1.896
  513   1HD1  ILE  73          HD13      ILE  73  -1.450   2.830  -0.264
  514   2HD1  ILE  73          HD12      ILE  73  -0.206   4.078  -0.344
  515   3HD1  ILE  73          HD11      ILE  73  -0.819   3.542   1.221
  516    H    ASP  74           HN       ASP  74  -5.404   2.719   2.148
  517    HA   ASP  74           HA       ASP  74  -4.195   3.141   4.844
  518   1HB   ASP  74           HB2      ASP  74  -5.842   1.151   5.357
  519   2HB   ASP  74           HB1      ASP  74  -6.479   2.786   5.187
  520    H    PHE  75           HN       PHE  75  -4.088   0.560   5.790
  521    HA   PHE  75           HA       PHE  75  -1.782  -0.478   4.341
  522   1HB   PHE  75           HB2      PHE  75  -1.376  -1.762   6.216
  523   2HB   PHE  75           HB1      PHE  75  -2.392  -0.525   6.947
  524    HD1  PHE  75           HD2      PHE  75  -5.006  -1.017   6.835
  525    HD2  PHE  75           HD1      PHE  75  -1.931  -4.002   6.535
  526    HE1  PHE  75           HE2      PHE  75  -6.634  -2.764   7.509
  527    HE2  PHE  75           HE1      PHE  75  -3.559  -5.748   7.206
  528    HZ   PHE  75           HZ       PHE  75  -5.910  -5.129   7.694
  529    H    GLU  76           HN       GLU  76  -5.186  -1.082   4.373
  530    HA   GLU  76           HA       GLU  76  -5.093  -3.776   3.317
  531   1HB   GLU  76           HB2      GLU  76  -7.083  -2.703   4.461
  532   2HB   GLU  76           HB1      GLU  76  -7.325  -1.751   2.997
  533   1HG   GLU  76           HG2      GLU  76  -7.571  -3.801   1.676
  534   2HG   GLU  76           HG1      GLU  76  -7.266  -4.781   3.111
  535    H    GLU  77           HN       GLU  77  -5.811  -0.618   1.774
  536    HA   GLU  77           HA       GLU  77  -5.826  -1.656  -0.896
  537   1HB   GLU  77           HB2      GLU  77  -5.796   1.005   0.384
  538   2HB   GLU  77           HB1      GLU  77  -5.053   0.954  -1.215
  539   1HG   GLU  77           HG2      GLU  77  -7.453   1.428  -1.417
  540   2HG   GLU  77           HG1      GLU  77  -7.086  -0.154  -2.108
  541    H    PHE  78           HN       PHE  78  -3.254  -0.229   1.099
  542    HA   PHE  78           HA       PHE  78  -1.255  -0.321  -0.988
  543   1HB   PHE  78           HB2      PHE  78  -1.084   1.149   1.016
  544   2HB   PHE  78           HB1      PHE  78  -0.874  -0.284   2.021
  545    HD1  PHE  78           HD2      PHE  78   0.558   1.359  -1.031
  546    HD2  PHE  78           HD1      PHE  78   1.280  -1.104   2.413
  547    HE1  PHE  78           HE2      PHE  78   2.983   1.351  -1.546
  548    HE2  PHE  78           HE1      PHE  78   3.706  -1.107   1.903
  549    HZ   PHE  78           HZ       PHE  78   4.558   0.117  -0.081
  550    H    LEU  79           HN       LEU  79  -2.764  -2.746   0.806
  551    HA   LEU  79           HA       LEU  79  -0.479  -4.543   1.050
  552   1HB   LEU  79           HB2      LEU  79  -2.960  -4.452   2.211
  553   2HB   LEU  79           HB1      LEU  79  -3.181  -5.729   1.015
  554    HG   LEU  79           HG       LEU  79  -1.074  -6.802   1.873
  555   1HD1  LEU  79          HD13      LEU  79  -0.794  -4.324   3.169
  556   2HD1  LEU  79          HD12      LEU  79  -1.154  -5.476   4.455
  557   3HD1  LEU  79          HD11      LEU  79   0.223  -5.749   3.387
  558   1HD2  LEU  79          HD22      LEU  79  -3.392  -6.347   3.774
  559   2HD2  LEU  79          HD21      LEU  79  -3.185  -7.681   2.639
  560   3HD2  LEU  79          HD23      LEU  79  -2.137  -7.555   4.052
  561    H    VAL  80           HN       VAL  80  -2.748  -3.710  -1.426
  562    HA   VAL  80           HA       VAL  80  -2.363  -6.193  -2.946
  563    HB   VAL  80           HB       VAL  80  -3.560  -3.577  -3.899
  564   1HG1  VAL  80          HG11      VAL  80  -3.494  -6.416  -4.867
  565   2HG1  VAL  80          HG13      VAL  80  -4.912  -5.427  -5.218
  566   3HG1  VAL  80          HG12      VAL  80  -3.320  -4.919  -5.783
  567   1HG2  VAL  80          HG23      VAL  80  -4.675  -5.799  -2.205
  568   2HG2  VAL  80          HG22      VAL  80  -4.897  -4.058  -2.038
  569   3HG2  VAL  80          HG21      VAL  80  -5.735  -4.934  -3.317
  570    H    MET  81           HN       MET  81  -1.611  -2.748  -3.587
  571    HA   MET  81           HA       MET  81   0.008  -3.063  -5.832
  572   1HB   MET  81           HB2      MET  81  -0.521  -0.853  -5.011
  573   2HB   MET  81           HB1      MET  81   0.332  -1.160  -3.498
  574   1HG   MET  81           HG2      MET  81   2.458  -1.330  -4.687
  575   2HG   MET  81           HG1      MET  81   1.636  -1.137  -6.235
  576   1HE   MET  81           HE1      MET  81   1.505   0.223  -2.740
  577   2HE   MET  81           HE3      MET  81   1.400   1.983  -2.894
  578   3HE   MET  81           HE2      MET  81   0.026   0.973  -3.333
  579    H    MET  82           HN       MET  82   0.685  -3.987  -2.545
  580    HA   MET  82           HA       MET  82   3.570  -4.255  -2.970
  581   1HB   MET  82           HB2      MET  82   1.692  -4.510  -0.738
  582   2HB   MET  82           HB1      MET  82   2.922  -5.775  -0.737
  583   1HG   MET  82           HG2      MET  82   3.957  -3.083  -1.345
  584   2HG   MET  82           HG1      MET  82   3.294  -3.255   0.280
  585   1HE   MET  82           HE2      MET  82   6.025  -2.631  -0.999
  586   2HE   MET  82           HE1      MET  82   6.373  -2.731   0.725
  587   3HE   MET  82           HE3      MET  82   7.339  -3.659  -0.430
  588    H    VAL  83           HN       VAL  83   0.767  -6.450  -2.774
  589    HA   VAL  83           HA       VAL  83   2.361  -8.836  -3.195
  590    HB   VAL  83           HB       VAL  83  -0.599  -8.469  -3.732
  591   1HG1  VAL  83          HG11      VAL  83   0.878 -10.595  -4.368
  592   2HG1  VAL  83          HG13      VAL  83   0.663 -10.957  -2.656
  593   3HG1  VAL  83          HG12      VAL  83  -0.745 -10.777  -3.704
  594   1HG2  VAL  83          HG23      VAL  83   0.809  -8.115  -1.294
  595   2HG2  VAL  83          HG22      VAL  83  -0.936  -8.239  -1.516
  596   3HG2  VAL  83          HG21      VAL  83   0.017  -9.687  -1.194
  597    H    ARG  84           HN       ARG  84   1.438  -6.311  -5.236
  598    HA   ARG  84           HA       ARG  84   1.040  -7.853  -7.669
  599   1HB   ARG  84           HB2      ARG  84   0.901  -5.096  -6.872
  600   2HB   ARG  84           HB1      ARG  84   1.932  -5.227  -8.297
  601   1HG   ARG  84           HG2      ARG  84   0.039  -5.338  -9.520
  602   2HG   ARG  84           HG1      ARG  84  -0.197  -6.948  -8.840
  603   1HD   ARG  84           HD2      ARG  84  -2.001  -6.232  -7.704
  604   2HD   ARG  84           HD1      ARG  84  -1.028  -4.998  -6.903
  605    HE   ARG  84           HE       ARG  84  -1.495  -3.849  -9.337
  606   1HH1  ARG  84          HH21      ARG  84  -3.826  -6.014  -8.560
  607   2HH1  ARG  84          HH22      ARG  84  -5.100  -4.872  -8.290
  608   1HH2  ARG  84          HH11      ARG  84  -2.998  -2.117  -8.335
  609   2HH2  ARG  84          HH12      ARG  84  -4.631  -2.668  -8.164
  610    H    GLN  85           HN       GLN  85   3.766  -7.125  -5.804
  611    HA   GLN  85           HA       GLN  85   5.630  -7.055  -8.095
  612   1HB   GLN  85           HB2      GLN  85   7.349  -6.645  -6.476
  613   2HB   GLN  85           HB1      GLN  85   5.956  -5.694  -5.962
  614   1HG   GLN  85           HG2      GLN  85   5.312  -7.694  -4.504
  615   2HG   GLN  85           HG1      GLN  85   6.922  -8.329  -4.836
  616   1HE2  GLN  85          HE22      GLN  85   6.867  -4.702  -2.887
  617   2HE2  GLN  85          HE21      GLN  85   5.822  -4.952  -4.200
  618    H    MET  86           HN       MET  86   4.647  -9.243  -5.486
  619    HA   MET  86           HA       MET  86   6.611 -11.265  -5.943
  620   1HB   MET  86           HB2      MET  86   3.800 -11.949  -5.124
  621   2HB   MET  86           HB1      MET  86   5.321 -12.626  -4.542
  622   1HG   MET  86           HG2      MET  86   5.703 -10.094  -3.761
  623   2HG   MET  86           HG1      MET  86   3.940 -10.106  -3.741
  624   1HE   MET  86           HE1      MET  86   2.522 -11.130  -2.410
  625   2HE   MET  86           HE3      MET  86   2.844 -11.858  -0.831
  626   3HE   MET  86           HE2      MET  86   3.229 -10.163  -1.118
  627    H    LYS  87           HN       LYS  87   3.246 -11.032  -7.137
  628    HA   LYS  87           HA       LYS  87   3.474 -13.293  -8.896
  629   1HB   LYS  87           HB2      LYS  87   1.468 -12.100 -10.050
  630   2HB   LYS  87           HB1      LYS  87   1.259 -12.657  -8.389
  631   1HG   LYS  87           HG2      LYS  87   1.476 -10.488  -7.501
  632   2HG   LYS  87           HG1      LYS  87   2.253  -9.871  -8.958
  633   1HD   LYS  87           HD2      LYS  87  -0.507 -10.968  -9.243
  634   2HD   LYS  87           HD1      LYS  87  -0.333  -9.407  -8.439
  635   1HE   LYS  87           HE2      LYS  87   1.108  -8.687 -10.412
  636   2HE   LYS  87           HE1      LYS  87   0.576 -10.159 -11.225
  637   1HZ   LYS  87           HZ3      LYS  87  -1.697  -8.973 -10.192
  638   2HZ   LYS  87           HZ2      LYS  87  -0.801  -7.712 -10.896
  639   3HZ   LYS  87           HZ1      LYS  87  -1.239  -9.067 -11.823
  640    H    GLU  88           HN       GLU  88   4.155  -9.849  -9.263
  641    HA   GLU  88           HA       GLU  88   4.365  -9.638 -12.052
  642   1HB   GLU  88           HB2      GLU  88   5.510  -8.252  -9.729
  643   2HB   GLU  88           HB1      GLU  88   6.549  -8.194 -11.154
  644   1HG   GLU  88           HG2      GLU  88   3.597  -7.530 -11.251
  645   2HG   GLU  88           HG1      GLU  88   4.844  -6.312 -10.975
  646    H    ASP  89           HN       ASP  89   6.742 -10.907  -9.730
  647    HA   ASP  89           HA       ASP  89   7.809 -12.882 -11.398
  648   1HB   ASP  89           HB2      ASP  89   8.591 -10.264 -12.259
  649   2HB   ASP  89           HB1      ASP  89  10.015 -11.086 -11.621
  650    H    ALA  90           HN       ALA  90   8.509 -10.409  -8.984
  651    HA   ALA  90           HA       ALA  90  10.823 -11.484  -7.799
  652   1HB   ALA  90           HB1      ALA  90   8.728  -9.634  -7.043
  653   2HB   ALA  90           HB3      ALA  90   9.189 -10.633  -5.665
  654   3HB   ALA  90           HB2      ALA  90  10.409  -9.682  -6.511
   
  No H/Q in entry =         654
  Start of MODEL   18
    1   1H    ALA   1           HT3      ALA   1  -9.014  -3.600  -8.822
    2   2H    ALA   1           HT2      ALA   1  -9.176  -5.195  -9.384
    3   3H    ALA   1           HT1      ALA   1  -8.302  -4.055 -10.291
    4    HA   ALA   1           HA       ALA   1 -10.137  -3.070 -11.138
    5   1HB   ALA   1           HB1      ALA   1 -10.694  -5.933 -10.504
    6   2HB   ALA   1           HB3      ALA   1 -12.039  -4.959 -11.098
    7   3HB   ALA   1           HB2      ALA   1 -10.578  -5.132 -12.070
    8    H    SER   2           HN       SER   2 -11.289  -4.861  -8.250
    9    HA   SER   2           HA       SER   2 -12.275  -2.582  -6.889
   10   1HB   SER   2           HB2      SER   2 -13.872  -3.236  -9.122
   11   2HB   SER   2           HB1      SER   2 -14.760  -3.811  -7.714
   12    HG   SER   2           HG       SER   2 -13.541  -1.287  -7.636
   13    H    MET   3           HN       MET   3 -10.996  -4.574  -5.785
   14    HA   MET   3           HA       MET   3 -11.096  -6.195  -4.094
   15   1HB   MET   3           HB2      MET   3 -13.956  -5.198  -3.983
   16   2HB   MET   3           HB1      MET   3 -13.239  -6.288  -2.796
   17   1HG   MET   3           HG2      MET   3 -12.482  -4.471  -1.699
   18   2HG   MET   3           HG1      MET   3 -11.401  -4.178  -3.062
   19   1HE   MET   3           HE2      MET   3 -11.081  -2.132  -2.874
   20   2HE   MET   3           HE1      MET   3 -11.729  -1.547  -4.405
   21   3HE   MET   3           HE3      MET   3 -12.168  -0.745  -2.891
   22    H    THR   4           HN       THR   4 -11.957  -6.752  -6.997
   23    HA   THR   4           HA       THR   4 -13.796  -9.028  -6.623
   24    HB   THR   4           HB       THR   4 -14.234  -7.839  -8.619
   25    HG1  THR   4           HG1      THR   4 -13.981  -9.402 -10.079
   26   1HG2  THR   4          HG22      THR   4 -11.308  -7.513  -8.627
   27   2HG2  THR   4          HG21      THR   4 -12.011  -7.765 -10.225
   28   3HG2  THR   4          HG23      THR   4 -12.565  -6.427  -9.219
   29    H    ASP   5           HN       ASP   5 -11.357  -9.570  -9.010
   30    HA   ASP   5           HA       ASP   5 -10.334 -11.814  -7.388
   31   1HB   ASP   5           HB2      ASP   5 -10.875 -11.506 -10.101
   32   2HB   ASP   5           HB1      ASP   5  -9.115 -11.441 -10.019
   33    H    GLN   6           HN       GLN   6  -9.371  -8.670  -8.533
   34    HA   GLN   6           HA       GLN   6  -6.560  -8.864  -8.428
   35   1HB   GLN   6           HB2      GLN   6  -8.108  -6.849  -9.039
   36   2HB   GLN   6           HB1      GLN   6  -7.998  -6.461  -7.322
   37   1HG   GLN   6           HG2      GLN   6  -6.216  -5.259  -8.355
   38   2HG   GLN   6           HG1      GLN   6  -5.458  -6.659  -7.594
   39   1HE2  GLN   6          HE22      GLN   6  -5.473  -6.325 -11.660
   40   2HE2  GLN   6          HE21      GLN   6  -6.330  -5.217 -10.702
   41    H    GLN   7           HN       GLN   7  -8.543  -7.497  -5.775
   42    HA   GLN   7           HA       GLN   7  -6.479  -7.804  -3.817
   43   1HB   GLN   7           HB2      GLN   7  -9.365  -7.130  -3.816
   44   2HB   GLN   7           HB1      GLN   7  -8.744  -7.809  -2.311
   45   1HG   GLN   7           HG2      GLN   7  -8.435  -5.447  -2.128
   46   2HG   GLN   7           HG1      GLN   7  -6.841  -6.113  -2.491
   47   1HE2  GLN   7          HE22      GLN   7  -8.820  -4.125  -5.512
   48   2HE2  GLN   7          HE21      GLN   7  -9.728  -4.940  -4.332
   49    H    ALA   8           HN       ALA   8  -9.278  -9.843  -4.655
   50    HA   ALA   8           HA       ALA   8  -8.982 -11.780  -2.614
   51   1HB   ALA   8           HB1      ALA   8 -10.894 -11.657  -4.225
   52   2HB   ALA   8           HB3      ALA   8  -9.831 -12.292  -5.481
   53   3HB   ALA   8           HB2      ALA   8 -10.225 -13.282  -4.075
   54    H    GLU   9           HN       GLU   9  -6.975 -11.110  -5.339
   55    HA   GLU   9           HA       GLU   9  -5.714 -13.777  -5.300
   56   1HB   GLU   9           HB2      GLU   9  -6.078 -12.218  -7.373
   57   2HB   GLU   9           HB1      GLU   9  -4.627 -11.401  -6.791
   58   1HG   GLU   9           HG2      GLU   9  -3.307 -13.369  -6.999
   59   2HG   GLU   9           HG1      GLU   9  -4.730 -14.395  -7.181
   60    H    ALA  10           HN       ALA  10  -5.011 -10.463  -4.269
   61    HA   ALA  10           HA       ALA  10  -2.274 -10.952  -3.528
   62   1HB   ALA  10           HB2      ALA  10  -3.713  -8.709  -3.762
   63   2HB   ALA  10           HB1      ALA  10  -3.898  -8.947  -2.024
   64   3HB   ALA  10           HB3      ALA  10  -2.288  -8.789  -2.726
   65    H    ARG  11           HN       ARG  11  -5.307 -10.948  -1.636
   66    HA   ARG  11           HA       ARG  11  -3.962 -11.797   0.799
   67   1HB   ARG  11           HB2      ARG  11  -6.294 -12.155   1.633
   68   2HB   ARG  11           HB1      ARG  11  -6.050 -10.547   0.950
   69   1HG   ARG  11           HG2      ARG  11  -7.873 -10.994  -0.316
   70   2HG   ARG  11           HG1      ARG  11  -6.796 -12.025  -1.260
   71   1HD   ARG  11           HD2      ARG  11  -8.433 -13.569  -0.728
   72   2HD   ARG  11           HD1      ARG  11  -7.370 -13.775   0.663
   73    HE   ARG  11           HE       ARG  11  -8.934 -12.118   1.840
   74   1HH1  ARG  11          HH21      ARG  11 -10.621 -11.689  -0.653
   75   2HH1  ARG  11          HH22      ARG  11 -11.975 -12.720  -0.326
   76   1HH2  ARG  11          HH11      ARG  11 -10.367 -14.478   2.191
   77   2HH2  ARG  11          HH12      ARG  11 -11.830 -14.300   1.284
   78    H    ALA  12           HN       ALA  12  -5.247 -13.399  -1.995
   79    HA   ALA  12           HA       ALA  12  -5.960 -15.924  -1.010
   80   1HB   ALA  12           HB2      ALA  12  -4.674 -14.991  -3.555
   81   2HB   ALA  12           HB1      ALA  12  -4.783 -16.723  -3.243
   82   3HB   ALA  12           HB3      ALA  12  -6.249 -15.746  -3.311
   83    H    PHE  13           HN       PHE  13  -2.698 -14.690  -1.740
   84    HA   PHE  13           HA       PHE  13  -1.467 -17.167  -0.739
   85   1HB   PHE  13           HB2      PHE  13   0.091 -14.657  -1.255
   86   2HB   PHE  13           HB1      PHE  13   0.541 -16.334  -1.565
   87    HD1  PHE  13           HD1      PHE  13  -1.653 -17.433  -3.081
   88    HD2  PHE  13           HD2      PHE  13   0.067 -13.502  -3.286
   89    HE1  PHE  13           HE1      PHE  13  -2.438 -17.211  -5.424
   90    HE2  PHE  13           HE2      PHE  13  -0.718 -13.281  -5.629
   91    HZ   PHE  13           HZ       PHE  13  -1.970 -15.135  -6.697
   92    H    LEU  14           HN       LEU  14  -1.981 -13.835   0.336
   93    HA   LEU  14           HA       LEU  14  -0.395 -14.183   2.763
   94   1HB   LEU  14           HB2      LEU  14  -2.488 -12.058   2.248
   95   2HB   LEU  14           HB1      LEU  14  -1.096 -11.966   3.328
   96    HG   LEU  14           HG       LEU  14  -0.813 -12.356   0.342
   97   1HD1  LEU  14          HD13      LEU  14  -1.343  -9.910   1.939
   98   2HD1  LEU  14          HD12      LEU  14  -0.041  -9.791   0.756
   99   3HD1  LEU  14          HD11      LEU  14  -1.666 -10.234   0.236
  100   1HD2  LEU  14          HD22      LEU  14   1.099 -12.976   1.821
  101   2HD2  LEU  14          HD21      LEU  14   1.480 -11.610   0.772
  102   3HD2  LEU  14          HD23      LEU  14   1.094 -11.337   2.472
  103    H    SER  15           HN       SER  15  -1.486 -16.176   3.512
  104    HA   SER  15           HA       SER  15  -4.156 -16.600   4.071
  105   1HB   SER  15           HB2      SER  15  -3.314 -17.771   6.207
  106   2HB   SER  15           HB1      SER  15  -2.649 -18.327   4.674
  107    HG   SER  15           HG       SER  15  -0.894 -17.983   5.907
  108    H    GLU  16           HN       GLU  16  -5.328 -16.373   6.218
  109    HA   GLU  16           HA       GLU  16  -5.513 -13.619   6.960
  110   1HB   GLU  16           HB2      GLU  16  -7.242 -15.553   7.248
  111   2HB   GLU  16           HB1      GLU  16  -6.408 -15.852   8.774
  112   1HG   GLU  16           HG2      GLU  16  -6.701 -13.287   9.157
  113   2HG   GLU  16           HG1      GLU  16  -7.948 -13.413   7.916
  114    H    GLU  17           HN       GLU  17  -3.370 -16.113   7.960
  115    HA   GLU  17           HA       GLU  17  -2.741 -14.923  10.560
  116   1HB   GLU  17           HB2      GLU  17  -0.908 -16.604  10.589
  117   2HB   GLU  17           HB1      GLU  17  -2.471 -17.340  10.230
  118   1HG   GLU  17           HG2      GLU  17  -1.971 -17.405   7.865
  119   2HG   GLU  17           HG1      GLU  17  -0.492 -16.474   8.105
  120    H    MET  18           HN       MET  18  -1.601 -14.671   7.265
  121    HA   MET  18           HA       MET  18   0.916 -13.377   7.967
  122   1HB   MET  18           HB2      MET  18   0.187 -14.631   5.751
  123   2HB   MET  18           HB1      MET  18  -0.384 -13.027   5.289
  124   1HG   MET  18           HG2      MET  18   1.772 -12.768   4.570
  125   2HG   MET  18           HG1      MET  18   2.062 -12.389   6.268
  126   1HE   MET  18           HE2      MET  18   3.460 -13.872   3.513
  127   2HE   MET  18           HE1      MET  18   4.558 -13.243   4.738
  128   3HE   MET  18           HE3      MET  18   4.676 -14.930   4.222
  129    H    ILE  19           HN       ILE  19  -2.101 -12.183   6.432
  130    HA   ILE  19           HA       ILE  19  -1.429  -9.430   6.542
  131    HB   ILE  19           HB       ILE  19  -4.223 -10.546   6.874
  132   1HG1  ILE  19          HG12      ILE  19  -3.425  -9.902   4.149
  133   2HG1  ILE  19          HG11      ILE  19  -2.414 -11.179   4.827
  134   1HG2  ILE  19          HG21      ILE  19  -3.398  -7.968   6.904
  135   2HG2  ILE  19          HG23      ILE  19  -3.587  -8.201   5.166
  136   3HG2  ILE  19          HG22      ILE  19  -4.956  -8.469   6.245
  137   1HD1  ILE  19          HD11      ILE  19  -5.437 -11.213   4.990
  138   2HD1  ILE  19          HD13      ILE  19  -4.536 -11.980   3.682
  139   3HD1  ILE  19          HD12      ILE  19  -4.325 -12.536   5.342
  140    H    ALA  20           HN       ALA  20  -3.177 -11.454   8.894
  141    HA   ALA  20           HA       ALA  20  -3.735  -9.429  10.793
  142   1HB   ALA  20           HB1      ALA  20  -4.524 -11.865  10.788
  143   2HB   ALA  20           HB3      ALA  20  -2.964 -12.262  11.511
  144   3HB   ALA  20           HB2      ALA  20  -4.082 -11.193  12.358
  145    H    GLU  21           HN       GLU  21  -0.795 -11.322  10.228
  146    HA   GLU  21           HA       GLU  21   0.559 -10.270  12.588
  147   1HB   GLU  21           HB2      GLU  21   1.020 -12.352  10.752
  148   2HB   GLU  21           HB1      GLU  21   2.356 -11.224  10.519
  149   1HG   GLU  21           HG2      GLU  21   2.236 -11.254  13.227
  150   2HG   GLU  21           HG1      GLU  21   1.677 -12.890  12.878
  151    H    PHE  22           HN       PHE  22   0.059  -9.227   9.319
  152    HA   PHE  22           HA       PHE  22   2.333  -7.373   9.322
  153   1HB   PHE  22           HB2      PHE  22   0.387  -8.353   7.395
  154   2HB   PHE  22           HB1      PHE  22   0.548  -6.599   7.305
  155    HD1  PHE  22           HD2      PHE  22   3.197  -5.879   7.744
  156    HD2  PHE  22           HD1      PHE  22   1.769  -9.493   5.916
  157    HE1  PHE  22           HE2      PHE  22   5.363  -6.138   6.565
  158    HE2  PHE  22           HE1      PHE  22   3.935  -9.753   4.737
  159    HZ   PHE  22           HZ       PHE  22   5.733  -8.076   5.062
  160    H    LYS  23           HN       LYS  23  -0.807  -7.389  10.611
  161    HA   LYS  23           HA       LYS  23  -1.558  -4.649  10.279
  162   1HB   LYS  23           HB2      LYS  23  -2.777  -6.806  11.368
  163   2HB   LYS  23           HB1      LYS  23  -2.250  -5.990  12.840
  164   1HG   LYS  23           HG2      LYS  23  -3.298  -4.009  11.069
  165   2HG   LYS  23           HG1      LYS  23  -4.464  -5.330  11.158
  166   1HD   LYS  23           HD2      LYS  23  -3.210  -4.005  13.580
  167   2HD   LYS  23           HD1      LYS  23  -4.801  -3.593  12.937
  168   1HE   LYS  23           HE2      LYS  23  -5.645  -5.250  14.209
  169   2HE   LYS  23           HE1      LYS  23  -4.818  -6.389  13.147
  170   1HZ   LYS  23           HZ1      LYS  23  -2.794  -5.797  14.644
  171   2HZ   LYS  23           HZ3      LYS  23  -3.987  -5.346  15.763
  172   3HZ   LYS  23           HZ2      LYS  23  -3.937  -6.938  15.169
  173    H    ALA  24           HN       ALA  24   0.944  -6.103  12.117
  174    HA   ALA  24           HA       ALA  24   1.084  -3.940  14.103
  175   1HB   ALA  24           HB2      ALA  24   2.799  -6.353  13.501
  176   2HB   ALA  24           HB1      ALA  24   3.292  -5.131  14.673
  177   3HB   ALA  24           HB3      ALA  24   1.807  -6.049  14.927
  178    H    ALA  25           HN       ALA  25   2.950  -5.018  11.259
  179    HA   ALA  25           HA       ALA  25   4.735  -2.696  11.449
  180   1HB   ALA  25           HB2      ALA  25   4.538  -5.142   9.789
  181   2HB   ALA  25           HB1      ALA  25   5.196  -3.726   8.968
  182   3HB   ALA  25           HB3      ALA  25   5.966  -4.330  10.434
  183    H    PHE  26           HN       PHE  26   1.611  -2.828  10.698
  184    HA   PHE  26           HA       PHE  26   1.664  -1.344   8.159
  185   1HB   PHE  26           HB2      PHE  26  -0.181  -2.928   8.677
  186   2HB   PHE  26           HB1      PHE  26  -0.644  -1.916  10.046
  187    HD1  PHE  26           HD1      PHE  26   0.239  -1.409   6.426
  188    HD2  PHE  26           HD2      PHE  26  -2.436  -0.488   9.659
  189    HE1  PHE  26           HE1      PHE  26  -1.097   0.030   4.911
  190    HE2  PHE  26           HE2      PHE  26  -3.771   0.951   8.144
  191    HZ   PHE  26           HZ       PHE  26  -3.102   1.210   5.770
  192    H    ASP  27           HN       ASP  27   0.872  -0.686  11.576
  193    HA   ASP  27           HA       ASP  27   0.246   2.085  11.203
  194   1HB   ASP  27           HB2      ASP  27   1.480   0.928  13.707
  195   2HB   ASP  27           HB1      ASP  27   0.337   2.264  13.572
  196    H    MET  28           HN       MET  28   3.265   0.359  11.357
  197    HA   MET  28           HA       MET  28   5.107   2.225  12.242
  198   1HB   MET  28           HB2      MET  28   5.138   0.074  10.224
  199   2HB   MET  28           HB1      MET  28   6.364   1.317   9.975
  200   1HG   MET  28           HG2      MET  28   7.339   0.947  12.095
  201   2HG   MET  28           HG1      MET  28   5.919   0.090  12.695
  202   1HE   MET  28           HE1      MET  28   9.053   0.072  12.089
  203   2HE   MET  28           HE3      MET  28   9.477  -1.644  12.154
  204   3HE   MET  28           HE2      MET  28   9.505  -0.783  10.618
  205    H    PHE  29           HN       PHE  29   3.241   2.308   9.262
  206    HA   PHE  29           HA       PHE  29   4.703   4.653   8.251
  207   1HB   PHE  29           HB2      PHE  29   2.123   3.416   7.239
  208   2HB   PHE  29           HB1      PHE  29   3.160   4.549   6.371
  209    HD1  PHE  29           HD1      PHE  29   5.715   3.795   6.212
  210    HD2  PHE  29           HD2      PHE  29   2.393   1.140   6.814
  211    HE1  PHE  29           HE1      PHE  29   7.071   1.904   5.353
  212    HE2  PHE  29           HE2      PHE  29   3.749  -0.751   5.956
  213    HZ   PHE  29           HZ       PHE  29   6.088  -0.369   5.224
  214    H    ASP  30           HN       ASP  30   1.521   3.914   9.658
  215    HA   ASP  30           HA       ASP  30   0.378   6.499   9.460
  216   1HB   ASP  30           HB2      ASP  30  -1.019   4.679  10.159
  217   2HB   ASP  30           HB1      ASP  30   0.036   4.312  11.524
  218    H    ALA  31           HN       ALA  31   0.125   8.093  11.258
  219    HA   ALA  31           HA       ALA  31   2.424   8.093  13.157
  220   1HB   ALA  31           HB1      ALA  31   2.628   9.564  10.943
  221   2HB   ALA  31           HB3      ALA  31   1.629  10.677  11.877
  222   3HB   ALA  31           HB2      ALA  31   3.201  10.170  12.497
  223    H    ASP  32           HN       ASP  32  -0.216  10.362  12.310
  224    HA   ASP  32           HA       ASP  32  -0.789  11.284  14.867
  225   1HB   ASP  32           HB2      ASP  32  -1.982  11.558  12.411
  226   2HB   ASP  32           HB1      ASP  32  -3.210  10.660  13.303
  227    H    GLY  33           HN       GLY  33  -2.405   8.480  13.316
  228   1HA   GLY  33           HA2      GLY  33  -2.342   6.455  14.973
  229   2HA   GLY  33           HA1      GLY  33  -3.198   7.569  16.040
  230    H    GLY  34           HN       GLY  34  -3.417   6.221  12.733
  231   1HA   GLY  34           HA2      GLY  34  -6.337   5.880  13.182
  232   2HA   GLY  34           HA1      GLY  34  -5.808   6.763  11.749
  233    H    GLY  35           HN       GLY  35  -4.266   5.560  10.297
  234   1HA   GLY  35           HA2      GLY  35  -3.440   3.034  10.140
  235   2HA   GLY  35           HA1      GLY  35  -5.178   2.751  10.048
  236    H    ASP  36           HN       ASP  36  -2.884   5.077   8.583
  237    HA   ASP  36           HA       ASP  36  -3.196   4.129   5.918
  238   1HB   ASP  36           HB2      ASP  36  -4.656   5.992   5.043
  239   2HB   ASP  36           HB1      ASP  36  -5.510   4.830   6.059
  240    H    ILE  37           HN       ILE  37  -2.403   5.887   4.319
  241    HA   ILE  37           HA       ILE  37  -0.676   7.870   5.731
  242    HB   ILE  37           HB       ILE  37   0.921   7.240   3.656
  243   1HG1  ILE  37          HG12      ILE  37  -0.789   5.430   3.011
  244   2HG1  ILE  37          HG11      ILE  37   0.893   4.917   3.134
  245   1HG2  ILE  37          HG23      ILE  37   0.713   5.925   6.370
  246   2HG2  ILE  37          HG22      ILE  37   2.082   5.660   5.291
  247   3HG2  ILE  37          HG21      ILE  37   1.738   7.279   5.897
  248   1HD1  ILE  37          HD11      ILE  37  -0.451   4.734   5.707
  249   2HD1  ILE  37          HD13      ILE  37  -1.290   3.790   4.477
  250   3HD1  ILE  37          HD12      ILE  37   0.414   3.486   4.810
  251    H    SER  38           HN       SER  38  -0.398   9.819   4.623
  252    HA   SER  38           HA       SER  38  -2.052  10.115   2.149
  253   1HB   SER  38           HB2      SER  38  -1.396  12.644   3.327
  254   2HB   SER  38           HB1      SER  38  -2.984  11.906   3.145
  255    HG   SER  38           HG       SER  38  -1.188  11.830   5.302
  256    H    THR  39           HN       THR  39  -1.176  11.589   0.503
  257    HA   THR  39           HA       THR  39   1.475  11.105  -0.236
  258    HB   THR  39           HB       THR  39   1.266  12.969  -1.779
  259    HG1  THR  39           HG1      THR  39   0.454  14.655  -0.789
  260   1HG2  THR  39          HG21      THR  39  -0.730  10.952  -1.416
  261   2HG2  THR  39          HG23      THR  39  -1.525  12.420  -1.985
  262   3HG2  THR  39          HG22      THR  39  -0.206  11.713  -2.919
  263    H    LYS  40           HN       LYS  40   0.283  13.299   2.176
  264    HA   LYS  40           HA       LYS  40   2.322  15.227   2.298
  265   1HB   LYS  40           HB2      LYS  40   0.368  15.346   3.750
  266   2HB   LYS  40           HB1      LYS  40   0.858  13.869   4.581
  267   1HG   LYS  40           HG2      LYS  40   2.340  14.974   5.886
  268   2HG   LYS  40           HG1      LYS  40   2.980  15.889   4.519
  269   1HD   LYS  40           HD2      LYS  40   1.095  17.443   4.636
  270   2HD   LYS  40           HD1      LYS  40   0.373  16.504   5.944
  271   1HE   LYS  40           HE2      LYS  40   1.617  17.606   7.457
  272   2HE   LYS  40           HE1      LYS  40   3.094  17.107   6.632
  273   1HZ   LYS  40           HZ2      LYS  40   1.714  19.164   5.215
  274   2HZ   LYS  40           HZ1      LYS  40   2.114  19.651   6.792
  275   3HZ   LYS  40           HZ3      LYS  40   3.328  19.111   5.739
  276    H    GLU  41           HN       GLU  41   2.346  12.752   4.829
  277    HA   GLU  41           HA       GLU  41   5.221  12.799   4.998
  278   1HB   GLU  41           HB2      GLU  41   3.023  11.587   6.432
  279   2HB   GLU  41           HB1      GLU  41   4.295  10.394   6.159
  280   1HG   GLU  41           HG2      GLU  41   5.785  11.478   7.504
  281   2HG   GLU  41           HG1      GLU  41   5.230  13.075   7.001
  282    H    LEU  42           HN       LEU  42   2.905  10.693   3.379
  283    HA   LEU  42           HA       LEU  42   4.371   8.460   2.713
  284   1HB   LEU  42           HB2      LEU  42   2.145   8.661   1.861
  285   2HB   LEU  42           HB1      LEU  42   2.534  10.144   0.997
  286    HG   LEU  42           HG       LEU  42   2.361   7.955  -0.374
  287   1HD1  LEU  42          HD12      LEU  42   3.809  10.293  -0.710
  288   2HD1  LEU  42          HD11      LEU  42   5.004   9.034  -1.016
  289   3HD1  LEU  42          HD13      LEU  42   3.513   9.080  -1.955
  290   1HD2  LEU  42          HD22      LEU  42   4.258   7.114   1.500
  291   2HD2  LEU  42          HD21      LEU  42   3.830   6.287   0.005
  292   3HD2  LEU  42          HD23      LEU  42   5.193   7.403   0.035
  293    H    GLY  43           HN       GLY  43   4.799  11.724   1.439
  294   1HA   GLY  43           HA2      GLY  43   6.520  11.202  -0.726
  295   2HA   GLY  43           HA1      GLY  43   6.603  12.659   0.265
  296    H    THR  44           HN       THR  44   7.546  11.981   2.627
  297    HA   THR  44           HA       THR  44  10.295  11.319   2.167
  298    HB   THR  44           HB       THR  44   9.642  12.696   4.070
  299    HG1  THR  44           HG1      THR  44  10.907  11.684   5.569
  300   1HG2  THR  44          HG22      THR  44   8.011  10.265   4.745
  301   2HG2  THR  44          HG21      THR  44   8.555  11.341   6.032
  302   3HG2  THR  44          HG23      THR  44   7.528  11.961   4.739
  303    H    VAL  45           HN       VAL  45   7.529   9.328   2.565
  304    HA   VAL  45           HA       VAL  45   8.887   7.041   3.730
  305    HB   VAL  45           HB       VAL  45   6.242   7.410   2.309
  306   1HG1  VAL  45          HG11      VAL  45   7.769   4.940   2.775
  307   2HG1  VAL  45          HG13      VAL  45   6.146   4.904   3.463
  308   3HG1  VAL  45          HG12      VAL  45   6.366   5.216   1.741
  309   1HG2  VAL  45          HG23      VAL  45   7.033   6.632   5.136
  310   2HG2  VAL  45          HG22      VAL  45   6.423   8.209   4.632
  311   3HG2  VAL  45          HG21      VAL  45   5.377   6.792   4.551
  312    H    MET  46           HN       MET  46   7.550   7.522   0.433
  313    HA   MET  46           HA       MET  46   9.070   5.338  -0.671
  314   1HB   MET  46           HB2      MET  46   6.956   6.779  -1.564
  315   2HB   MET  46           HB1      MET  46   8.254   7.552  -2.475
  316   1HG   MET  46           HG2      MET  46   7.993   5.830  -3.931
  317   2HG   MET  46           HG1      MET  46   8.889   4.890  -2.737
  318   1HE   MET  46           HE3      MET  46   8.254   3.273  -1.429
  319   2HE   MET  46           HE2      MET  46   7.092   4.030  -0.343
  320   3HE   MET  46           HE1      MET  46   6.666   2.536  -1.174
  321    H    ARG  47           HN       ARG  47   9.981   8.449   0.305
  322    HA   ARG  47           HA       ARG  47  12.053   8.890  -1.698
  323   1HB   ARG  47           HB2      ARG  47  10.831  10.604  -0.097
  324   2HB   ARG  47           HB1      ARG  47  12.127  10.162   1.016
  325   1HG   ARG  47           HG2      ARG  47  13.504  10.534  -1.333
  326   2HG   ARG  47           HG1      ARG  47  12.241  11.760  -1.454
  327   1HD   ARG  47           HD2      ARG  47  12.941  12.160   1.104
  328   2HD   ARG  47           HD1      ARG  47  14.474  11.527   0.505
  329    HE   ARG  47           HE       ARG  47  13.314  14.117  -0.166
  330   1HH1  ARG  47          HH11      ARG  47  13.823  12.562  -2.751
  331   2HH1  ARG  47          HH12      ARG  47  15.431  13.076  -3.132
  332   1HH2  ARG  47          HH21      ARG  47  16.062  14.347   0.032
  333   2HH2  ARG  47          HH22      ARG  47  16.700  14.085  -1.557
  334    H    MET  48           HN       MET  48  11.753   6.998   1.149
  335    HA   MET  48           HA       MET  48  14.250   6.912   2.321
  336   1HB   MET  48           HB2      MET  48  12.539   4.545   1.503
  337   2HB   MET  48           HB1      MET  48  13.882   4.459   2.644
  338   1HG   MET  48           HG2      MET  48  12.780   5.836   4.223
  339   2HG   MET  48           HG1      MET  48  11.614   6.410   3.032
  340   1HE   MET  48           HE2      MET  48  10.511   5.806   5.519
  341   2HE   MET  48           HE1      MET  48   9.889   4.203   5.904
  342   3HE   MET  48           HE3      MET  48  11.606   4.566   6.123
  343    H    LEU  49           HN       LEU  49  13.389   5.731  -0.884
  344    HA   LEU  49           HA       LEU  49  16.027   4.503  -1.275
  345   1HB   LEU  49           HB2      LEU  49  15.062   4.522  -3.776
  346   2HB   LEU  49           HB1      LEU  49  14.567   3.317  -2.590
  347    HG   LEU  49           HG       LEU  49  13.033   5.880  -2.681
  348   1HD1  LEU  49          HD12      LEU  49  13.493   4.656  -5.063
  349   2HD1  LEU  49          HD11      LEU  49  12.091   3.743  -4.501
  350   3HD1  LEU  49          HD13      LEU  49  11.990   5.495  -4.675
  351   1HD2  LEU  49          HD21      LEU  49  12.778   3.709  -1.164
  352   2HD2  LEU  49          HD23      LEU  49  11.357   4.580  -1.739
  353   3HD2  LEU  49          HD22      LEU  49  11.887   3.115  -2.565
  354    H    GLY  50           HN       GLY  50  14.315   7.145  -3.027
  355   1HA   GLY  50           HA2      GLY  50  15.969   9.251  -2.855
  356   2HA   GLY  50           HA1      GLY  50  16.950   8.191  -3.869
  357    H    GLN  51           HN       GLN  51  13.846   9.906  -3.701
  358    HA   GLN  51           HA       GLN  51  13.882  10.103  -6.668
  359   1HB   GLN  51           HB2      GLN  51  12.478   8.100  -5.912
  360   2HB   GLN  51           HB1      GLN  51  11.407   9.269  -5.139
  361   1HG   GLN  51           HG2      GLN  51  10.633  10.096  -7.132
  362   2HG   GLN  51           HG1      GLN  51  12.148   9.776  -7.977
  363   1HE2  GLN  51          HE22      GLN  51   9.175   7.079  -8.210
  364   2HE2  GLN  51          HE21      GLN  51   8.964   8.621  -7.533
  365    H    ASN  52           HN       ASN  52  12.998  12.172  -7.312
  366    HA   ASN  52           HA       ASN  52  12.707  14.117  -5.256
  367   1HB   ASN  52           HB2      ASN  52  12.083  13.975  -8.147
  368   2HB   ASN  52           HB1      ASN  52  11.108  15.124  -7.230
  369   1HD2  ASN  52          HD22      ASN  52  13.749  17.443  -7.546
  370   2HD2  ASN  52          HD21      ASN  52  12.108  17.101  -7.815
  371    HA   PRO  53           HA       PRO  53   8.638  12.717  -4.096
  372   1HB   PRO  53           HB2      PRO  53   8.593  14.077  -1.717
  373   2HB   PRO  53           HB1      PRO  53   9.506  12.579  -1.963
  374   1HG   PRO  53           HG2      PRO  53  10.536  15.325  -1.628
  375   2HG   PRO  53           HG1      PRO  53  11.392  13.783  -1.483
  376   1HD   PRO  53           HD2      PRO  53  11.369  15.614  -3.743
  377   2HD   PRO  53           HD1      PRO  53  12.302  14.112  -3.538
  378    H    THR  54           HN       THR  54   8.419  14.595  -6.064
  379    HA   THR  54           HA       THR  54   7.450  17.171  -5.336
  380    HB   THR  54           HB       THR  54   6.401  15.578  -7.678
  381    HG1  THR  54           HG1      THR  54   8.958  16.554  -7.147
  382   1HG2  THR  54          HG22      THR  54   5.935  18.156  -6.832
  383   2HG2  THR  54          HG21      THR  54   7.234  18.374  -8.006
  384   3HG2  THR  54          HG23      THR  54   5.734  17.580  -8.487
  385    H    LYS  55           HN       LYS  55   5.250  17.915  -5.080
  386    HA   LYS  55           HA       LYS  55   3.568  16.220  -3.536
  387   1HB   LYS  55           HB2      LYS  55   3.446  18.743  -3.614
  388   2HB   LYS  55           HB1      LYS  55   2.655  18.594  -5.183
  389   1HG   LYS  55           HG2      LYS  55   1.385  16.812  -3.318
  390   2HG   LYS  55           HG1      LYS  55   1.447  18.431  -2.620
  391   1HD   LYS  55           HD2      LYS  55   0.396  19.374  -4.606
  392   2HD   LYS  55           HD1      LYS  55   0.434  17.802  -5.407
  393   1HE   LYS  55           HE2      LYS  55  -1.192  16.890  -3.964
  394   2HE   LYS  55           HE1      LYS  55  -0.953  18.149  -2.753
  395   1HZ   LYS  55           HZ3      LYS  55  -1.837  18.953  -5.424
  396   2HZ   LYS  55           HZ2      LYS  55  -2.973  18.209  -4.402
  397   3HZ   LYS  55           HZ1      LYS  55  -2.194  19.639  -3.914
  398    H    GLU  56           HN       GLU  56   3.921  16.657  -6.965
  399    HA   GLU  56           HA       GLU  56   1.426  15.191  -7.548
  400   1HB   GLU  56           HB2      GLU  56   2.827  17.117  -8.933
  401   2HB   GLU  56           HB1      GLU  56   3.332  15.638  -9.752
  402   1HG   GLU  56           HG2      GLU  56   0.868  15.011  -9.875
  403   2HG   GLU  56           HG1      GLU  56   0.514  16.659  -9.354
  404    H    GLU  57           HN       GLU  57   4.809  14.638  -7.140
  405    HA   GLU  57           HA       GLU  57   5.057  12.207  -8.647
  406   1HB   GLU  57           HB2      GLU  57   6.910  13.704  -7.608
  407   2HB   GLU  57           HB1      GLU  57   6.615  12.785  -6.131
  408   1HG   GLU  57           HG2      GLU  57   8.306  11.534  -7.160
  409   2HG   GLU  57           HG1      GLU  57   6.846  10.696  -7.689
  410    H    LEU  58           HN       LEU  58   4.161  12.881  -5.267
  411    HA   LEU  58           HA       LEU  58   3.899  10.042  -4.621
  412   1HB   LEU  58           HB2      LEU  58   2.975  12.522  -3.136
  413   2HB   LEU  58           HB1      LEU  58   2.926  10.882  -2.490
  414    HG   LEU  58           HG       LEU  58   4.943  11.766  -1.634
  415   1HD1  LEU  58          HD11      LEU  58   5.098   9.563  -3.019
  416   2HD1  LEU  58          HD13      LEU  58   5.979  10.546  -4.187
  417   3HD1  LEU  58          HD12      LEU  58   6.596  10.363  -2.545
  418   1HD2  LEU  58          HD23      LEU  58   4.772  13.707  -3.403
  419   2HD2  LEU  58          HD22      LEU  58   6.345  13.275  -2.732
  420   3HD2  LEU  58          HD21      LEU  58   5.880  12.697  -4.333
  421    H    ASP  59           HN       ASP  59   2.061  12.137  -6.449
  422    HA   ASP  59           HA       ASP  59  -0.560  11.089  -5.589
  423   1HB   ASP  59           HB2      ASP  59   0.236  12.978  -7.826
  424   2HB   ASP  59           HB1      ASP  59  -1.428  12.548  -7.423
  425    H    ALA  60           HN       ALA  60   1.775  10.675  -8.199
  426    HA   ALA  60           HA       ALA  60   0.154   9.236 -10.033
  427   1HB   ALA  60           HB1      ALA  60   2.911   9.857  -9.736
  428   2HB   ALA  60           HB3      ALA  60   2.801   8.111  -9.955
  429   3HB   ALA  60           HB2      ALA  60   2.105   9.196 -11.159
  430    H    ILE  61           HN       ILE  61   2.045   8.096  -7.241
  431    HA   ILE  61           HA       ILE  61   1.353   5.307  -7.644
  432    HB   ILE  61           HB       ILE  61   2.024   6.368  -4.927
  433   1HG1  ILE  61          HG12      ILE  61   4.493   6.035  -6.146
  434   2HG1  ILE  61          HG11      ILE  61   3.559   6.918  -7.357
  435   1HG2  ILE  61          HG22      ILE  61   2.362   3.910  -6.523
  436   2HG2  ILE  61          HG21      ILE  61   3.749   4.346  -5.525
  437   3HG2  ILE  61          HG23      ILE  61   2.168   4.108  -4.781
  438   1HD1  ILE  61          HD12      ILE  61   3.300   7.820  -4.535
  439   2HD1  ILE  61          HD11      ILE  61   4.827   8.164  -5.346
  440   3HD1  ILE  61          HD13      ILE  61   3.315   8.768  -6.023
  441    H    ILE  62           HN       ILE  62  -0.157   8.042  -6.104
  442    HA   ILE  62           HA       ILE  62  -1.947   6.559  -4.405
  443    HB   ILE  62           HB       ILE  62  -2.054   9.356  -5.554
  444   1HG1  ILE  62          HG12      ILE  62  -0.334   8.722  -3.799
  445   2HG1  ILE  62          HG11      ILE  62  -1.429  10.022  -3.325
  446   1HG2  ILE  62          HG23      ILE  62  -4.351   8.445  -5.158
  447   2HG2  ILE  62          HG22      ILE  62  -3.896   8.120  -3.484
  448   3HG2  ILE  62          HG21      ILE  62  -3.948   9.779  -4.078
  449   1HD1  ILE  62          HD12      ILE  62  -2.449   7.344  -2.682
  450   2HD1  ILE  62          HD11      ILE  62  -0.947   7.742  -1.848
  451   3HD1  ILE  62          HD13      ILE  62  -2.357   8.785  -1.669
  452    H    GLU  63           HN       GLU  63  -1.992   7.477  -7.787
  453    HA   GLU  63           HA       GLU  63  -4.829   6.812  -8.127
  454   1HB   GLU  63           HB2      GLU  63  -3.109   8.385  -9.541
  455   2HB   GLU  63           HB1      GLU  63  -3.074   6.911 -10.510
  456   1HG   GLU  63           HG2      GLU  63  -5.328   7.039 -11.039
  457   2HG   GLU  63           HG1      GLU  63  -5.725   7.958  -9.587
  458    H    GLU  64           HN       GLU  64  -1.872   5.107  -8.010
  459    HA   GLU  64           HA       GLU  64  -2.799   2.888  -9.714
  460   1HB   GLU  64           HB2      GLU  64  -0.448   3.325  -9.823
  461   2HB   GLU  64           HB1      GLU  64  -0.304   3.352  -8.065
  462   1HG   GLU  64           HG2      GLU  64  -0.691   0.997  -7.904
  463   2HG   GLU  64           HG1      GLU  64  -1.209   0.898  -9.588
  464    H    VAL  65           HN       VAL  65  -3.599   3.849  -6.668
  465    HA   VAL  65           HA       VAL  65  -4.437   1.120  -5.950
  466    HB   VAL  65           HB       VAL  65  -2.198   1.239  -4.953
  467   1HG1  VAL  65          HG13      VAL  65  -2.212   3.776  -4.831
  468   2HG1  VAL  65          HG12      VAL  65  -3.208   3.622  -3.383
  469   3HG1  VAL  65          HG11      VAL  65  -1.573   2.963  -3.403
  470   1HG2  VAL  65          HG22      VAL  65  -4.598   1.382  -3.135
  471   2HG2  VAL  65          HG21      VAL  65  -3.651  -0.030  -3.605
  472   3HG2  VAL  65          HG23      VAL  65  -2.984   1.140  -2.467
  473    H    ASP  66           HN       ASP  66  -4.197   4.492  -4.762
  474    HA   ASP  66           HA       ASP  66  -6.556   4.296  -3.120
  475   1HB   ASP  66           HB2      ASP  66  -4.658   6.054  -3.027
  476   2HB   ASP  66           HB1      ASP  66  -5.538   6.867  -4.323
  477    H    GLU  67           HN       GLU  67  -8.124   3.327  -4.563
  478    HA   GLU  67           HA       GLU  67  -8.942   4.813  -6.961
  479   1HB   GLU  67           HB2      GLU  67  -9.031   2.304  -6.814
  480   2HB   GLU  67           HB1      GLU  67 -10.316   2.468  -5.617
  481   1HG   GLU  67           HG2      GLU  67 -11.644   2.332  -7.483
  482   2HG   GLU  67           HG1      GLU  67 -11.319   4.065  -7.542
  483    H    ASP  68           HN       ASP  68  -9.853   4.596  -3.605
  484    HA   ASP  68           HA       ASP  68 -12.529   5.500  -3.709
  485   1HB   ASP  68           HB2      ASP  68 -10.436   5.297  -1.716
  486   2HB   ASP  68           HB1      ASP  68 -11.342   6.797  -1.505
  487    H    GLY  69           HN       GLY  69  -9.546   7.469  -3.429
  488   1HA   GLY  69           HA2      GLY  69  -9.298   9.496  -4.804
  489   2HA   GLY  69           HA1      GLY  69 -11.051   9.692  -4.739
  490    H    SER  70           HN       SER  70  -8.589   9.123  -2.200
  491    HA   SER  70           HA       SER  70  -9.520  11.656  -0.913
  492   1HB   SER  70           HB2      SER  70  -8.640   9.460   0.874
  493   2HB   SER  70           HB1      SER  70  -9.935  10.635   1.089
  494    HG   SER  70           HG       SER  70 -11.192   9.436  -0.346
  495    H    GLY  71           HN       GLY  71  -6.965  10.078  -2.277
  496   1HA   GLY  71           HA2      GLY  71  -4.672  10.599  -2.294
  497   2HA   GLY  71           HA1      GLY  71  -5.038  11.952  -1.222
  498    H    THR  72           HN       THR  72  -5.730   8.526  -0.606
  499    HA   THR  72           HA       THR  72  -3.476   8.275   1.251
  500    HB   THR  72           HB       THR  72  -4.547   8.555   3.237
  501    HG1  THR  72           HG1      THR  72  -6.990   7.926   3.142
  502   1HG2  THR  72          HG23      THR  72  -6.625   9.782   1.408
  503   2HG2  THR  72          HG22      THR  72  -6.532  10.055   3.148
  504   3HG2  THR  72          HG21      THR  72  -5.222  10.599   2.098
  505    H    ILE  73           HN       ILE  73  -4.080   6.073   2.629
  506    HA   ILE  73           HA       ILE  73  -5.609   4.174   1.031
  507    HB   ILE  73           HB       ILE  73  -3.498   2.677   0.785
  508   1HG1  ILE  73          HG12      ILE  73  -1.895   5.123   0.454
  509   2HG1  ILE  73          HG11      ILE  73  -2.325   4.783   2.131
  510   1HG2  ILE  73          HG23      ILE  73  -4.806   3.953  -1.033
  511   2HG2  ILE  73          HG22      ILE  73  -3.521   5.158  -0.938
  512   3HG2  ILE  73          HG21      ILE  73  -3.145   3.501  -1.412
  513   1HD1  ILE  73          HD13      ILE  73  -1.113   2.736   0.255
  514   2HD1  ILE  73          HD12      ILE  73  -0.174   3.701   1.393
  515   3HD1  ILE  73          HD11      ILE  73  -1.379   2.560   1.989
  516    H    ASP  74           HN       ASP  74  -6.184   2.388   2.268
  517    HA   ASP  74           HA       ASP  74  -5.303   2.444   5.100
  518   1HB   ASP  74           HB2      ASP  74  -7.403   0.650   3.857
  519   2HB   ASP  74           HB1      ASP  74  -7.213   1.071   5.559
  520    H    PHE  75           HN       PHE  75  -5.556  -0.214   5.820
  521    HA   PHE  75           HA       PHE  75  -3.123  -1.325   4.618
  522   1HB   PHE  75           HB2      PHE  75  -2.918  -2.477   6.563
  523   2HB   PHE  75           HB1      PHE  75  -4.213  -1.441   7.150
  524    HD1  PHE  75           HD2      PHE  75  -6.636  -2.379   6.007
  525    HD2  PHE  75           HD1      PHE  75  -3.218  -4.681   7.218
  526    HE1  PHE  75           HE2      PHE  75  -8.081  -4.373   6.300
  527    HE2  PHE  75           HE1      PHE  75  -4.664  -6.675   7.511
  528    HZ   PHE  75           HZ       PHE  75  -7.096  -6.521   7.052
  529    H    GLU  76           HN       GLU  76  -6.383  -1.417   3.857
  530    HA   GLU  76           HA       GLU  76  -6.516  -4.193   2.951
  531   1HB   GLU  76           HB2      GLU  76  -8.526  -2.829   3.642
  532   2HB   GLU  76           HB1      GLU  76  -8.311  -1.877   2.172
  533   1HG   GLU  76           HG2      GLU  76  -8.888  -3.649   0.775
  534   2HG   GLU  76           HG1      GLU  76  -8.431  -4.869   1.965
  535    H    GLU  77           HN       GLU  77  -6.856  -1.157   1.072
  536    HA   GLU  77           HA       GLU  77  -6.139  -2.390  -1.410
  537   1HB   GLU  77           HB2      GLU  77  -5.807  -0.040  -2.207
  538   2HB   GLU  77           HB1      GLU  77  -7.345  -0.268  -1.373
  539   1HG   GLU  77           HG2      GLU  77  -5.762   0.391   0.729
  540   2HG   GLU  77           HG1      GLU  77  -4.964   1.300  -0.554
  541    H    PHE  78           HN       PHE  78  -4.243  -0.650   1.032
  542    HA   PHE  78           HA       PHE  78  -1.788  -0.508  -0.393
  543   1HB   PHE  78           HB2      PHE  78  -2.423   0.546   1.881
  544   2HB   PHE  78           HB1      PHE  78  -1.963  -1.006   2.581
  545    HD1  PHE  78           HD2      PHE  78  -0.535   1.010  -0.243
  546    HD2  PHE  78           HD1      PHE  78   0.128  -0.790   3.601
  547    HE1  PHE  78           HE2      PHE  78   1.851   1.673  -0.343
  548    HE2  PHE  78           HE1      PHE  78   2.516  -0.126   3.500
  549    HZ   PHE  78           HZ       PHE  78   3.376   1.107   1.527
  550    H    LEU  79           HN       LEU  79  -3.456  -3.200   0.966
  551    HA   LEU  79           HA       LEU  79  -1.109  -4.902   1.282
  552   1HB   LEU  79           HB2      LEU  79  -3.267  -5.216   2.542
  553   2HB   LEU  79           HB1      LEU  79  -4.015  -5.727   1.029
  554    HG   LEU  79           HG       LEU  79  -2.020  -7.404   0.894
  555   1HD1  LEU  79          HD11      LEU  79  -1.392  -6.076   3.289
  556   2HD1  LEU  79          HD13      LEU  79  -2.002  -7.653   3.786
  557   3HD1  LEU  79          HD12      LEU  79  -0.641  -7.547   2.671
  558   1HD2  LEU  79          HD21      LEU  79  -4.235  -7.716   2.949
  559   2HD2  LEU  79          HD23      LEU  79  -4.370  -8.063   1.225
  560   3HD2  LEU  79          HD22      LEU  79  -3.311  -9.041   2.241
  561    H    VAL  80           HN       VAL  80  -3.758  -4.685  -1.110
  562    HA   VAL  80           HA       VAL  80  -2.852  -6.756  -2.823
  563    HB   VAL  80           HB       VAL  80  -5.059  -5.748  -3.087
  564   1HG1  VAL  80          HG12      VAL  80  -3.410  -3.277  -3.489
  565   2HG1  VAL  80          HG11      VAL  80  -4.960  -3.406  -4.321
  566   3HG1  VAL  80          HG13      VAL  80  -4.893  -3.492  -2.561
  567   1HG2  VAL  80          HG21      VAL  80  -3.095  -5.842  -5.298
  568   2HG2  VAL  80          HG23      VAL  80  -4.672  -6.620  -5.161
  569   3HG2  VAL  80          HG22      VAL  80  -4.563  -4.928  -5.649
  570    H    MET  81           HN       MET  81  -1.753  -3.441  -2.449
  571    HA   MET  81           HA       MET  81  -0.217  -3.416  -4.921
  572   1HB   MET  81           HB2      MET  81  -1.018  -1.341  -3.771
  573   2HB   MET  81           HB1      MET  81   0.118  -1.673  -2.462
  574   1HG   MET  81           HG2      MET  81   2.005  -1.443  -3.921
  575   2HG   MET  81           HG1      MET  81   0.977  -1.435  -5.354
  576   1HE   MET  81           HE1      MET  81   0.269   0.179  -1.936
  577   2HE   MET  81           HE3      MET  81   2.012   0.434  -2.090
  578   3HE   MET  81           HE2      MET  81   0.912   1.810  -2.095
  579    H    MET  82           HN       MET  82   0.339  -4.468  -1.634
  580    HA   MET  82           HA       MET  82   3.227  -4.525  -1.798
  581   1HB   MET  82           HB2      MET  82   1.219  -5.129   0.154
  582   2HB   MET  82           HB1      MET  82   2.291  -6.523   0.011
  583   1HG   MET  82           HG2      MET  82   3.817  -5.422   1.244
  584   2HG   MET  82           HG1      MET  82   3.954  -4.234  -0.053
  585   1HE   MET  82           HE3      MET  82   4.443  -3.861   3.023
  586   2HE   MET  82           HE2      MET  82   4.669  -2.504   1.922
  587   3HE   MET  82           HE1      MET  82   3.707  -2.294   3.382
  588    H    VAL  83           HN       VAL  83   0.765  -7.122  -2.014
  589    HA   VAL  83           HA       VAL  83   2.553  -9.211  -2.686
  590    HB   VAL  83           HB       VAL  83  -0.316  -8.813  -3.590
  591   1HG1  VAL  83          HG13      VAL  83   1.157 -10.537  -4.820
  592   2HG1  VAL  83          HG12      VAL  83   1.172 -11.425  -3.296
  593   3HG1  VAL  83          HG11      VAL  83  -0.354 -11.124  -4.125
  594   1HG2  VAL  83          HG21      VAL  83   0.136  -8.795  -1.099
  595   2HG2  VAL  83          HG23      VAL  83  -0.907 -10.112  -1.637
  596   3HG2  VAL  83          HG22      VAL  83   0.791 -10.423  -1.270
  597    H    ARG  84           HN       ARG  84   1.123  -6.683  -4.692
  598    HA   ARG  84           HA       ARG  84   1.570  -7.665  -7.266
  599   1HB   ARG  84           HB2      ARG  84   1.749  -4.922  -6.060
  600   2HB   ARG  84           HB1      ARG  84   2.261  -5.156  -7.733
  601   1HG   ARG  84           HG2      ARG  84  -0.035  -6.453  -7.925
  602   2HG   ARG  84           HG1      ARG  84  -0.465  -5.473  -6.523
  603   1HD   ARG  84           HD2      ARG  84  -1.020  -3.886  -8.049
  604   2HD   ARG  84           HD1      ARG  84   0.719  -3.616  -8.169
  605    HE   ARG  84           HE       ARG  84   0.376  -5.607  -9.984
  606   1HH1  ARG  84          HH11      ARG  84  -2.507  -4.233  -9.647
  607   2HH1  ARG  84          HH12      ARG  84  -2.537  -3.349 -11.136
  608   1HH2  ARG  84          HH21      ARG  84   0.835  -3.818 -11.790
  609   2HH2  ARG  84          HH22      ARG  84  -0.646  -3.113 -12.348
  610    H    GLN  85           HN       GLN  85   3.889  -5.182  -6.399
  611    HA   GLN  85           HA       GLN  85   6.037  -6.772  -7.599
  612   1HB   GLN  85           HB2      GLN  85   7.430  -4.783  -7.177
  613   2HB   GLN  85           HB1      GLN  85   5.914  -4.323  -7.953
  614   1HG   GLN  85           HG2      GLN  85   5.190  -4.190  -5.332
  615   2HG   GLN  85           HG1      GLN  85   6.890  -3.731  -5.223
  616   1HE2  GLN  85          HE22      GLN  85   4.233  -1.087  -6.686
  617   2HE2  GLN  85          HE21      GLN  85   3.764  -2.553  -5.973
  618    H    MET  86           HN       MET  86   6.021  -8.539  -6.016
  619    HA   MET  86           HA       MET  86   6.446  -8.199  -3.228
  620   1HB   MET  86           HB2      MET  86   6.530 -10.371  -5.147
  621   2HB   MET  86           HB1      MET  86   7.835 -10.526  -3.970
  622   1HG   MET  86           HG2      MET  86   6.250 -10.352  -2.127
  623   2HG   MET  86           HG1      MET  86   4.927 -10.058  -3.254
  624   1HE   MET  86           HE3      MET  86   5.820 -12.329  -0.904
  625   2HE   MET  86           HE2      MET  86   4.146 -12.135  -1.418
  626   3HE   MET  86           HE1      MET  86   4.897 -13.727  -1.470
  627    H    LYS  87           HN       LYS  87   8.364  -8.141  -1.988
  628    HA   LYS  87           HA       LYS  87  10.613  -6.814  -3.248
  629   1HB   LYS  87           HB2      LYS  87  10.593  -8.072  -0.496
  630   2HB   LYS  87           HB1      LYS  87  11.559  -6.705  -1.057
  631   1HG   LYS  87           HG2      LYS  87   9.937  -5.318  -0.347
  632   2HG   LYS  87           HG1      LYS  87   8.854  -6.025  -1.547
  633   1HD   LYS  87           HD2      LYS  87   7.691  -6.416   0.444
  634   2HD   LYS  87           HD1      LYS  87   8.565  -7.933   0.226
  635   1HE   LYS  87           HE2      LYS  87   9.766  -7.609   2.107
  636   2HE   LYS  87           HE1      LYS  87  10.188  -5.965   1.627
  637   1HZ   LYS  87           HZ3      LYS  87   7.553  -5.792   2.255
  638   2HZ   LYS  87           HZ2      LYS  87   8.145  -6.877   3.420
  639   3HZ   LYS  87           HZ1      LYS  87   8.839  -5.334   3.262
  640    H    GLU  88           HN       GLU  88   9.702 -10.070  -2.933
  641    HA   GLU  88           HA       GLU  88  12.404 -11.179  -2.804
  642   1HB   GLU  88           HB2      GLU  88   9.932 -12.642  -3.736
  643   2HB   GLU  88           HB1      GLU  88  11.362 -13.306  -2.947
  644   1HG   GLU  88           HG2      GLU  88  10.719 -11.757  -0.963
  645   2HG   GLU  88           HG1      GLU  88   9.136 -11.673  -1.738
  646    H    ASP  89           HN       ASP  89  10.588  -9.682  -5.206
  647    HA   ASP  89           HA       ASP  89  11.179  -9.314  -7.461
  648   1HB   ASP  89           HB2      ASP  89  13.140 -11.599  -7.305
  649   2HB   ASP  89           HB1      ASP  89  13.189 -10.174  -8.342
  650    H    ALA  90           HN       ALA  90  11.760 -12.828  -7.097
  651    HA   ALA  90           HA       ALA  90  10.668 -14.638  -8.114
  652   1HB   ALA  90           HB1      ALA  90   8.597 -12.806  -7.138
  653   2HB   ALA  90           HB3      ALA  90   8.050 -13.805  -8.483
  654   3HB   ALA  90           HB2      ALA  90   8.684 -14.563  -7.022
   
  No H/Q in entry =         654
  Start of MODEL   19
    1   1H    ALA   1           HT1      ALA   1 -13.858  -6.209 -14.226
    2   2H    ALA   1           HT3      ALA   1 -12.949  -7.569 -13.776
    3   3H    ALA   1           HT2      ALA   1 -14.516  -7.765 -14.400
    4    HA   ALA   1           HA       ALA   1 -15.544  -7.090 -12.484
    5   1HB   ALA   1           HB3      ALA   1 -14.047  -9.173 -12.211
    6   2HB   ALA   1           HB2      ALA   1 -12.954  -8.117 -11.316
    7   3HB   ALA   1           HB1      ALA   1 -14.596  -8.383 -10.733
    8    H    SER   2           HN       SER   2 -15.605  -5.712 -10.607
    9    HA   SER   2           HA       SER   2 -14.203  -3.234 -10.902
   10   1HB   SER   2           HB2      SER   2 -15.330  -4.031  -8.247
   11   2HB   SER   2           HB1      SER   2 -15.459  -2.496  -9.101
   12    HG   SER   2           HG       SER   2 -17.422  -3.673  -9.139
   13    H    MET   3           HN       MET   3 -13.629  -3.006  -7.923
   14    HA   MET   3           HA       MET   3 -11.058  -4.535  -7.928
   15   1HB   MET   3           HB2      MET   3 -10.149  -2.569  -6.598
   16   2HB   MET   3           HB1      MET   3 -10.511  -2.223  -8.290
   17   1HG   MET   3           HG2      MET   3 -12.290  -0.870  -7.775
   18   2HG   MET   3           HG1      MET   3 -12.728  -1.813  -6.350
   19   1HE   MET   3           HE2      MET   3 -10.225  -2.146  -4.734
   20   2HE   MET   3           HE1      MET   3 -10.261  -0.754  -3.653
   21   3HE   MET   3           HE3      MET   3 -11.758  -1.606  -4.054
   22    H    THR   4           HN       THR   4 -13.765  -5.084  -6.686
   23    HA   THR   4           HA       THR   4 -13.364  -4.712  -3.814
   24    HB   THR   4           HB       THR   4 -15.379  -6.258  -5.459
   25    HG1  THR   4           HG1      THR   4 -16.010  -4.289  -3.606
   26   1HG2  THR   4          HG23      THR   4 -14.800  -6.330  -2.530
   27   2HG2  THR   4          HG22      THR   4 -16.489  -6.326  -3.038
   28   3HG2  THR   4          HG21      THR   4 -15.407  -7.606  -3.585
   29    H    ASP   5           HN       ASP   5 -14.141  -7.833  -5.309
   30    HA   ASP   5           HA       ASP   5 -12.656  -9.366  -3.457
   31   1HB   ASP   5           HB2      ASP   5 -14.355  -9.995  -5.460
   32   2HB   ASP   5           HB1      ASP   5 -12.827 -10.398  -6.244
   33    H    GLN   6           HN       GLN   6 -11.583  -7.451  -6.107
   34    HA   GLN   6           HA       GLN   6  -9.269  -8.641  -7.037
   35   1HB   GLN   6           HB2      GLN   6 -10.271  -6.179  -7.312
   36   2HB   GLN   6           HB1      GLN   6  -9.015  -5.803  -6.132
   37   1HG   GLN   6           HG2      GLN   6  -7.317  -6.827  -7.583
   38   2HG   GLN   6           HG1      GLN   6  -8.564  -7.260  -8.753
   39   1HE2  GLN   6          HE22      GLN   6  -7.536  -3.290  -8.377
   40   2HE2  GLN   6          HE21      GLN   6  -7.300  -4.332  -7.058
   41    H    GLN   7           HN       GLN   7  -9.767  -7.169  -3.853
   42    HA   GLN   7           HA       GLN   7  -6.960  -7.622  -3.095
   43   1HB   GLN   7           HB2      GLN   7  -7.823  -6.844  -0.819
   44   2HB   GLN   7           HB1      GLN   7  -7.956  -5.673  -2.131
   45   1HG   GLN   7           HG2      GLN   7 -10.259  -5.891  -2.279
   46   2HG   GLN   7           HG1      GLN   7 -10.248  -7.538  -1.649
   47   1HE2  GLN   7          HE22      GLN   7 -11.519  -5.265   1.046
   48   2HE2  GLN   7          HE21      GLN   7 -12.027  -5.639  -0.530
   49    H    ALA   8           HN       ALA   8 -10.108  -9.136  -2.601
   50    HA   ALA   8           HA       ALA   8  -9.522 -10.874  -0.472
   51   1HB   ALA   8           HB2      ALA   8 -11.291 -11.094  -2.890
   52   2HB   ALA   8           HB1      ALA   8 -11.084 -12.496  -1.840
   53   3HB   ALA   8           HB3      ALA   8 -11.741 -10.994  -1.188
   54    H    GLU   9           HN       GLU   9  -8.539 -11.044  -3.847
   55    HA   GLU   9           HA       GLU   9  -7.500 -13.748  -3.694
   56   1HB   GLU   9           HB2      GLU   9  -8.045 -12.031  -5.750
   57   2HB   GLU   9           HB1      GLU   9  -6.290 -11.897  -5.657
   58   1HG   GLU   9           HG2      GLU   9  -6.339 -14.506  -5.545
   59   2HG   GLU   9           HG1      GLU   9  -7.966 -14.335  -6.206
   60    H    ALA  10           HN       ALA  10  -6.159 -10.514  -3.183
   61    HA   ALA  10           HA       ALA  10  -3.407 -11.331  -3.036
   62   1HB   ALA  10           HB1      ALA  10  -4.563  -8.929  -3.151
   63   2HB   ALA  10           HB3      ALA  10  -4.387  -9.031  -1.400
   64   3HB   ALA  10           HB2      ALA  10  -2.964  -9.144  -2.437
   65    H    ARG  11           HN       ARG  11  -5.770 -10.607  -0.434
   66    HA   ARG  11           HA       ARG  11  -4.197 -11.263   1.778
   67   1HB   ARG  11           HB2      ARG  11  -6.870 -10.706   1.378
   68   2HB   ARG  11           HB1      ARG  11  -6.913 -12.373   1.954
   69   1HG   ARG  11           HG2      ARG  11  -5.912 -11.836   3.997
   70   2HG   ARG  11           HG1      ARG  11  -5.190 -10.355   3.365
   71   1HD   ARG  11           HD2      ARG  11  -6.980  -9.577   4.693
   72   2HD   ARG  11           HD1      ARG  11  -7.629  -9.540   3.054
   73    HE   ARG  11           HE       ARG  11  -9.186 -11.165   3.733
   74   1HH1  ARG  11          HH21      ARG  11  -8.030 -13.565   4.265
   75   2HH1  ARG  11          HH22      ARG  11  -7.929 -13.732   5.986
   76   1HH2  ARG  11          HH11      ARG  11  -8.350 -10.346   6.606
   77   2HH2  ARG  11          HH12      ARG  11  -8.106 -11.908   7.312
   78    H    ALA  12           HN       ALA  12  -5.941 -13.466  -0.396
   79    HA   ALA  12           HA       ALA  12  -5.733 -15.896   0.899
   80   1HB   ALA  12           HB3      ALA  12  -6.213 -15.114  -1.709
   81   2HB   ALA  12           HB2      ALA  12  -4.742 -16.075  -1.859
   82   3HB   ALA  12           HB1      ALA  12  -6.187 -16.783  -1.138
   83    H    PHE  13           HN       PHE  13  -3.123 -14.311  -0.955
   84    HA   PHE  13           HA       PHE  13  -1.178 -16.347  -0.188
   85   1HB   PHE  13           HB2      PHE  13  -0.376 -13.630  -1.173
   86   2HB   PHE  13           HB1      PHE  13   0.320 -15.205  -1.555
   87    HD1  PHE  13           HD1      PHE  13  -1.270 -16.878  -2.820
   88    HD2  PHE  13           HD2      PHE  13  -1.821 -12.621  -2.707
   89    HE1  PHE  13           HE1      PHE  13  -2.674 -17.007  -4.859
   90    HE2  PHE  13           HE2      PHE  13  -3.225 -12.749  -4.747
   91    HZ   PHE  13           HZ       PHE  13  -3.652 -14.941  -5.824
   92    H    LEU  14           HN       LEU  14  -2.026 -13.070   0.868
   93    HA   LEU  14           HA       LEU  14   0.145 -13.019   2.841
   94   1HB   LEU  14           HB2      LEU  14  -2.187 -11.123   2.879
   95   2HB   LEU  14           HB1      LEU  14  -0.497 -10.814   3.274
   96    HG   LEU  14           HG       LEU  14  -1.668 -11.270   0.517
   97   1HD1  LEU  14          HD11      LEU  14  -1.834  -8.985   1.682
   98   2HD1  LEU  14          HD13      LEU  14  -0.077  -8.915   1.545
   99   3HD1  LEU  14          HD12      LEU  14  -1.072  -9.007   0.092
  100   1HD2  LEU  14          HD21      LEU  14   1.172 -11.220   1.532
  101   2HD2  LEU  14          HD23      LEU  14   0.424 -12.352   0.405
  102   3HD2  LEU  14          HD22      LEU  14   0.800 -10.710  -0.115
  103    H    SER  15           HN       SER  15  -0.676 -15.122   3.815
  104    HA   SER  15           HA       SER  15  -3.096 -15.542   5.101
  105   1HB   SER  15           HB2      SER  15  -0.276 -16.263   5.861
  106   2HB   SER  15           HB1      SER  15  -1.607 -16.670   6.938
  107    HG   SER  15           HG       SER  15  -1.637 -17.283   4.176
  108    H    GLU  16           HN       GLU  16  -3.600 -15.298   7.494
  109    HA   GLU  16           HA       GLU  16  -3.741 -12.630   8.297
  110   1HB   GLU  16           HB2      GLU  16  -4.369 -15.143   9.446
  111   2HB   GLU  16           HB1      GLU  16  -3.407 -14.276  10.642
  112   1HG   GLU  16           HG2      GLU  16  -5.037 -12.274   9.815
  113   2HG   GLU  16           HG1      GLU  16  -6.108 -13.657   9.582
  114    H    GLU  17           HN       GLU  17  -1.015 -14.785   8.473
  115    HA   GLU  17           HA       GLU  17   0.445 -13.231  10.458
  116   1HB   GLU  17           HB2      GLU  17   1.311 -15.367   8.488
  117   2HB   GLU  17           HB1      GLU  17   2.392 -14.637   9.674
  118   1HG   GLU  17           HG2      GLU  17   1.625 -16.045  11.250
  119   2HG   GLU  17           HG1      GLU  17  -0.007 -15.412  11.023
  120    H    MET  18           HN       MET  18   0.547 -13.519   6.900
  121    HA   MET  18           HA       MET  18   2.714 -11.826   6.362
  122   1HB   MET  18           HB2      MET  18   0.163 -12.440   4.915
  123   2HB   MET  18           HB1      MET  18   1.191 -11.141   4.307
  124   1HG   MET  18           HG2      MET  18   2.755 -13.494   5.002
  125   2HG   MET  18           HG1      MET  18   1.512 -13.876   3.811
  126   1HE   MET  18           HE2      MET  18   4.642 -13.983   3.634
  127   2HE   MET  18           HE1      MET  18   3.726 -14.472   2.211
  128   3HE   MET  18           HE3      MET  18   5.057 -13.317   2.058
  129    H    ILE  19           HN       ILE  19  -0.645 -10.944   7.108
  130    HA   ILE  19           HA       ILE  19  -0.147  -8.090   6.786
  131    HB   ILE  19           HB       ILE  19  -2.420  -9.529   8.187
  132   1HG1  ILE  19          HG12      ILE  19  -3.392  -8.565   5.811
  133   2HG1  ILE  19          HG11      ILE  19  -1.753  -9.031   5.354
  134   1HG2  ILE  19          HG21      ILE  19  -1.711  -6.784   8.080
  135   2HG2  ILE  19          HG23      ILE  19  -3.088  -6.995   6.998
  136   3HG2  ILE  19          HG22      ILE  19  -3.210  -7.484   8.689
  137   1HD1  ILE  19          HD12      ILE  19  -3.359 -10.930   7.021
  138   2HD1  ILE  19          HD11      ILE  19  -3.724 -10.806   5.300
  139   3HD1  ILE  19          HD13      ILE  19  -2.107 -11.272   5.826
  140    H    ALA  20           HN       ALA  20   0.036 -10.418   9.390
  141    HA   ALA  20           HA       ALA  20   0.129  -8.431  11.516
  142   1HB   ALA  20           HB1      ALA  20  -0.278 -11.135  11.456
  143   2HB   ALA  20           HB3      ALA  20   1.397 -11.054  12.001
  144   3HB   ALA  20           HB2      ALA  20   0.132 -10.229  12.912
  145    H    GLU  21           HN       GLU  21   2.344  -9.507   9.163
  146    HA   GLU  21           HA       GLU  21   4.724  -8.932  10.814
  147   1HB   GLU  21           HB2      GLU  21   4.205 -10.490   8.500
  148   2HB   GLU  21           HB1      GLU  21   5.315  -9.211   8.010
  149   1HG   GLU  21           HG2      GLU  21   7.019 -10.022   9.286
  150   2HG   GLU  21           HG1      GLU  21   5.942 -10.481  10.606
  151    H    PHE  22           HN       PHE  22   3.334  -7.692   7.751
  152    HA   PHE  22           HA       PHE  22   5.036  -5.358   7.722
  153   1HB   PHE  22           HB2      PHE  22   2.449  -6.015   6.286
  154   2HB   PHE  22           HB1      PHE  22   3.372  -4.540   5.995
  155    HD1  PHE  22           HD2      PHE  22   6.009  -4.990   5.662
  156    HD2  PHE  22           HD1      PHE  22   2.876  -7.821   4.885
  157    HE1  PHE  22           HE2      PHE  22   7.511  -6.230   4.126
  158    HE2  PHE  22           HE1      PHE  22   4.376  -9.061   3.348
  159    HZ   PHE  22           HZ       PHE  22   6.694  -8.266   2.969
  160    H    LYS  23           HN       LYS  23   2.350  -6.181   9.610
  161    HA   LYS  23           HA       LYS  23   0.930  -3.748   9.853
  162   1HB   LYS  23           HB2      LYS  23   1.262  -6.188  11.429
  163   2HB   LYS  23           HB1      LYS  23   1.015  -4.766  12.442
  164   1HG   LYS  23           HG2      LYS  23  -0.757  -4.737  10.138
  165   2HG   LYS  23           HG1      LYS  23  -0.969  -6.206  11.091
  166   1HD   LYS  23           HD2      LYS  23  -0.705  -4.069  12.939
  167   2HD   LYS  23           HD1      LYS  23  -1.845  -3.535  11.703
  168   1HE   LYS  23           HE2      LYS  23  -2.026  -6.213  13.108
  169   2HE   LYS  23           HE1      LYS  23  -2.915  -4.778  13.618
  170   1HZ   LYS  23           HZ3      LYS  23  -3.451  -4.868  10.990
  171   2HZ   LYS  23           HZ2      LYS  23  -3.362  -6.522  11.363
  172   3HZ   LYS  23           HZ1      LYS  23  -4.452  -5.518  12.193
  173    H    ALA  24           HN       ALA  24   4.081  -4.671  11.072
  174    HA   ALA  24           HA       ALA  24   4.333  -2.564  13.020
  175   1HB   ALA  24           HB1      ALA  24   5.942  -4.701  12.022
  176   2HB   ALA  24           HB3      ALA  24   6.886  -3.216  11.908
  177   3HB   ALA  24           HB2      ALA  24   6.214  -3.716  13.460
  178    H    ALA  25           HN       ALA  25   5.169  -2.808   9.572
  179    HA   ALA  25           HA       ALA  25   6.399  -0.186   9.465
  180   1HB   ALA  25           HB3      ALA  25   6.571  -2.233   7.805
  181   2HB   ALA  25           HB2      ALA  25   5.161  -1.482   7.057
  182   3HB   ALA  25           HB1      ALA  25   6.674  -0.584   7.186
  183    H    PHE  26           HN       PHE  26   3.128  -1.421   9.057
  184    HA   PHE  26           HA       PHE  26   2.091   1.065   7.944
  185   1HB   PHE  26           HB2      PHE  26   1.142  -1.557   8.222
  186   2HB   PHE  26           HB1      PHE  26   0.100  -0.591   9.269
  187    HD1  PHE  26           HD1      PHE  26   0.278   2.032   7.769
  188    HD2  PHE  26           HD2      PHE  26  -0.349  -1.992   6.403
  189    HE1  PHE  26           HE1      PHE  26  -0.925   2.895   5.779
  190    HE2  PHE  26           HE2      PHE  26  -1.552  -1.129   4.414
  191    HZ   PHE  26           HZ       PHE  26  -1.840   1.315   4.102
  192    H    ASP  27           HN       ASP  27   2.726  -0.170  11.127
  193    HA   ASP  27           HA       ASP  27   0.895   1.635  12.502
  194   1HB   ASP  27           HB2      ASP  27   1.594  -0.464  13.562
  195   2HB   ASP  27           HB1      ASP  27   3.278   0.062  13.526
  196    H    MET  28           HN       MET  28   4.125   1.833  11.236
  197    HA   MET  28           HA       MET  28   5.012   4.036  12.892
  198   1HB   MET  28           HB2      MET  28   6.217   2.363  11.054
  199   2HB   MET  28           HB1      MET  28   6.159   3.902  10.193
  200   1HG   MET  28           HG2      MET  28   6.959   4.750  12.649
  201   2HG   MET  28           HG1      MET  28   7.697   3.148  12.610
  202   1HE   MET  28           HE1      MET  28   9.618   2.619  11.848
  203   2HE   MET  28           HE3      MET  28  10.771   3.559  10.891
  204   3HE   MET  28           HE2      MET  28  10.324   4.093  12.509
  205    H    PHE  29           HN       PHE  29   3.006   3.759  10.066
  206    HA   PHE  29           HA       PHE  29   3.249   6.615   9.392
  207   1HB   PHE  29           HB2      PHE  29   1.129   4.770   8.311
  208   2HB   PHE  29           HB1      PHE  29   1.923   6.130   7.516
  209    HD1  PHE  29           HD2      PHE  29   4.770   5.410   8.433
  210    HD2  PHE  29           HD1      PHE  29   1.632   3.096   6.633
  211    HE1  PHE  29           HE2      PHE  29   6.459   3.867   7.474
  212    HE2  PHE  29           HE1      PHE  29   3.320   1.552   5.674
  213    HZ   PHE  29           HZ       PHE  29   5.734   1.938   6.095
  214    H    ASP  30           HN       ASP  30   0.390   4.577  10.071
  215    HA   ASP  30           HA       ASP  30  -1.233   6.786  10.893
  216   1HB   ASP  30           HB2      ASP  30  -2.699   4.986  11.886
  217   2HB   ASP  30           HB1      ASP  30  -2.284   4.725  10.191
  218    H    ALA  31           HN       ALA  31  -1.852   7.425  13.031
  219    HA   ALA  31           HA       ALA  31  -0.143   6.370  15.235
  220   1HB   ALA  31           HB3      ALA  31   0.532   8.691  14.112
  221   2HB   ALA  31           HB2      ALA  31  -0.749   9.299  15.160
  222   3HB   ALA  31           HB1      ALA  31   0.637   8.459  15.856
  223    H    ASP  32           HN       ASP  32  -2.914   8.495  14.454
  224    HA   ASP  32           HA       ASP  32  -4.089   8.159  17.094
  225   1HB   ASP  32           HB2      ASP  32  -4.489  10.160  15.640
  226   2HB   ASP  32           HB1      ASP  32  -5.403   9.129  14.538
  227    H    GLY  33           HN       GLY  33  -4.010   6.274  14.241
  228   1HA   GLY  33           HA2      GLY  33  -4.829   3.944  14.437
  229   2HA   GLY  33           HA1      GLY  33  -6.215   4.574  15.330
  230    H    GLY  34           HN       GLY  34  -4.698   4.520  12.118
  231   1HA   GLY  34           HA2      GLY  34  -7.425   4.939  10.967
  232   2HA   GLY  34           HA1      GLY  34  -6.025   5.777  10.296
  233    H    GLY  35           HN       GLY  35  -4.110   3.771  10.307
  234   1HA   GLY  35           HA2      GLY  35  -3.488   1.728   9.281
  235   2HA   GLY  35           HA1      GLY  35  -5.199   1.342   9.093
  236    H    ASP  36           HN       ASP  36  -3.224   4.088   7.915
  237    HA   ASP  36           HA       ASP  36  -3.451   3.189   5.149
  238   1HB   ASP  36           HB2      ASP  36  -4.678   5.415   4.545
  239   2HB   ASP  36           HB1      ASP  36  -5.634   4.056   5.138
  240    H    ILE  37           HN       ILE  37  -2.934   5.503   3.799
  241    HA   ILE  37           HA       ILE  37  -1.010   7.189   5.181
  242    HB   ILE  37           HB       ILE  37   0.833   6.344   3.467
  243   1HG1  ILE  37          HG12      ILE  37  -0.096   3.631   4.042
  244   2HG1  ILE  37          HG11      ILE  37  -1.197   4.501   2.974
  245   1HG2  ILE  37          HG21      ILE  37   0.480   6.163   6.155
  246   2HG2  ILE  37          HG23      ILE  37   0.528   4.453   5.728
  247   3HG2  ILE  37          HG22      ILE  37   1.882   5.504   5.313
  248   1HD1  ILE  37          HD12      ILE  37   1.744   4.667   2.436
  249   2HD1  ILE  37          HD11      ILE  37   0.886   3.193   1.984
  250   3HD1  ILE  37          HD13      ILE  37   0.394   4.744   1.304
  251    H    SER  38           HN       SER  38  -0.621   9.047   3.973
  252    HA   SER  38           HA       SER  38  -2.148   9.275   1.450
  253   1HB   SER  38           HB2      SER  38  -0.656  11.638   2.333
  254   2HB   SER  38           HB1      SER  38  -2.374  11.461   1.987
  255    HG   SER  38           HG       SER  38  -2.730  10.827   4.029
  256    H    THR  39           HN       THR  39  -0.817  11.013  -0.082
  257    HA   THR  39           HA       THR  39   1.354   9.446  -1.163
  258    HB   THR  39           HB       THR  39   1.364  10.968  -2.919
  259    HG1  THR  39           HG1      THR  39   0.505  13.214  -2.331
  260   1HG2  THR  39          HG23      THR  39  -1.122  10.341  -1.857
  261   2HG2  THR  39          HG22      THR  39  -1.219  12.081  -2.130
  262   3HG2  THR  39          HG21      THR  39  -0.823  11.000  -3.465
  263    H    LYS  40           HN       LYS  40   1.232  11.527   1.468
  264    HA   LYS  40           HA       LYS  40   3.971  12.575   1.123
  265   1HB   LYS  40           HB2      LYS  40   1.850  13.709   2.282
  266   2HB   LYS  40           HB1      LYS  40   2.478  12.856   3.693
  267   1HG   LYS  40           HG2      LYS  40   4.094  14.724   1.934
  268   2HG   LYS  40           HG1      LYS  40   3.414  15.151   3.505
  269   1HD   LYS  40           HD2      LYS  40   4.741  12.818   4.088
  270   2HD   LYS  40           HD1      LYS  40   5.795  13.537   2.869
  271   1HE   LYS  40           HE2      LYS  40   4.767  15.386   4.952
  272   2HE   LYS  40           HE1      LYS  40   5.932  14.178   5.496
  273   1HZ   LYS  40           HZ3      LYS  40   6.803  15.246   3.052
  274   2HZ   LYS  40           HZ2      LYS  40   6.430  16.536   4.093
  275   3HZ   LYS  40           HZ1      LYS  40   7.548  15.348   4.571
  276    H    GLU  41           HN       GLU  41   2.223  10.383   3.345
  277    HA   GLU  41           HA       GLU  41   4.775   9.594   4.597
  278   1HB   GLU  41           HB2      GLU  41   1.944   8.610   5.064
  279   2HB   GLU  41           HB1      GLU  41   3.349   8.179   6.040
  280   1HG   GLU  41           HG2      GLU  41   2.909  11.084   5.636
  281   2HG   GLU  41           HG1      GLU  41   1.710  10.259   6.634
  282    H    LEU  42           HN       LEU  42   2.920   8.618   1.919
  283    HA   LEU  42           HA       LEU  42   3.597   5.774   2.085
  284   1HB   LEU  42           HB2      LEU  42   1.590   6.206   0.904
  285   2HB   LEU  42           HB1      LEU  42   2.314   7.522  -0.019
  286    HG   LEU  42           HG       LEU  42   3.493   4.783  -0.292
  287   1HD1  LEU  42          HD11      LEU  42   0.909   4.707  -0.491
  288   2HD1  LEU  42          HD13      LEU  42   1.138   5.640  -1.970
  289   3HD1  LEU  42          HD12      LEU  42   1.855   4.036  -1.819
  290   1HD2  LEU  42          HD22      LEU  42   3.310   7.339  -1.821
  291   2HD2  LEU  42          HD21      LEU  42   4.684   6.257  -1.609
  292   3HD2  LEU  42          HD23      LEU  42   3.410   5.848  -2.757
  293    H    GLY  43           HN       GLY  43   5.169   8.638   0.994
  294   1HA   GLY  43           HA2      GLY  43   7.070   6.994  -0.621
  295   2HA   GLY  43           HA1      GLY  43   6.844   8.731  -0.816
  296    H    THR  44           HN       THR  44   6.842   9.268   2.078
  297    HA   THR  44           HA       THR  44   9.716   9.495   2.406
  298    HB   THR  44           HB       THR  44   9.023  10.390   4.710
  299    HG1  THR  44           HG1      THR  44   7.066   9.743   5.155
  300   1HG2  THR  44          HG22      THR  44   9.452  11.794   2.687
  301   2HG2  THR  44          HG21      THR  44   7.743  11.662   2.277
  302   3HG2  THR  44          HG23      THR  44   8.232  12.485   3.757
  303    H    VAL  45           HN       VAL  45   7.616   6.935   2.958
  304    HA   VAL  45           HA       VAL  45   8.722   5.943   5.434
  305    HB   VAL  45           HB       VAL  45   6.643   4.987   4.897
  306   1HG1  VAL  45          HG12      VAL  45   7.531   5.326   2.187
  307   2HG1  VAL  45          HG11      VAL  45   6.992   3.663   2.404
  308   3HG1  VAL  45          HG13      VAL  45   5.904   4.998   2.777
  309   1HG2  VAL  45          HG23      VAL  45   8.742   2.984   4.007
  310   2HG2  VAL  45          HG22      VAL  45   8.218   3.272   5.666
  311   3HG2  VAL  45          HG21      VAL  45   7.097   2.578   4.495
  312    H    MET  46           HN       MET  46   9.148   4.531   2.157
  313    HA   MET  46           HA       MET  46  11.798   3.537   3.003
  314   1HB   MET  46           HB2      MET  46  11.760   2.295   0.892
  315   2HB   MET  46           HB1      MET  46  10.242   2.045   1.754
  316   1HG   MET  46           HG2      MET  46  10.273   4.369  -0.073
  317   2HG   MET  46           HG1      MET  46  10.390   2.797  -0.862
  318   1HE   MET  46           HE3      MET  46   9.192   1.053  -0.691
  319   2HE   MET  46           HE2      MET  46   7.661   0.748   0.125
  320   3HE   MET  46           HE1      MET  46   7.669   1.534  -1.452
  321    H    ARG  47           HN       ARG  47  10.356   6.038   1.061
  322    HA   ARG  47           HA       ARG  47  12.934   6.664  -0.233
  323   1HB   ARG  47           HB2      ARG  47  10.254   7.061  -0.956
  324   2HB   ARG  47           HB1      ARG  47  10.868   8.673  -0.584
  325   1HG   ARG  47           HG2      ARG  47  11.243   8.062  -2.966
  326   2HG   ARG  47           HG1      ARG  47  12.758   8.335  -2.104
  327   1HD   ARG  47           HD2      ARG  47  13.395   6.155  -2.266
  328   2HD   ARG  47           HD1      ARG  47  11.756   5.556  -2.011
  329    HE   ARG  47           HE       ARG  47  12.514   6.744  -4.641
  330   1HH1  ARG  47          HH11      ARG  47   9.802   5.656  -4.405
  331   2HH1  ARG  47          HH12      ARG  47   9.976   4.026  -4.963
  332   1HH2  ARG  47          HH21      ARG  47  13.426   3.993  -4.616
  333   2HH2  ARG  47          HH22      ARG  47  12.027   3.085  -5.083
  334    H    MET  48           HN       MET  48  12.593   6.843   2.705
  335    HA   MET  48           HA       MET  48  12.239   9.443   3.691
  336   1HB   MET  48           HB2      MET  48  13.276   7.016   4.669
  337   2HB   MET  48           HB1      MET  48  14.554   8.205   4.918
  338   1HG   MET  48           HG2      MET  48  11.671   8.488   5.811
  339   2HG   MET  48           HG1      MET  48  13.050   8.157   6.859
  340   1HE   MET  48           HE3      MET  48  10.689  10.600   6.373
  341   2HE   MET  48           HE2      MET  48  11.367  12.072   5.681
  342   3HE   MET  48           HE1      MET  48  11.141  10.652   4.663
  343    H    LEU  49           HN       LEU  49  14.714   8.234   1.612
  344    HA   LEU  49           HA       LEU  49  16.949   9.771   2.088
  345   1HB   LEU  49           HB2      LEU  49  15.755   9.603  -0.685
  346   2HB   LEU  49           HB1      LEU  49  17.456   9.663  -0.243
  347    HG   LEU  49           HG       LEU  49  17.303   7.404  -0.614
  348   1HD1  LEU  49          HD11      LEU  49  17.329   7.974   2.054
  349   2HD1  LEU  49          HD13      LEU  49  15.930   6.906   1.958
  350   3HD1  LEU  49          HD12      LEU  49  17.503   6.353   1.392
  351   1HD2  LEU  49          HD21      LEU  49  14.446   7.967  -0.384
  352   2HD2  LEU  49          HD23      LEU  49  15.280   6.791  -1.398
  353   3HD2  LEU  49          HD22      LEU  49  14.876   6.388   0.270
  354    H    GLY  50           HN       GLY  50  14.169  10.919   0.121
  355   1HA   GLY  50           HA2      GLY  50  13.209  13.141   0.520
  356   2HA   GLY  50           HA1      GLY  50  14.783  13.665   1.116
  357    H    GLN  51           HN       GLN  51  14.383  11.749  -1.811
  358    HA   GLN  51           HA       GLN  51  14.957  14.177  -3.451
  359   1HB   GLN  51           HB2      GLN  51  16.629  12.870  -4.735
  360   2HB   GLN  51           HB1      GLN  51  17.097  13.023  -3.040
  361   1HG   GLN  51           HG2      GLN  51  16.024  10.787  -2.614
  362   2HG   GLN  51           HG1      GLN  51  15.784  10.629  -4.354
  363   1HE2  GLN  51          HE22      GLN  51  18.980   8.940  -3.876
  364   2HE2  GLN  51          HE21      GLN  51  17.318   8.644  -3.700
  365    H    ASN  52           HN       ASN  52  14.111  10.715  -3.510
  366    HA   ASN  52           HA       ASN  52  12.885  10.909  -6.136
  367   1HB   ASN  52           HB2      ASN  52  13.653   8.820  -4.311
  368   2HB   ASN  52           HB1      ASN  52  11.999   8.559  -4.869
  369   1HD2  ASN  52          HD22      ASN  52  14.570   7.192  -7.344
  370   2HD2  ASN  52          HD21      ASN  52  14.456   7.035  -5.657
  371    HA   PRO  53           HA       PRO  53   8.917  10.704  -3.505
  372   1HB   PRO  53           HB2      PRO  53   9.070  11.842  -1.019
  373   2HB   PRO  53           HB1      PRO  53   9.321  10.118  -1.332
  374   1HG   PRO  53           HG2      PRO  53  11.320  12.215  -0.676
  375   2HG   PRO  53           HG1      PRO  53  11.399  10.466  -0.420
  376   1HD   PRO  53           HD2      PRO  53  12.654  11.916  -2.497
  377   2HD   PRO  53           HD1      PRO  53  12.512  10.150  -2.390
  378    H    THR  54           HN       THR  54   7.354  12.322  -3.665
  379    HA   THR  54           HA       THR  54   7.991  15.147  -3.290
  380    HB   THR  54           HB       THR  54   7.164  14.337  -6.072
  381    HG1  THR  54           HG1      THR  54   9.179  13.948  -6.613
  382   1HG2  THR  54          HG23      THR  54   7.037  16.720  -5.141
  383   2HG2  THR  54          HG22      THR  54   8.799  16.698  -5.142
  384   3HG2  THR  54          HG21      THR  54   7.914  16.515  -6.656
  385    H    LYS  55           HN       LYS  55   5.996  16.468  -3.623
  386    HA   LYS  55           HA       LYS  55   3.675  15.234  -2.576
  387   1HB   LYS  55           HB2      LYS  55   4.211  17.727  -2.677
  388   2HB   LYS  55           HB1      LYS  55   3.664  17.682  -4.353
  389   1HG   LYS  55           HG2      LYS  55   1.671  16.342  -2.897
  390   2HG   LYS  55           HG1      LYS  55   2.086  17.754  -1.924
  391   1HD   LYS  55           HD2      LYS  55   1.523  19.259  -3.631
  392   2HD   LYS  55           HD1      LYS  55   1.663  18.029  -4.889
  393   1HE   LYS  55           HE2      LYS  55  -0.723  18.775  -4.111
  394   2HE   LYS  55           HE1      LYS  55  -0.401  17.059  -4.356
  395   1HZ   LYS  55           HZ2      LYS  55  -0.057  18.382  -1.730
  396   2HZ   LYS  55           HZ1      LYS  55  -1.531  17.688  -2.211
  397   3HZ   LYS  55           HZ3      LYS  55  -0.148  16.719  -2.062
  398    H    GLU  56           HN       GLU  56   4.632  15.871  -5.935
  399    HA   GLU  56           HA       GLU  56   2.149  14.613  -6.924
  400   1HB   GLU  56           HB2      GLU  56   2.970  15.244  -9.145
  401   2HB   GLU  56           HB1      GLU  56   3.065  16.628  -8.056
  402   1HG   GLU  56           HG2      GLU  56   5.451  16.187  -7.669
  403   2HG   GLU  56           HG1      GLU  56   5.369  14.765  -8.711
  404    H    GLU  57           HN       GLU  57   5.382  13.707  -6.172
  405    HA   GLU  57           HA       GLU  57   5.697  11.589  -8.093
  406   1HB   GLU  57           HB2      GLU  57   7.545  12.616  -6.709
  407   2HB   GLU  57           HB1      GLU  57   6.918  11.714  -5.331
  408   1HG   GLU  57           HG2      GLU  57   8.208   9.995  -6.014
  409   2HG   GLU  57           HG1      GLU  57   7.079   9.807  -7.354
  410    H    LEU  58           HN       LEU  58   4.521  11.595  -4.711
  411    HA   LEU  58           HA       LEU  58   3.929   8.730  -4.818
  412   1HB   LEU  58           HB2      LEU  58   3.210  10.874  -2.798
  413   2HB   LEU  58           HB1      LEU  58   2.857   9.159  -2.591
  414    HG   LEU  58           HG       LEU  58   4.895   9.450  -1.439
  415   1HD1  LEU  58          HD12      LEU  58   4.845   7.748  -3.495
  416   2HD1  LEU  58          HD11      LEU  58   6.127   8.806  -4.085
  417   3HD1  LEU  58          HD13      LEU  58   6.305   7.984  -2.535
  418   1HD2  LEU  58          HD23      LEU  58   5.192  11.780  -2.525
  419   2HD2  LEU  58          HD22      LEU  58   6.652  10.888  -2.097
  420   3HD2  LEU  58          HD21      LEU  58   6.104  10.931  -3.772
  421    H    ASP  59           HN       ASP  59   2.409  11.470  -6.037
  422    HA   ASP  59           HA       ASP  59  -0.349  10.638  -5.556
  423   1HB   ASP  59           HB2      ASP  59   0.360  13.027  -5.955
  424   2HB   ASP  59           HB1      ASP  59   0.684  12.589  -7.633
  425    H    ALA  60           HN       ALA  60   2.106   9.999  -7.948
  426    HA   ALA  60           HA       ALA  60   0.325   9.109 -10.045
  427   1HB   ALA  60           HB2      ALA  60   3.036   9.577  -9.856
  428   2HB   ALA  60           HB1      ALA  60   2.964   7.816  -9.938
  429   3HB   ALA  60           HB3      ALA  60   2.241   8.789 -11.219
  430    H    ILE  61           HN       ILE  61   2.289   7.319  -7.646
  431    HA   ILE  61           HA       ILE  61   1.171   4.754  -8.334
  432    HB   ILE  61           HB       ILE  61   2.116   5.260  -5.545
  433   1HG1  ILE  61          HG12      ILE  61   4.471   4.880  -6.935
  434   2HG1  ILE  61          HG11      ILE  61   3.600   6.022  -7.961
  435   1HG2  ILE  61          HG23      ILE  61   1.725   3.055  -7.264
  436   2HG2  ILE  61          HG22      ILE  61   3.469   3.208  -7.046
  437   3HG2  ILE  61          HG21      ILE  61   2.416   3.038  -5.642
  438   1HD1  ILE  61          HD12      ILE  61   3.572   6.521  -5.024
  439   2HD1  ILE  61          HD11      ILE  61   5.075   6.845  -5.887
  440   3HD1  ILE  61          HD13      ILE  61   3.590   7.673  -6.358
  441    H    ILE  62           HN       ILE  62   0.165   7.366  -6.242
  442    HA   ILE  62           HA       ILE  62  -1.793   5.809  -4.777
  443    HB   ILE  62           HB       ILE  62  -1.125   8.719  -5.057
  444   1HG1  ILE  62          HG12      ILE  62  -0.075   7.120  -3.387
  445   2HG1  ILE  62          HG11      ILE  62  -0.818   8.555  -2.677
  446   1HG2  ILE  62          HG22      ILE  62  -3.722   7.609  -3.958
  447   2HG2  ILE  62          HG21      ILE  62  -3.094   9.198  -3.519
  448   3HG2  ILE  62          HG23      ILE  62  -3.521   8.852  -5.194
  449   1HD1  ILE  62          HD13      ILE  62  -2.173   5.854  -2.929
  450   2HD1  ILE  62          HD12      ILE  62  -1.433   6.475  -1.453
  451   3HD1  ILE  62          HD11      ILE  62  -2.838   7.286  -2.144
  452    H    GLU  63           HN       GLU  63  -1.691   7.342  -7.880
  453    HA   GLU  63           HA       GLU  63  -4.567   7.631  -8.197
  454   1HB   GLU  63           HB2      GLU  63  -2.960   8.964  -9.528
  455   2HB   GLU  63           HB1      GLU  63  -2.377   7.486 -10.292
  456   1HG   GLU  63           HG2      GLU  63  -4.930   7.129 -10.858
  457   2HG   GLU  63           HG1      GLU  63  -5.014   8.876 -10.628
  458    H    GLU  64           HN       GLU  64  -2.259   5.054  -8.612
  459    HA   GLU  64           HA       GLU  64  -4.110   3.433 -10.230
  460   1HB   GLU  64           HB2      GLU  64  -2.304   1.679  -9.944
  461   2HB   GLU  64           HB1      GLU  64  -1.767   3.166 -10.728
  462   1HG   GLU  64           HG2      GLU  64  -0.713   3.953  -8.740
  463   2HG   GLU  64           HG1      GLU  64  -1.515   2.736  -7.746
  464    H    VAL  65           HN       VAL  65  -4.608   4.321  -7.303
  465    HA   VAL  65           HA       VAL  65  -5.674   1.708  -6.461
  466    HB   VAL  65           HB       VAL  65  -4.684   2.146  -4.103
  467   1HG1  VAL  65          HG13      VAL  65  -4.058   0.299  -5.694
  468   2HG1  VAL  65          HG12      VAL  65  -2.777   1.340  -6.314
  469   3HG1  VAL  65          HG11      VAL  65  -2.745   0.807  -4.633
  470   1HG2  VAL  65          HG21      VAL  65  -3.289   4.157  -5.768
  471   2HG2  VAL  65          HG23      VAL  65  -3.534   4.112  -4.024
  472   3HG2  VAL  65          HG22      VAL  65  -2.231   3.177  -4.755
  473    H    ASP  66           HN       ASP  66  -5.076   4.952  -5.037
  474    HA   ASP  66           HA       ASP  66  -7.701   4.972  -3.793
  475   1HB   ASP  66           HB2      ASP  66  -5.750   6.170  -2.824
  476   2HB   ASP  66           HB1      ASP  66  -5.748   7.255  -4.214
  477    H    GLU  67           HN       GLU  67  -9.077   4.650  -5.667
  478    HA   GLU  67           HA       GLU  67  -9.087   6.662  -7.795
  479   1HB   GLU  67           HB2      GLU  67  -9.735   4.380  -8.346
  480   2HB   GLU  67           HB1      GLU  67 -11.001   4.406  -7.119
  481   1HG   GLU  67           HG2      GLU  67 -12.387   5.118  -8.755
  482   2HG   GLU  67           HG1      GLU  67 -11.540   6.662  -8.653
  483    H    ASP  68           HN       ASP  68 -10.735   6.093  -4.762
  484    HA   ASP  68           HA       ASP  68 -13.078   7.547  -4.965
  485   1HB   ASP  68           HB2      ASP  68 -12.129   6.467  -2.875
  486   2HB   ASP  68           HB1      ASP  68 -11.133   7.909  -2.671
  487    H    GLY  69           HN       GLY  69  -9.783   8.846  -4.778
  488   1HA   GLY  69           HA2      GLY  69  -9.263  10.933  -5.963
  489   2HA   GLY  69           HA1      GLY  69 -10.902  11.483  -5.616
  490    H    SER  70           HN       SER  70  -9.241   9.865  -3.057
  491    HA   SER  70           HA       SER  70  -9.202  12.382  -1.518
  492   1HB   SER  70           HB2      SER  70 -10.044  10.184  -0.570
  493   2HB   SER  70           HB1      SER  70  -8.378   9.614  -0.606
  494    HG   SER  70           HG       SER  70  -9.573  11.117   1.225
  495    H    GLY  71           HN       GLY  71  -6.860   9.740  -2.133
  496   1HA   GLY  71           HA2      GLY  71  -4.637  10.490  -3.094
  497   2HA   GLY  71           HA1      GLY  71  -4.695  11.795  -1.906
  498    H    THR  72           HN       THR  72  -5.891   8.680  -0.960
  499    HA   THR  72           HA       THR  72  -3.316   7.949   0.312
  500    HB   THR  72           HB       THR  72  -4.030   8.946   2.242
  501    HG1  THR  72           HG1      THR  72  -5.989   7.020   2.593
  502   1HG2  THR  72          HG23      THR  72  -5.922  10.066   1.118
  503   2HG2  THR  72          HG22      THR  72  -6.889   8.602   1.293
  504   3HG2  THR  72          HG21      THR  72  -6.382   9.499   2.723
  505    H    ILE  73           HN       ILE  73  -3.641   5.732   1.472
  506    HA   ILE  73           HA       ILE  73  -5.729   4.116   0.090
  507    HB   ILE  73           HB       ILE  73  -3.742   2.342  -0.017
  508   1HG1  ILE  73          HG12      ILE  73  -2.273   4.951  -0.468
  509   2HG1  ILE  73          HG11      ILE  73  -2.191   4.071   1.058
  510   1HG2  ILE  73          HG22      ILE  73  -5.154   3.735  -1.847
  511   2HG2  ILE  73          HG21      ILE  73  -3.552   4.408  -2.150
  512   3HG2  ILE  73          HG23      ILE  73  -3.818   2.671  -2.288
  513   1HD1  ILE  73          HD12      ILE  73  -1.623   2.026  -0.535
  514   2HD1  ILE  73          HD11      ILE  73  -1.110   3.310  -1.630
  515   3HD1  ILE  73          HD13      ILE  73  -0.363   3.156  -0.039
  516    H    ASP  74           HN       ASP  74  -6.257   2.143   1.219
  517    HA   ASP  74           HA       ASP  74  -5.353   2.156   4.071
  518   1HB   ASP  74           HB2      ASP  74  -7.974   1.290   2.817
  519   2HB   ASP  74           HB1      ASP  74  -7.539   0.944   4.493
  520    H    PHE  75           HN       PHE  75  -5.784  -0.231   5.005
  521    HA   PHE  75           HA       PHE  75  -3.852  -1.953   3.983
  522   1HB   PHE  75           HB2      PHE  75  -6.159  -2.225   5.782
  523   2HB   PHE  75           HB1      PHE  75  -5.729  -3.727   4.962
  524    HD1  PHE  75           HD2      PHE  75  -4.386  -0.967   7.067
  525    HD2  PHE  75           HD1      PHE  75  -3.758  -4.933   5.541
  526    HE1  PHE  75           HE2      PHE  75  -2.461  -1.252   8.602
  527    HE2  PHE  75           HE1      PHE  75  -1.832  -5.218   7.075
  528    HZ   PHE  75           HZ       PHE  75  -1.183  -3.379   8.607
  529    H    GLU  76           HN       GLU  76  -7.061  -1.379   2.761
  530    HA   GLU  76           HA       GLU  76  -7.529  -3.742   1.289
  531   1HB   GLU  76           HB2      GLU  76  -8.487  -0.985   1.249
  532   2HB   GLU  76           HB1      GLU  76  -8.431  -1.690  -0.368
  533   1HG   GLU  76           HG2      GLU  76 -10.135  -3.116   0.073
  534   2HG   GLU  76           HG1      GLU  76  -9.490  -3.526   1.663
  535    H    GLU  77           HN       GLU  77  -6.755  -0.870  -0.600
  536    HA   GLU  77           HA       GLU  77  -5.418  -2.337  -2.641
  537   1HB   GLU  77           HB2      GLU  77  -5.058   0.597  -1.958
  538   2HB   GLU  77           HB1      GLU  77  -4.734  -0.167  -3.515
  539   1HG   GLU  77           HG2      GLU  77  -7.462  -0.235  -2.208
  540   2HG   GLU  77           HG1      GLU  77  -6.974   1.045  -3.321
  541    H    PHE  78           HN       PHE  78  -4.106  -0.455   0.090
  542    HA   PHE  78           HA       PHE  78  -1.395  -0.513  -0.413
  543   1HB   PHE  78           HB2      PHE  78  -2.271   0.451   1.638
  544   2HB   PHE  78           HB1      PHE  78  -2.784  -1.137   2.208
  545    HD1  PHE  78           HD2      PHE  78  -0.959  -2.953   2.470
  546    HD2  PHE  78           HD1      PHE  78  -0.110   1.244   2.122
  547    HE1  PHE  78           HE2      PHE  78   1.283  -3.323   3.464
  548    HE2  PHE  78           HE1      PHE  78   2.132   0.874   3.117
  549    HZ   PHE  78           HZ       PHE  78   2.827  -1.410   3.788
  550    H    LEU  79           HN       LEU  79  -3.435  -3.265   0.366
  551    HA   LEU  79           HA       LEU  79  -1.088  -5.033   0.666
  552   1HB   LEU  79           HB2      LEU  79  -4.065  -5.401   0.952
  553   2HB   LEU  79           HB1      LEU  79  -2.987  -6.794   0.865
  554    HG   LEU  79           HG       LEU  79  -2.823  -4.530   2.875
  555   1HD1  LEU  79          HD13      LEU  79  -3.965  -7.278   2.883
  556   2HD1  LEU  79          HD12      LEU  79  -3.066  -6.796   4.321
  557   3HD1  LEU  79          HD11      LEU  79  -4.459  -5.851   3.795
  558   1HD2  LEU  79          HD23      LEU  79  -0.964  -6.727   2.088
  559   2HD2  LEU  79          HD22      LEU  79  -0.602  -5.121   2.723
  560   3HD2  LEU  79          HD21      LEU  79  -1.134  -6.400   3.813
  561    H    VAL  80           HN       VAL  80  -3.668  -4.371  -1.672
  562    HA   VAL  80           HA       VAL  80  -3.003  -6.621  -3.374
  563    HB   VAL  80           HB       VAL  80  -4.620  -5.781  -4.868
  564   1HG1  VAL  80          HG13      VAL  80  -5.395  -6.231  -2.446
  565   2HG1  VAL  80          HG12      VAL  80  -5.517  -4.478  -2.297
  566   3HG1  VAL  80          HG11      VAL  80  -6.494  -5.332  -3.493
  567   1HG2  VAL  80          HG21      VAL  80  -4.032  -3.060  -3.661
  568   2HG2  VAL  80          HG23      VAL  80  -3.687  -3.587  -5.307
  569   3HG2  VAL  80          HG22      VAL  80  -5.356  -3.366  -4.783
  570    H    MET  81           HN       MET  81  -1.459  -3.648  -2.794
  571    HA   MET  81           HA       MET  81  -0.308  -3.432  -5.500
  572   1HB   MET  81           HB2      MET  81  -0.835  -1.433  -4.004
  573   2HB   MET  81           HB1      MET  81   0.546  -1.921  -3.022
  574   1HG   MET  81           HG2      MET  81   1.275  -1.913  -5.819
  575   2HG   MET  81           HG1      MET  81   0.600  -0.350  -5.363
  576   1HE   MET  81           HE1      MET  81   0.856   0.453  -3.138
  577   2HE   MET  81           HE3      MET  81   1.934  -0.244  -1.923
  578   3HE   MET  81           HE2      MET  81   2.437   1.171  -2.845
  579    H    MET  82           HN       MET  82   0.493  -4.839  -2.415
  580    HA   MET  82           HA       MET  82   3.342  -5.110  -3.031
  581   1HB   MET  82           HB2      MET  82   1.639  -5.496  -0.738
  582   2HB   MET  82           HB1      MET  82   2.605  -6.948  -1.006
  583   1HG   MET  82           HG2      MET  82   4.557  -5.896  -0.491
  584   2HG   MET  82           HG1      MET  82   4.085  -4.413  -1.319
  585   1HE   MET  82           HE1      MET  82   5.723  -4.386   1.220
  586   2HE   MET  82           HE3      MET  82   4.894  -4.340   2.782
  587   3HE   MET  82           HE2      MET  82   5.021  -5.856   1.894
  588    H    VAL  83           HN       VAL  83   0.619  -7.424  -2.696
  589    HA   VAL  83           HA       VAL  83   1.885  -9.770  -3.466
  590    HB   VAL  83           HB       VAL  83  -0.839  -8.877  -4.455
  591   1HG1  VAL  83          HG12      VAL  83   0.623 -11.177  -5.028
  592   2HG1  VAL  83          HG11      VAL  83  -0.444 -11.677  -3.716
  593   3HG1  VAL  83          HG13      VAL  83  -1.123 -10.995  -5.194
  594   1HG2  VAL  83          HG23      VAL  83   0.190  -9.744  -1.796
  595   2HG2  VAL  83          HG22      VAL  83  -1.152  -8.668  -2.184
  596   3HG2  VAL  83          HG21      VAL  83  -1.358 -10.416  -2.306
  597    H    ARG  84           HN       ARG  84   0.676  -7.197  -5.615
  598    HA   ARG  84           HA       ARG  84   1.172  -8.419  -8.101
  599   1HB   ARG  84           HB2      ARG  84   1.080  -5.614  -7.112
  600   2HB   ARG  84           HB1      ARG  84   1.864  -5.875  -8.671
  601   1HG   ARG  84           HG2      ARG  84  -0.094  -6.852  -9.609
  602   2HG   ARG  84           HG1      ARG  84  -0.852  -7.034  -8.027
  603   1HD   ARG  84           HD2      ARG  84  -1.900  -5.129  -8.987
  604   2HD   ARG  84           HD1      ARG  84  -0.718  -4.474  -7.853
  605    HE   ARG  84           HE       ARG  84   0.716  -4.538 -10.177
  606   1HH1  ARG  84          HH21      ARG  84  -1.117  -2.277  -8.789
  607   2HH1  ARG  84          HH22      ARG  84  -1.735  -1.545 -10.232
  608   1HH2  ARG  84          HH11      ARG  84  -0.647  -4.097 -12.311
  609   2HH2  ARG  84          HH12      ARG  84  -1.467  -2.574 -12.225
  610    H    GLN  85           HN       GLN  85   3.393  -5.900  -6.924
  611    HA   GLN  85           HA       GLN  85   5.624  -7.288  -8.242
  612   1HB   GLN  85           HB2      GLN  85   5.466  -4.841  -8.398
  613   2HB   GLN  85           HB1      GLN  85   5.535  -4.712  -6.640
  614   1HG   GLN  85           HG2      GLN  85   7.782  -4.886  -6.638
  615   2HG   GLN  85           HG1      GLN  85   7.732  -6.318  -7.668
  616   1HE2  GLN  85          HE22      GLN  85   7.465  -2.875  -9.863
  617   2HE2  GLN  85          HE21      GLN  85   6.358  -3.172  -8.611
  618    H    MET  86           HN       MET  86   6.042  -9.146  -7.008
  619    HA   MET  86           HA       MET  86   6.282  -9.004  -4.101
  620   1HB   MET  86           HB2      MET  86   6.547 -11.103  -6.198
  621   2HB   MET  86           HB1      MET  86   7.438 -11.363  -4.698
  622   1HG   MET  86           HG2      MET  86   5.251 -10.810  -3.483
  623   2HG   MET  86           HG1      MET  86   4.461 -10.980  -5.051
  624   1HE   MET  86           HE1      MET  86   3.114 -12.533  -3.431
  625   2HE   MET  86           HE3      MET  86   3.575 -14.188  -3.009
  626   3HE   MET  86           HE2      MET  86   4.245 -12.827  -2.112
  627    H    LYS  87           HN       LYS  87   8.271  -9.256  -2.923
  628    HA   LYS  87           HA       LYS  87  10.518  -7.863  -4.142
  629   1HB   LYS  87           HB2      LYS  87   9.774  -8.847  -1.458
  630   2HB   LYS  87           HB1      LYS  87  11.505  -8.881  -1.798
  631   1HG   LYS  87           HG2      LYS  87  11.444  -6.513  -2.447
  632   2HG   LYS  87           HG1      LYS  87   9.703  -6.469  -2.167
  633   1HD   LYS  87           HD2      LYS  87  10.087  -7.066   0.212
  634   2HD   LYS  87           HD1      LYS  87  11.827  -7.042  -0.078
  635   1HE   LYS  87           HE2      LYS  87  11.694  -4.672  -0.736
  636   2HE   LYS  87           HE1      LYS  87   9.951  -4.690  -0.468
  637   1HZ   LYS  87           HZ1      LYS  87  11.980  -5.297   1.612
  638   2HZ   LYS  87           HZ3      LYS  87  11.217  -3.794   1.425
  639   3HZ   LYS  87           HZ2      LYS  87  10.301  -5.164   1.839
  640    H    GLU  88           HN       GLU  88   9.553 -11.161  -3.832
  641    HA   GLU  88           HA       GLU  88  12.249 -12.263  -4.093
  642   1HB   GLU  88           HB2      GLU  88  11.111 -14.419  -4.323
  643   2HB   GLU  88           HB1      GLU  88  10.408 -13.517  -2.979
  644   1HG   GLU  88           HG2      GLU  88   8.433 -13.098  -4.109
  645   2HG   GLU  88           HG1      GLU  88   9.204 -13.168  -5.695
  646    H    ASP  89           HN       ASP  89  10.475 -10.516  -6.190
  647    HA   ASP  89           HA       ASP  89  10.478 -10.296  -8.524
  648   1HB   ASP  89           HB2      ASP  89  12.855 -12.175  -8.392
  649   2HB   ASP  89           HB1      ASP  89  12.472 -11.036  -9.683
  650    H    ALA  90           HN       ALA  90   8.567 -11.375  -9.066
  651    HA   ALA  90           HA       ALA  90   8.934 -14.147 -10.082
  652   1HB   ALA  90           HB2      ALA  90   6.990 -13.221  -7.996
  653   2HB   ALA  90           HB1      ALA  90   6.479 -14.469  -9.133
  654   3HB   ALA  90           HB3      ALA  90   7.881 -14.740  -8.098
   
  No H/Q in entry =         654
  Start of MODEL   20
    1   1H    ALA   1           HT3      ALA   1 -12.644  -3.850 -13.401
    2   2H    ALA   1           HT2      ALA   1 -11.223  -4.774 -13.275
    3   3H    ALA   1           HT1      ALA   1 -12.547  -5.363 -14.161
    4    HA   ALA   1           HA       ALA   1 -13.853  -5.646 -12.213
    5   1HB   ALA   1           HB1      ALA   1 -11.209  -6.855 -12.515
    6   2HB   ALA   1           HB3      ALA   1 -11.760  -6.866 -10.838
    7   3HB   ALA   1           HB2      ALA   1 -12.746  -7.613 -12.097
    8    H    SER   2           HN       SER   2 -13.932  -5.502  -9.815
    9    HA   SER   2           HA       SER   2 -12.762  -2.937  -8.915
   10   1HB   SER   2           HB2      SER   2 -14.286  -4.089  -6.839
   11   2HB   SER   2           HB1      SER   2 -14.771  -2.781  -7.913
   12    HG   SER   2           HG       SER   2 -15.958  -4.135  -9.018
   13    H    MET   3           HN       MET   3 -12.433  -3.278  -6.234
   14    HA   MET   3           HA       MET   3 -10.032  -4.978  -6.143
   15   1HB   MET   3           HB2      MET   3  -9.776  -4.003  -3.851
   16   2HB   MET   3           HB1      MET   3  -9.904  -2.775  -5.111
   17   1HG   MET   3           HG2      MET   3 -12.018  -2.117  -4.452
   18   2HG   MET   3           HG1      MET   3 -12.428  -3.710  -3.814
   19   1HE   MET   3           HE1      MET   3 -10.780  -0.600  -3.735
   20   2HE   MET   3           HE3      MET   3 -11.126  -0.022  -2.100
   21   3HE   MET   3           HE2      MET   3  -9.542  -0.693  -2.485
   22    H    THR   4           HN       THR   4 -13.065  -5.869  -6.054
   23    HA   THR   4           HA       THR   4 -13.330  -7.199  -3.498
   24    HB   THR   4           HB       THR   4 -14.717  -7.569  -6.162
   25    HG1  THR   4           HG1      THR   4 -15.997  -6.817  -3.820
   26   1HG2  THR   4          HG22      THR   4 -14.584  -9.370  -3.916
   27   2HG2  THR   4          HG21      THR   4 -16.223  -8.740  -4.078
   28   3HG2  THR   4          HG23      THR   4 -15.456  -9.563  -5.436
   29    H    ASP   5           HN       ASP   5 -13.672  -9.234  -6.316
   30    HA   ASP   5           HA       ASP   5 -12.311 -11.434  -5.261
   31   1HB   ASP   5           HB2      ASP   5 -13.448 -10.745  -7.759
   32   2HB   ASP   5           HB1      ASP   5 -11.803 -11.282  -8.102
   33    H    GLN   6           HN       GLN   6 -11.019  -8.514  -6.628
   34    HA   GLN   6           HA       GLN   6  -8.403  -9.377  -7.320
   35   1HB   GLN   6           HB2      GLN   6  -9.681  -7.005  -7.439
   36   2HB   GLN   6           HB1      GLN   6  -8.699  -6.724  -6.000
   37   1HG   GLN   6           HG2      GLN   6  -7.070  -6.154  -7.482
   38   2HG   GLN   6           HG1      GLN   6  -6.878  -7.896  -7.685
   39   1HE2  GLN   6          HE22      GLN   6  -8.462  -5.676 -10.705
   40   2HE2  GLN   6          HE21      GLN   6  -8.049  -4.961  -9.222
   41    H    GLN   7           HN       GLN   7  -9.587  -8.021  -4.222
   42    HA   GLN   7           HA       GLN   7  -7.113  -8.407  -2.825
   43   1HB   GLN   7           HB2      GLN   7  -8.338  -7.905  -0.838
   44   2HB   GLN   7           HB1      GLN   7  -9.097  -6.955  -2.115
   45   1HG   GLN   7           HG2      GLN   7 -10.458  -9.366  -2.246
   46   2HG   GLN   7           HG1      GLN   7 -10.210  -9.142  -0.514
   47   1HE2  GLN   7          HE22      GLN   7 -13.336  -7.321  -1.473
   48   2HE2  GLN   7          HE21      GLN   7 -12.829  -8.939  -1.543
   49    H    ALA   8           HN       ALA   8  -9.772 -10.547  -3.586
   50    HA   ALA   8           HA       ALA   8  -9.291 -12.563  -1.618
   51   1HB   ALA   8           HB2      ALA   8 -11.269 -12.345  -3.265
   52   2HB   ALA   8           HB1      ALA   8 -10.217 -13.145  -4.434
   53   3HB   ALA   8           HB3      ALA   8 -10.667 -13.971  -2.941
   54    H    GLU   9           HN       GLU   9  -7.939 -12.070  -4.877
   55    HA   GLU   9           HA       GLU   9  -6.351 -14.483  -4.841
   56   1HB   GLU   9           HB2      GLU   9  -7.030 -12.779  -6.806
   57   2HB   GLU   9           HB1      GLU   9  -5.437 -12.125  -6.423
   58   1HG   GLU   9           HG2      GLU   9  -4.582 -14.537  -6.560
   59   2HG   GLU   9           HG1      GLU   9  -6.133 -14.930  -7.305
   60    H    ALA  10           HN       ALA  10  -6.023 -11.412  -3.342
   61    HA   ALA  10           HA       ALA  10  -3.095 -11.644  -3.044
   62   1HB   ALA  10           HB3      ALA  10  -5.052  -9.633  -1.888
   63   2HB   ALA  10           HB2      ALA  10  -3.294  -9.522  -1.797
   64   3HB   ALA  10           HB1      ALA  10  -4.104  -9.412  -3.358
   65    H    ARG  11           HN       ARG  11  -6.006 -12.377  -1.271
   66    HA   ARG  11           HA       ARG  11  -4.728 -12.555   1.333
   67   1HB   ARG  11           HB2      ARG  11  -7.242 -12.265   0.829
   68   2HB   ARG  11           HB1      ARG  11  -7.251 -14.002   0.520
   69   1HG   ARG  11           HG2      ARG  11  -7.390 -14.380   2.730
   70   2HG   ARG  11           HG1      ARG  11  -5.829 -13.588   2.950
   71   1HD   ARG  11           HD2      ARG  11  -6.818 -11.809   3.909
   72   2HD   ARG  11           HD1      ARG  11  -7.868 -11.597   2.508
   73    HE   ARG  11           HE       ARG  11  -9.403 -13.286   3.594
   74   1HH1  ARG  11          HH21      ARG  11  -7.824 -10.814   5.234
   75   2HH1  ARG  11          HH22      ARG  11  -8.269 -11.344   6.822
   76   1HH2  ARG  11          HH11      ARG  11  -9.640 -14.336   5.726
   77   2HH2  ARG  11          HH12      ARG  11  -9.299 -13.337   7.100
   78    H    ALA  12           HN       ALA  12  -5.447 -14.826  -1.288
   79    HA   ALA  12           HA       ALA  12  -4.985 -17.284  -0.092
   80   1HB   ALA  12           HB1      ALA  12  -5.097 -16.351  -2.708
   81   2HB   ALA  12           HB3      ALA  12  -3.480 -17.045  -2.587
   82   3HB   ALA  12           HB2      ALA  12  -4.894 -18.034  -2.222
   83    H    PHE  13           HN       PHE  13  -2.391 -15.282  -1.560
   84    HA   PHE  13           HA       PHE  13  -0.326 -16.881  -0.264
   85   1HB   PHE  13           HB2      PHE  13   0.076 -15.784  -2.441
   86   2HB   PHE  13           HB1      PHE  13  -0.135 -14.205  -1.683
   87    HD1  PHE  13           HD1      PHE  13   1.658 -17.319  -0.602
   88    HD2  PHE  13           HD2      PHE  13   1.935 -13.135  -1.532
   89    HE1  PHE  13           HE1      PHE  13   4.042 -17.325   0.080
   90    HE2  PHE  13           HE2      PHE  13   4.319 -13.141  -0.850
   91    HZ   PHE  13           HZ       PHE  13   5.373 -15.235  -0.044
   92    H    LEU  14           HN       LEU  14  -1.981 -13.840   0.395
   93    HA   LEU  14           HA       LEU  14  -0.165 -13.214   2.634
   94   1HB   LEU  14           HB2      LEU  14  -2.699 -11.863   1.656
   95   2HB   LEU  14           HB1      LEU  14  -1.672 -11.255   2.953
   96    HG   LEU  14           HG       LEU  14  -0.730 -11.765   0.117
   97   1HD1  LEU  14          HD13      LEU  14  -2.117  -9.511   1.355
   98   2HD1  LEU  14          HD12      LEU  14  -0.558  -9.043   0.678
   99   3HD1  LEU  14          HD11      LEU  14  -1.770  -9.811  -0.348
  100   1HD2  LEU  14          HD22      LEU  14   0.620 -11.305   2.626
  101   2HD2  LEU  14          HD21      LEU  14   1.323 -11.586   1.033
  102   3HD2  LEU  14          HD23      LEU  14   0.914  -9.947   1.540
  103    H    SER  15           HN       SER  15  -0.764 -15.361   3.683
  104    HA   SER  15           HA       SER  15  -3.359 -15.958   4.641
  105   1HB   SER  15           HB2      SER  15  -2.043 -17.110   6.550
  106   2HB   SER  15           HB1      SER  15  -1.740 -17.659   4.905
  107    HG   SER  15           HG       SER  15   0.210 -17.271   5.984
  108    H    GLU  16           HN       GLU  16  -3.887 -15.868   7.116
  109    HA   GLU  16           HA       GLU  16  -4.213 -13.151   7.874
  110   1HB   GLU  16           HB2      GLU  16  -5.456 -15.261   8.726
  111   2HB   GLU  16           HB1      GLU  16  -4.127 -15.407   9.878
  112   1HG   GLU  16           HG2      GLU  16  -4.788 -12.730  10.059
  113   2HG   GLU  16           HG1      GLU  16  -6.359 -13.501   9.836
  114    H    GLU  17           HN       GLU  17  -1.486 -15.222   8.138
  115    HA   GLU  17           HA       GLU  17  -0.255 -13.900  10.420
  116   1HB   GLU  17           HB2      GLU  17   0.333 -16.220   9.715
  117   2HB   GLU  17           HB1      GLU  17   1.035 -15.565   8.235
  118   1HG   GLU  17           HG2      GLU  17   2.891 -15.775   9.676
  119   2HG   GLU  17           HG1      GLU  17   2.450 -14.072   9.817
  120    H    MET  18           HN       MET  18   0.069 -13.660   6.883
  121    HA   MET  18           HA       MET  18   2.192 -11.781   6.813
  122   1HB   MET  18           HB2      MET  18  -0.027 -12.551   4.970
  123   2HB   MET  18           HB1      MET  18   0.816 -11.036   4.638
  124   1HG   MET  18           HG2      MET  18   2.475 -13.441   5.260
  125   2HG   MET  18           HG1      MET  18   1.708 -13.360   3.674
  126   1HE   MET  18           HE2      MET  18   3.800 -13.574   2.648
  127   2HE   MET  18           HE1      MET  18   3.105 -12.287   1.666
  128   3HE   MET  18           HE3      MET  18   4.803 -12.211   2.158
  129    H    ILE  19           HN       ILE  19  -1.337 -11.148   6.716
  130    HA   ILE  19           HA       ILE  19  -1.031  -8.291   6.930
  131    HB   ILE  19           HB       ILE  19  -3.426  -9.959   7.751
  132   1HG1  ILE  19          HG12      ILE  19  -4.012  -9.062   5.260
  133   2HG1  ILE  19          HG11      ILE  19  -2.269  -9.285   5.098
  134   1HG2  ILE  19          HG22      ILE  19  -2.932  -7.060   7.136
  135   2HG2  ILE  19          HG21      ILE  19  -4.518  -7.760   6.809
  136   3HG2  ILE  19          HG23      ILE  19  -3.868  -7.775   8.448
  137   1HD1  ILE  19          HD13      ILE  19  -3.457 -11.518   6.515
  138   2HD1  ILE  19          HD12      ILE  19  -4.239 -11.284   4.951
  139   3HD1  ILE  19          HD11      ILE  19  -2.495 -11.525   5.037
  140    H    ALA  20           HN       ALA  20  -0.568 -10.776   9.178
  141    HA   ALA  20           HA       ALA  20  -1.479  -9.362  11.551
  142   1HB   ALA  20           HB3      ALA  20  -0.432 -11.957  10.914
  143   2HB   ALA  20           HB2      ALA  20   0.519 -11.267  12.231
  144   3HB   ALA  20           HB1      ALA  20  -1.230 -11.430  12.396
  145    H    GLU  21           HN       GLU  21   1.768 -10.082  10.216
  146    HA   GLU  21           HA       GLU  21   2.967  -8.147  12.088
  147   1HB   GLU  21           HB2      GLU  21   3.879 -10.422  10.632
  148   2HB   GLU  21           HB1      GLU  21   4.820  -9.032  10.088
  149   1HG   GLU  21           HG2      GLU  21   4.700  -8.661  12.830
  150   2HG   GLU  21           HG1      GLU  21   4.863 -10.411  12.673
  151    H    PHE  22           HN       PHE  22   1.577  -8.075   8.991
  152    HA   PHE  22           HA       PHE  22   3.258  -5.845   8.030
  153   1HB   PHE  22           HB2      PHE  22   2.118  -7.792   6.635
  154   2HB   PHE  22           HB1      PHE  22   0.736  -6.697   6.657
  155    HD1  PHE  22           HD2      PHE  22   4.404  -5.964   6.546
  156    HD2  PHE  22           HD1      PHE  22   0.624  -5.733   4.520
  157    HE1  PHE  22           HE2      PHE  22   5.448  -4.607   4.752
  158    HE2  PHE  22           HE1      PHE  22   1.668  -4.375   2.726
  159    HZ   PHE  22           HZ       PHE  22   4.080  -3.812   2.843
  160    H    LYS  23           HN       LYS  23  -0.009  -6.404   9.290
  161    HA   LYS  23           HA       LYS  23  -1.159  -3.894   8.717
  162   1HB   LYS  23           HB2      LYS  23  -2.740  -4.356  10.435
  163   2HB   LYS  23           HB1      LYS  23  -2.262  -5.935   9.810
  164   1HG   LYS  23           HG2      LYS  23  -0.611  -6.139  11.658
  165   2HG   LYS  23           HG1      LYS  23  -1.171  -4.595  12.303
  166   1HD   LYS  23           HD2      LYS  23  -3.403  -5.490  12.651
  167   2HD   LYS  23           HD1      LYS  23  -2.957  -7.004  11.866
  168   1HE   LYS  23           HE2      LYS  23  -1.013  -6.689  13.833
  169   2HE   LYS  23           HE1      LYS  23  -2.494  -6.140  14.617
  170   1HZ   LYS  23           HZ2      LYS  23  -2.245  -8.698  13.130
  171   2HZ   LYS  23           HZ1      LYS  23  -2.095  -8.558  14.817
  172   3HZ   LYS  23           HZ3      LYS  23  -3.567  -8.183  14.064
  173    H    ALA  24           HN       ALA  24   1.272  -4.745  11.088
  174    HA   ALA  24           HA       ALA  24   0.989  -2.270  12.606
  175   1HB   ALA  24           HB1      ALA  24   2.045  -4.599  13.301
  176   2HB   ALA  24           HB3      ALA  24   3.511  -3.886  12.631
  177   3HB   ALA  24           HB2      ALA  24   2.678  -3.094  13.968
  178    H    ALA  25           HN       ALA  25   2.911  -3.386   9.878
  179    HA   ALA  25           HA       ALA  25   4.850  -1.284   9.874
  180   1HB   ALA  25           HB2      ALA  25   3.753  -3.157   7.800
  181   2HB   ALA  25           HB1      ALA  25   4.778  -1.815   7.289
  182   3HB   ALA  25           HB3      ALA  25   5.399  -3.020   8.419
  183    H    PHE  26           HN       PHE  26   1.497  -1.376   8.929
  184    HA   PHE  26           HA       PHE  26   1.680   1.116   7.375
  185   1HB   PHE  26           HB2      PHE  26   0.016  -0.892   7.055
  186   2HB   PHE  26           HB1      PHE  26  -0.907  -0.086   8.323
  187    HD1  PHE  26           HD1      PHE  26  -1.160   2.550   7.994
  188    HD2  PHE  26           HD2      PHE  26  -0.372  -0.264   4.846
  189    HE1  PHE  26           HE1      PHE  26  -2.034   4.168   6.329
  190    HE2  PHE  26           HE2      PHE  26  -1.247   1.354   3.182
  191    HZ   PHE  26           HZ       PHE  26  -2.079   3.568   3.924
  192    H    ASP  27           HN       ASP  27   0.784   0.095  10.622
  193    HA   ASP  27           HA       ASP  27  -0.400   2.671  11.324
  194   1HB   ASP  27           HB2      ASP  27   0.148   0.094  12.690
  195   2HB   ASP  27           HB1      ASP  27   0.134   1.525  13.722
  196    H    MET  28           HN       MET  28   2.751   1.667  10.816
  197    HA   MET  28           HA       MET  28   4.322   2.650  12.875
  198   1HB   MET  28           HB2      MET  28   4.698   2.096  10.118
  199   2HB   MET  28           HB1      MET  28   5.370   3.703  10.406
  200   1HG   MET  28           HG2      MET  28   6.265   2.333  12.608
  201   2HG   MET  28           HG1      MET  28   6.303   1.077  11.371
  202   1HE   MET  28           HE3      MET  28   7.191   1.157   9.297
  203   2HE   MET  28           HE2      MET  28   8.620   2.037   8.758
  204   3HE   MET  28           HE1      MET  28   8.766   0.828  10.033
  205    H    PHE  29           HN       PHE  29   3.407   4.713  10.085
  206    HA   PHE  29           HA       PHE  29   4.015   7.141  11.536
  207   1HB   PHE  29           HB2      PHE  29   2.582   6.564   8.939
  208   2HB   PHE  29           HB1      PHE  29   2.729   8.202   9.576
  209    HD1  PHE  29           HD2      PHE  29   5.094   9.040  10.183
  210    HD2  PHE  29           HD1      PHE  29   4.356   5.594   7.728
  211    HE1  PHE  29           HE2      PHE  29   7.400   9.188   9.284
  212    HE2  PHE  29           HE1      PHE  29   6.662   5.741   6.828
  213    HZ   PHE  29           HZ       PHE  29   8.184   7.539   7.606
  214    H    ASP  30           HN       ASP  30   0.859   6.028  10.240
  215    HA   ASP  30           HA       ASP  30  -0.466   7.573  12.405
  216   1HB   ASP  30           HB2      ASP  30  -1.069   7.162   9.691
  217   2HB   ASP  30           HB1      ASP  30  -2.270   6.222  10.575
  218    H    ALA  31           HN       ALA  31  -0.393   6.275  14.231
  219    HA   ALA  31           HA       ALA  31  -1.441   3.488  13.943
  220   1HB   ALA  31           HB2      ALA  31   0.759   4.638  15.461
  221   2HB   ALA  31           HB1      ALA  31  -0.364   3.778  16.516
  222   3HB   ALA  31           HB3      ALA  31   0.384   2.942  15.155
  223    H    ASP  32           HN       ASP  32  -1.663   6.477  15.841
  224    HA   ASP  32           HA       ASP  32  -4.007   5.405  17.302
  225   1HB   ASP  32           HB2      ASP  32  -2.195   6.770  18.441
  226   2HB   ASP  32           HB1      ASP  32  -2.767   8.160  17.516
  227    H    GLY  33           HN       GLY  33  -3.850   6.226  14.319
  228   1HA   GLY  33           HA2      GLY  33  -6.127   8.167  14.392
  229   2HA   GLY  33           HA1      GLY  33  -4.980   8.064  13.057
  230    H    GLY  34           HN       GLY  34  -4.819   5.424  12.493
  231   1HA   GLY  34           HA2      GLY  34  -6.963   3.712  12.548
  232   2HA   GLY  34           HA1      GLY  34  -7.446   4.885  11.322
  233    H    GLY  35           HN       GLY  35  -4.958   5.415  10.137
  234   1HA   GLY  35           HA2      GLY  35  -3.062   3.943   9.265
  235   2HA   GLY  35           HA1      GLY  35  -4.317   2.742   8.958
  236    H    ASP  36           HN       ASP  36  -3.710   6.199   8.228
  237    HA   ASP  36           HA       ASP  36  -4.348   5.615   5.386
  238   1HB   ASP  36           HB2      ASP  36  -5.635   7.923   5.507
  239   2HB   ASP  36           HB1      ASP  36  -6.458   6.425   5.946
  240    H    ILE  37           HN       ILE  37  -2.266   6.079   4.685
  241    HA   ILE  37           HA       ILE  37  -0.980   8.587   5.602
  242    HB   ILE  37           HB       ILE  37   0.106   6.527   3.666
  243   1HG1  ILE  37          HG12      ILE  37   1.090   6.507   6.441
  244   2HG1  ILE  37          HG11      ILE  37  -0.594   6.004   6.279
  245   1HG2  ILE  37          HG22      ILE  37   1.081   8.946   4.031
  246   2HG2  ILE  37          HG21      ILE  37   1.703   8.256   5.531
  247   3HG2  ILE  37          HG23      ILE  37   2.173   7.562   3.980
  248   1HD1  ILE  37          HD12      ILE  37   0.081   4.388   4.517
  249   2HD1  ILE  37          HD11      ILE  37   1.764   4.859   4.752
  250   3HD1  ILE  37          HD13      ILE  37   0.881   4.058   6.053
  251    H    SER  38           HN       SER  38  -0.660  10.349   4.249
  252    HA   SER  38           HA       SER  38  -2.288  10.419   1.804
  253   1HB   SER  38           HB2      SER  38  -0.766  12.440   3.421
  254   2HB   SER  38           HB1      SER  38  -1.213  12.826   1.761
  255    HG   SER  38           HG       SER  38  -2.729  12.841   3.958
  256    H    THR  39           HN       THR  39  -0.879  12.003   0.077
  257    HA   THR  39           HA       THR  39   1.028  10.118  -1.041
  258    HB   THR  39           HB       THR  39   1.390  12.005  -2.723
  259    HG1  THR  39           HG1      THR  39   0.304  13.822  -2.455
  260   1HG2  THR  39          HG22      THR  39  -0.374  10.112  -2.797
  261   2HG2  THR  39          HG21      THR  39  -1.532  11.369  -2.354
  262   3HG2  THR  39          HG23      THR  39  -0.613  11.502  -3.854
  263    H    LYS  40           HN       LYS  40   1.321  13.406   0.340
  264    HA   LYS  40           HA       LYS  40   4.109  13.708   0.064
  265   1HB   LYS  40           HB2      LYS  40   2.707  15.543   0.846
  266   2HB   LYS  40           HB1      LYS  40   2.298  14.647   2.310
  267   1HG   LYS  40           HG2      LYS  40   4.840  14.567   2.749
  268   2HG   LYS  40           HG1      LYS  40   4.960  15.829   1.523
  269   1HD   LYS  40           HD2      LYS  40   3.296  17.178   2.823
  270   2HD   LYS  40           HD1      LYS  40   3.355  15.951   4.090
  271   1HE   LYS  40           HE2      LYS  40   5.922  16.323   4.037
  272   2HE   LYS  40           HE1      LYS  40   5.541  17.817   3.182
  273   1HZ   LYS  40           HZ2      LYS  40   3.877  18.141   5.117
  274   2HZ   LYS  40           HZ1      LYS  40   4.871  17.032   5.935
  275   3HZ   LYS  40           HZ3      LYS  40   5.522  18.489   5.363
  276    H    GLU  41           HN       GLU  41   2.374  12.480   2.950
  277    HA   GLU  41           HA       GLU  41   4.778  11.597   4.260
  278   1HB   GLU  41           HB2      GLU  41   2.111  11.855   4.970
  279   2HB   GLU  41           HB1      GLU  41   2.354  10.108   4.964
  280   1HG   GLU  41           HG2      GLU  41   3.413  10.265   6.941
  281   2HG   GLU  41           HG1      GLU  41   4.646  11.273   6.183
  282    H    LEU  42           HN       LEU  42   2.709  10.172   1.841
  283    HA   LEU  42           HA       LEU  42   3.684   7.450   2.268
  284   1HB   LEU  42           HB2      LEU  42   1.489   7.671   1.317
  285   2HB   LEU  42           HB1      LEU  42   2.081   8.749   0.052
  286    HG   LEU  42           HG       LEU  42   3.427   6.116   0.199
  287   1HD1  LEU  42          HD13      LEU  42   0.750   5.967   0.549
  288   2HD1  LEU  42          HD12      LEU  42   0.810   6.080  -1.209
  289   3HD1  LEU  42          HD11      LEU  42   1.660   4.776  -0.381
  290   1HD2  LEU  42          HD23      LEU  42   2.854   8.246  -1.686
  291   2HD2  LEU  42          HD22      LEU  42   4.050   6.956  -1.801
  292   3HD2  LEU  42          HD21      LEU  42   2.401   6.681  -2.361
  293    H    GLY  43           HN       GLY  43   5.170  10.155   1.104
  294   1HA   GLY  43           HA2      GLY  43   6.827   8.562  -0.812
  295   2HA   GLY  43           HA1      GLY  43   6.558  10.297  -0.983
  296    H    THR  44           HN       THR  44   6.772  10.480   2.071
  297    HA   THR  44           HA       THR  44   9.651  10.992   2.108
  298    HB   THR  44           HB       THR  44   8.041  12.501   3.248
  299    HG1  THR  44           HG1      THR  44  10.117  12.454   4.062
  300   1HG2  THR  44          HG21      THR  44   6.574  10.488   3.941
  301   2HG2  THR  44          HG23      THR  44   7.678  10.331   5.308
  302   3HG2  THR  44          HG22      THR  44   6.743  11.811   5.094
  303    H    VAL  45           HN       VAL  45   7.852   8.233   2.527
  304    HA   VAL  45           HA       VAL  45   9.424   7.126   4.761
  305    HB   VAL  45           HB       VAL  45   6.993   6.571   4.419
  306   1HG1  VAL  45          HG11      VAL  45   7.170   6.473   1.911
  307   2HG1  VAL  45          HG13      VAL  45   8.046   4.952   2.081
  308   3HG1  VAL  45          HG12      VAL  45   6.371   5.068   2.617
  309   1HG2  VAL  45          HG23      VAL  45   9.030   4.991   5.326
  310   2HG2  VAL  45          HG22      VAL  45   7.328   4.533   5.392
  311   3HG2  VAL  45          HG21      VAL  45   8.345   3.961   4.070
  312    H    MET  46           HN       MET  46   9.046   6.603   1.253
  313    HA   MET  46           HA       MET  46  11.236   4.651   1.227
  314   1HB   MET  46           HB2      MET  46  10.885   4.726  -1.257
  315   2HB   MET  46           HB1      MET  46   9.417   4.345  -0.358
  316   1HG   MET  46           HG2      MET  46   9.820   7.226  -0.727
  317   2HG   MET  46           HG1      MET  46   9.651   6.351  -2.248
  318   1HE   MET  46           HE3      MET  46   8.145   4.415  -2.447
  319   2HE   MET  46           HE2      MET  46   7.613   3.798  -0.885
  320   3HE   MET  46           HE1      MET  46   6.430   4.457  -2.013
  321    H    ARG  47           HN       ARG  47  10.840   8.077   0.844
  322    HA   ARG  47           HA       ARG  47  13.081   8.712  -0.764
  323   1HB   ARG  47           HB2      ARG  47  12.923  10.915   0.105
  324   2HB   ARG  47           HB1      ARG  47  11.275  10.291   0.184
  325   1HG   ARG  47           HG2      ARG  47  11.522  11.183   2.323
  326   2HG   ARG  47           HG1      ARG  47  11.998   9.507   2.594
  327   1HD   ARG  47           HD2      ARG  47  14.125  10.091   3.091
  328   2HD   ARG  47           HD1      ARG  47  14.235  11.161   1.694
  329    HE   ARG  47           HE       ARG  47  12.612  12.484   3.579
  330   1HH1  ARG  47          HH11      ARG  47  14.170  11.607   5.782
  331   2HH1  ARG  47          HH12      ARG  47  15.584  12.608   5.768
  332   1HH2  ARG  47          HH21      ARG  47  15.150  13.632   2.483
  333   2HH2  ARG  47          HH22      ARG  47  16.139  13.752   3.899
  334    H    MET  48           HN       MET  48  12.867   7.817   2.637
  335    HA   MET  48           HA       MET  48  15.330   8.593   3.647
  336   1HB   MET  48           HB2      MET  48  13.512   6.317   4.117
  337   2HB   MET  48           HB1      MET  48  15.185   6.020   4.589
  338   1HG   MET  48           HG2      MET  48  15.204   7.985   6.001
  339   2HG   MET  48           HG1      MET  48  13.613   8.473   5.418
  340   1HE   MET  48           HE1      MET  48  11.950   8.405   6.420
  341   2HE   MET  48           HE3      MET  48  11.144   7.093   7.291
  342   3HE   MET  48           HE2      MET  48  12.175   8.229   8.158
  343    H    LEU  49           HN       LEU  49  15.186   5.175   2.796
  344    HA   LEU  49           HA       LEU  49  17.907   5.399   1.665
  345   1HB   LEU  49           HB2      LEU  49  17.843   2.921   1.672
  346   2HB   LEU  49           HB1      LEU  49  17.439   3.583   3.257
  347    HG   LEU  49           HG       LEU  49  15.067   3.328   1.598
  348   1HD1  LEU  49          HD13      LEU  49  16.894   1.326   1.066
  349   2HD1  LEU  49          HD12      LEU  49  15.930   0.627   2.368
  350   3HD1  LEU  49          HD11      LEU  49  15.147   1.176   0.886
  351   1HD2  LEU  49          HD22      LEU  49  15.931   3.044   4.318
  352   2HD2  LEU  49          HD21      LEU  49  14.282   3.142   3.701
  353   3HD2  LEU  49          HD23      LEU  49  15.077   1.574   3.848
  354    H    GLY  50           HN       GLY  50  15.930   6.631   0.065
  355   1HA   GLY  50           HA2      GLY  50  16.098   4.892  -2.342
  356   2HA   GLY  50           HA1      GLY  50  14.528   5.566  -1.902
  357    H    GLN  51           HN       GLN  51  14.035   7.449  -2.907
  358    HA   GLN  51           HA       GLN  51  16.216   9.408  -3.463
  359   1HB   GLN  51           HB2      GLN  51  14.193   9.210  -5.593
  360   2HB   GLN  51           HB1      GLN  51  15.940   9.390  -5.727
  361   1HG   GLN  51           HG2      GLN  51  14.625   6.775  -4.961
  362   2HG   GLN  51           HG1      GLN  51  14.971   7.209  -6.635
  363   1HE2  GLN  51          HE22      GLN  51  18.598   7.226  -5.984
  364   2HE2  GLN  51          HE21      GLN  51  17.445   8.252  -6.691
  365    H    ASN  52           HN       ASN  52  15.379  11.618  -3.369
  366    HA   ASN  52           HA       ASN  52  12.931  11.902  -1.919
  367   1HB   ASN  52           HB2      ASN  52  14.077  13.983  -3.798
  368   2HB   ASN  52           HB1      ASN  52  13.105  14.260  -2.353
  369   1HD2  ASN  52          HD22      ASN  52  16.558  14.891  -1.247
  370   2HD2  ASN  52          HD21      ASN  52  15.380  15.651  -2.205
  371    HA   PRO  53           HA       PRO  53  10.432  11.210  -5.553
  372   1HB   PRO  53           HB2      PRO  53   8.096  10.856  -4.171
  373   2HB   PRO  53           HB1      PRO  53   9.363   9.622  -4.267
  374   1HG   PRO  53           HG2      PRO  53   8.574  11.275  -1.948
  375   2HG   PRO  53           HG1      PRO  53   9.518   9.779  -1.988
  376   1HD   PRO  53           HD2      PRO  53  10.501  12.500  -1.759
  377   2HD   PRO  53           HD1      PRO  53  11.426  10.981  -1.732
  378    H    THR  54           HN       THR  54   8.373  12.230  -6.460
  379    HA   THR  54           HA       THR  54   8.314  15.119  -5.758
  380    HB   THR  54           HB       THR  54   6.892  13.822  -8.081
  381    HG1  THR  54           HG1      THR  54   9.568  14.758  -7.984
  382   1HG2  THR  54          HG21      THR  54   7.908  16.582  -7.408
  383   2HG2  THR  54          HG23      THR  54   7.487  16.121  -9.058
  384   3HG2  THR  54          HG22      THR  54   6.260  16.087  -7.792
  385    H    LYS  55           HN       LYS  55   6.241  16.180  -5.435
  386    HA   LYS  55           HA       LYS  55   4.428  14.756  -3.773
  387   1HB   LYS  55           HB2      LYS  55   4.645  17.252  -3.841
  388   2HB   LYS  55           HB1      LYS  55   3.826  17.240  -5.403
  389   1HG   LYS  55           HG2      LYS  55   2.263  15.663  -3.627
  390   2HG   LYS  55           HG1      LYS  55   2.658  17.160  -2.782
  391   1HD   LYS  55           HD2      LYS  55   1.911  18.425  -4.828
  392   2HD   LYS  55           HD1      LYS  55   1.350  16.895  -5.502
  393   1HE   LYS  55           HE2      LYS  55  -0.048  16.598  -3.412
  394   2HE   LYS  55           HE1      LYS  55   0.374  18.254  -2.978
  395   1HZ   LYS  55           HZ3      LYS  55  -0.776  17.609  -5.619
  396   2HZ   LYS  55           HZ2      LYS  55  -1.772  17.868  -4.268
  397   3HZ   LYS  55           HZ1      LYS  55  -0.739  19.101  -4.814
  398    H    GLU  56           HN       GLU  56   4.493  15.287  -7.248
  399    HA   GLU  56           HA       GLU  56   1.828  14.103  -7.607
  400   1HB   GLU  56           HB2      GLU  56   3.399  15.827  -9.120
  401   2HB   GLU  56           HB1      GLU  56   3.505  14.300  -9.999
  402   1HG   GLU  56           HG2      GLU  56   1.230  14.233 -10.438
  403   2HG   GLU  56           HG1      GLU  56   0.822  15.196  -9.018
  404    H    GLU  57           HN       GLU  57   5.155  13.093  -7.575
  405    HA   GLU  57           HA       GLU  57   5.029  10.740  -9.138
  406   1HB   GLU  57           HB2      GLU  57   7.138  11.603  -8.213
  407   2HB   GLU  57           HB1      GLU  57   6.587  11.224  -6.580
  408   1HG   GLU  57           HG2      GLU  57   7.932   9.370  -7.160
  409   2HG   GLU  57           HG1      GLU  57   6.287   8.807  -7.457
  410    H    LEU  58           HN       LEU  58   4.265  11.214  -5.683
  411    HA   LEU  58           HA       LEU  58   3.528   8.461  -5.225
  412   1HB   LEU  58           HB2      LEU  58   2.773  11.000  -3.745
  413   2HB   LEU  58           HB1      LEU  58   2.408   9.373  -3.174
  414    HG   LEU  58           HG       LEU  58   4.418   9.910  -2.063
  415   1HD1  LEU  58          HD12      LEU  58   4.405   7.775  -3.619
  416   2HD1  LEU  58          HD11      LEU  58   5.645   8.665  -4.502
  417   3HD1  LEU  58          HD13      LEU  58   5.889   8.266  -2.803
  418   1HD2  LEU  58          HD23      LEU  58   4.714  11.839  -3.965
  419   2HD2  LEU  58          HD22      LEU  58   5.983  11.387  -2.826
  420   3HD2  LEU  58          HD21      LEU  58   5.974  10.707  -4.454
  421    H    ASP  59           HN       ASP  59   1.927  11.171  -6.665
  422    HA   ASP  59           HA       ASP  59  -0.792  10.378  -6.246
  423   1HB   ASP  59           HB2      ASP  59  -0.086  12.614  -7.109
  424   2HB   ASP  59           HB1      ASP  59   0.380  11.847  -8.627
  425    H    ALA  60           HN       ALA  60   1.712   9.170  -8.328
  426    HA   ALA  60           HA       ALA  60  -0.008   7.898 -10.273
  427   1HB   ALA  60           HB1      ALA  60   2.869   7.853  -9.563
  428   2HB   ALA  60           HB3      ALA  60   2.255   6.384 -10.320
  429   3HB   ALA  60           HB2      ALA  60   2.104   7.933 -11.149
  430    H    ILE  61           HN       ILE  61   1.936   6.447  -7.629
  431    HA   ILE  61           HA       ILE  61   0.705   3.895  -7.736
  432    HB   ILE  61           HB       ILE  61   1.490   5.044  -5.079
  433   1HG1  ILE  61          HG12      ILE  61   3.876   4.158  -6.140
  434   2HG1  ILE  61          HG11      ILE  61   3.153   5.022  -7.500
  435   1HG2  ILE  61          HG21      ILE  61   1.679   2.416  -6.527
  436   2HG2  ILE  61          HG23      ILE  61   2.720   2.747  -5.142
  437   3HG2  ILE  61          HG22      ILE  61   0.967   2.767  -4.952
  438   1HD1  ILE  61          HD11      ILE  61   2.603   6.668  -5.343
  439   2HD1  ILE  61          HD13      ILE  61   4.227   6.078  -4.993
  440   3HD1  ILE  61          HD12      ILE  61   3.900   6.911  -6.514
  441    H    ILE  62           HN       ILE  62  -0.313   6.896  -6.195
  442    HA   ILE  62           HA       ILE  62  -2.395   5.755  -4.598
  443    HB   ILE  62           HB       ILE  62  -1.965   8.523  -5.729
  444   1HG1  ILE  62          HG12      ILE  62  -1.196   7.029  -3.345
  445   2HG1  ILE  62          HG11      ILE  62  -0.590   8.572  -3.931
  446   1HG2  ILE  62          HG22      ILE  62  -4.253   7.481  -4.033
  447   2HG2  ILE  62          HG21      ILE  62  -3.858   9.194  -4.177
  448   3HG2  ILE  62          HG23      ILE  62  -4.360   8.282  -5.600
  449   1HD1  ILE  62          HD12      ILE  62  -2.664   9.651  -2.947
  450   2HD1  ILE  62          HD11      ILE  62  -3.029   8.098  -2.195
  451   3HD1  ILE  62          HD13      ILE  62  -1.556   8.965  -1.758
  452    H    GLU  63           HN       GLU  63  -2.324   7.006  -7.924
  453    HA   GLU  63           HA       GLU  63  -5.128   6.769  -8.429
  454   1HB   GLU  63           HB2      GLU  63  -3.691   8.003  -9.961
  455   2HB   GLU  63           HB1      GLU  63  -2.760   6.546 -10.313
  456   1HG   GLU  63           HG2      GLU  63  -4.647   5.503 -11.384
  457   2HG   GLU  63           HG1      GLU  63  -5.733   6.783 -10.841
  458    H    GLU  64           HN       GLU  64  -2.739   4.407  -7.882
  459    HA   GLU  64           HA       GLU  64  -3.668   2.272  -9.538
  460   1HB   GLU  64           HB2      GLU  64  -1.507   2.355  -8.188
  461   2HB   GLU  64           HB1      GLU  64  -2.481   1.948  -6.775
  462   1HG   GLU  64           HG2      GLU  64  -1.579  -0.107  -7.710
  463   2HG   GLU  64           HG1      GLU  64  -3.320  -0.071  -7.998
  464    H    VAL  65           HN       VAL  65  -4.882   3.571  -6.496
  465    HA   VAL  65           HA       VAL  65  -7.179   1.714  -6.732
  466    HB   VAL  65           HB       VAL  65  -6.999   1.591  -4.104
  467   1HG1  VAL  65          HG13      VAL  65  -6.717  -0.241  -5.934
  468   2HG1  VAL  65          HG12      VAL  65  -4.989  -0.053  -5.633
  469   3HG1  VAL  65          HG11      VAL  65  -6.062  -0.556  -4.327
  470   1HG2  VAL  65          HG22      VAL  65  -4.166   2.187  -5.002
  471   2HG2  VAL  65          HG21      VAL  65  -5.117   3.072  -3.809
  472   3HG2  VAL  65          HG23      VAL  65  -4.556   1.439  -3.453
  473    H    ASP  66           HN       ASP  66  -5.729   4.466  -5.028
  474    HA   ASP  66           HA       ASP  66  -7.114   5.992  -3.622
  475   1HB   ASP  66           HB2      ASP  66  -7.213   7.932  -5.101
  476   2HB   ASP  66           HB1      ASP  66  -5.727   7.031  -5.394
  477    H    GLU  67           HN       GLU  67  -9.005   4.301  -3.522
  478    HA   GLU  67           HA       GLU  67 -11.261   4.379  -5.176
  479   1HB   GLU  67           HB2      GLU  67 -10.685   3.597  -2.442
  480   2HB   GLU  67           HB1      GLU  67 -12.291   4.314  -2.563
  481   1HG   GLU  67           HG2      GLU  67 -11.537   2.392  -4.702
  482   2HG   GLU  67           HG1      GLU  67 -11.824   1.714  -3.098
  483    H    ASP  68           HN       ASP  68 -11.251   6.158  -2.081
  484    HA   ASP  68           HA       ASP  68 -12.432   8.487  -3.525
  485   1HB   ASP  68           HB2      ASP  68 -13.428   7.904  -0.780
  486   2HB   ASP  68           HB1      ASP  68 -14.277   8.601  -2.160
  487    H    GLY  69           HN       GLY  69  -9.856   7.485  -1.897
  488   1HA   GLY  69           HA2      GLY  69  -9.660   9.820  -0.073
  489   2HA   GLY  69           HA1      GLY  69  -8.547   8.445  -0.106
  490    H    SER  70           HN       SER  70  -9.740  10.967  -2.295
  491    HA   SER  70           HA       SER  70  -7.830  10.977  -4.271
  492   1HB   SER  70           HB2      SER  70  -9.861  12.615  -3.680
  493   2HB   SER  70           HB1      SER  70  -8.535  13.649  -3.157
  494    HG   SER  70           HG       SER  70  -8.087  13.986  -5.175
  495    H    GLY  71           HN       GLY  71  -5.801  10.271  -3.215
  496   1HA   GLY  71           HA2      GLY  71  -3.568  11.321  -3.039
  497   2HA   GLY  71           HA1      GLY  71  -4.314  12.621  -2.114
  498    H    THR  72           HN       THR  72  -5.050   9.208  -1.571
  499    HA   THR  72           HA       THR  72  -3.195   8.992   0.672
  500    HB   THR  72           HB       THR  72  -4.524   9.740   2.325
  501    HG1  THR  72           HG1      THR  72  -5.341   7.805   2.743
  502   1HG2  THR  72          HG22      THR  72  -6.710   9.991   0.244
  503   2HG2  THR  72          HG21      THR  72  -6.758  10.692   1.859
  504   3HG2  THR  72          HG23      THR  72  -5.560  11.248   0.691
  505    H    ILE  73           HN       ILE  73  -3.382   6.838   1.731
  506    HA   ILE  73           HA       ILE  73  -4.981   4.853   0.200
  507    HB   ILE  73           HB       ILE  73  -1.975   4.796   0.571
  508   1HG1  ILE  73          HG12      ILE  73  -3.190   4.066  -2.003
  509   2HG1  ILE  73          HG11      ILE  73  -3.548   5.721  -1.505
  510   1HG2  ILE  73          HG22      ILE  73  -3.902   2.580  -0.171
  511   2HG2  ILE  73          HG21      ILE  73  -2.171   2.504  -0.497
  512   3HG2  ILE  73          HG23      ILE  73  -2.752   2.596   1.166
  513   1HD1  ILE  73          HD12      ILE  73  -0.735   4.736  -1.227
  514   2HD1  ILE  73          HD11      ILE  73  -1.319   5.156  -2.837
  515   3HD1  ILE  73          HD13      ILE  73  -1.324   6.366  -1.554
  516    H    ASP  74           HN       ASP  74  -5.513   3.011   1.436
  517    HA   ASP  74           HA       ASP  74  -4.944   3.281   4.346
  518   1HB   ASP  74           HB2      ASP  74  -7.265   2.590   2.858
  519   2HB   ASP  74           HB1      ASP  74  -6.765   1.138   3.726
  520    H    PHE  75           HN       PHE  75  -5.153   0.708   5.232
  521    HA   PHE  75           HA       PHE  75  -2.685  -0.473   4.141
  522   1HB   PHE  75           HB2      PHE  75  -2.420  -1.405   6.203
  523   2HB   PHE  75           HB1      PHE  75  -3.674  -0.273   6.695
  524    HD1  PHE  75           HD2      PHE  75  -6.097  -1.044   6.698
  525    HD2  PHE  75           HD1      PHE  75  -2.795  -3.748   6.211
  526    HE1  PHE  75           HE2      PHE  75  -7.570  -2.950   7.286
  527    HE2  PHE  75           HE1      PHE  75  -4.269  -5.654   6.799
  528    HZ   PHE  75           HZ       PHE  75  -6.657  -5.255   7.337
  529    H    GLU  76           HN       GLU  76  -6.089  -0.888   3.869
  530    HA   GLU  76           HA       GLU  76  -6.162  -3.680   3.193
  531   1HB   GLU  76           HB2      GLU  76  -8.202  -2.457   3.766
  532   2HB   GLU  76           HB1      GLU  76  -7.990  -1.403   2.367
  533   1HG   GLU  76           HG2      GLU  76  -7.892  -3.795   1.127
  534   2HG   GLU  76           HG1      GLU  76  -8.927  -4.223   2.491
  535    H    GLU  77           HN       GLU  77  -5.852  -0.729   1.214
  536    HA   GLU  77           HA       GLU  77  -5.693  -2.186  -1.289
  537   1HB   GLU  77           HB2      GLU  77  -4.887   0.641  -0.543
  538   2HB   GLU  77           HB1      GLU  77  -4.871   0.011  -2.190
  539   1HG   GLU  77           HG2      GLU  77  -7.042   0.582  -2.352
  540   2HG   GLU  77           HG1      GLU  77  -7.397  -0.672  -1.163
  541    H    PHE  78           HN       PHE  78  -3.273  -0.581   0.787
  542    HA   PHE  78           HA       PHE  78  -0.919  -0.956  -0.558
  543   1HB   PHE  78           HB2      PHE  78  -1.649  -0.617   2.145
  544   2HB   PHE  78           HB1      PHE  78  -0.556  -1.999   2.116
  545    HD1  PHE  78           HD2      PHE  78  -0.605   0.921  -0.205
  546    HD2  PHE  78           HD1      PHE  78   1.455  -1.090   2.983
  547    HE1  PHE  78           HE2      PHE  78   1.324   2.454  -0.484
  548    HE2  PHE  78           HE1      PHE  78   3.383   0.445   2.706
  549    HZ   PHE  78           HZ       PHE  78   3.318   2.217   0.971
  550    H    LEU  79           HN       LEU  79  -2.933  -3.505   0.781
  551    HA   LEU  79           HA       LEU  79  -0.943  -5.601   0.523
  552   1HB   LEU  79           HB2      LEU  79  -3.797  -5.398   1.236
  553   2HB   LEU  79           HB1      LEU  79  -3.364  -6.894   0.407
  554    HG   LEU  79           HG       LEU  79  -1.419  -7.086   2.048
  555   1HD1  LEU  79          HD12      LEU  79  -1.483  -4.711   2.778
  556   2HD1  LEU  79          HD11      LEU  79  -3.059  -4.996   3.517
  557   3HD1  LEU  79          HD13      LEU  79  -1.631  -5.822   4.140
  558   1HD2  LEU  79          HD22      LEU  79  -3.847  -8.148   2.149
  559   2HD2  LEU  79          HD21      LEU  79  -2.740  -8.322   3.511
  560   3HD2  LEU  79          HD23      LEU  79  -4.011  -7.100   3.559
  561    H    VAL  80           HN       VAL  80  -3.946  -4.999  -1.339
  562    HA   VAL  80           HA       VAL  80  -3.556  -6.800  -3.414
  563    HB   VAL  80           HB       VAL  80  -5.556  -5.363  -3.194
  564   1HG1  VAL  80          HG12      VAL  80  -3.505  -3.266  -3.690
  565   2HG1  VAL  80          HG11      VAL  80  -5.079  -3.025  -4.449
  566   3HG1  VAL  80          HG13      VAL  80  -4.963  -3.202  -2.698
  567   1HG2  VAL  80          HG23      VAL  80  -4.019  -5.607  -5.737
  568   2HG2  VAL  80          HG22      VAL  80  -5.609  -6.244  -5.321
  569   3HG2  VAL  80          HG21      VAL  80  -5.426  -4.545  -5.754
  570    H    MET  81           HN       MET  81  -1.754  -3.880  -2.786
  571    HA   MET  81           HA       MET  81  -0.576  -3.826  -5.481
  572   1HB   MET  81           HB2      MET  81  -1.019  -1.767  -4.031
  573   2HB   MET  81           HB1      MET  81   0.360  -2.281  -3.058
  574   1HG   MET  81           HG2      MET  81   1.786  -2.253  -5.082
  575   2HG   MET  81           HG1      MET  81   0.408  -1.699  -6.032
  576   1HE   MET  81           HE3      MET  81   2.126  -1.416  -2.883
  577   2HE   MET  81           HE2      MET  81   3.217  -0.084  -3.253
  578   3HE   MET  81           HE1      MET  81   1.794   0.203  -2.254
  579    H    MET  82           HN       MET  82   0.508  -4.592  -2.167
  580    HA   MET  82           HA       MET  82   3.201  -5.229  -2.851
  581   1HB   MET  82           HB2      MET  82   1.385  -6.129  -0.609
  582   2HB   MET  82           HB1      MET  82   3.055  -6.686  -0.737
  583   1HG   MET  82           HG2      MET  82   2.912  -3.818  -1.115
  584   2HG   MET  82           HG1      MET  82   2.168  -4.277   0.416
  585   1HE   MET  82           HE3      MET  82   5.230  -4.322  -1.857
  586   2HE   MET  82           HE2      MET  82   5.146  -2.878  -0.850
  587   3HE   MET  82           HE1      MET  82   6.493  -3.998  -0.661
  588    H    VAL  83           HN       VAL  83   0.243  -6.952  -3.399
  589    HA   VAL  83           HA       VAL  83   1.563  -9.555  -3.724
  590    HB   VAL  83           HB       VAL  83  -1.247  -8.620  -4.379
  591   1HG1  VAL  83          HG11      VAL  83   0.103 -11.318  -4.573
  592   2HG1  VAL  83          HG13      VAL  83  -1.647 -11.156  -4.426
  593   3HG1  VAL  83          HG12      VAL  83  -0.812 -10.467  -5.817
  594   1HG2  VAL  83          HG21      VAL  83   0.107  -9.787  -2.000
  595   2HG2  VAL  83          HG23      VAL  83  -1.295  -8.717  -2.085
  596   3HG2  VAL  83          HG22      VAL  83  -1.483 -10.444  -2.394
  597    H    ARG  84           HN       ARG  84   0.788  -6.801  -5.698
  598    HA   ARG  84           HA       ARG  84   1.033  -8.281  -8.222
  599   1HB   ARG  84           HB2      ARG  84   0.725  -5.359  -7.515
  600   2HB   ARG  84           HB1      ARG  84   1.043  -5.884  -9.170
  601   1HG   ARG  84           HG2      ARG  84  -0.955  -7.457  -8.906
  602   2HG   ARG  84           HG1      ARG  84  -1.338  -6.563  -7.434
  603   1HD   ARG  84           HD2      ARG  84  -2.477  -5.149  -8.788
  604   2HD   ARG  84           HD1      ARG  84  -0.893  -4.546  -9.272
  605    HE   ARG  84           HE       ARG  84  -1.169  -6.603 -10.997
  606   1HH1  ARG  84          HH11      ARG  84  -2.643  -3.613 -10.553
  607   2HH1  ARG  84          HH12      ARG  84  -3.881  -3.854 -11.740
  608   1HH2  ARG  84          HH21      ARG  84  -3.099  -7.190 -12.265
  609   2HH2  ARG  84          HH22      ARG  84  -4.139  -5.879 -12.708
  610    H    GLN  85           HN       GLN  85   2.800  -5.332  -7.271
  611    HA   GLN  85           HA       GLN  85   5.204  -6.416  -8.597
  612   1HB   GLN  85           HB2      GLN  85   4.522  -4.057  -8.978
  613   2HB   GLN  85           HB1      GLN  85   4.753  -3.731  -7.258
  614   1HG   GLN  85           HG2      GLN  85   7.144  -4.601  -7.569
  615   2HG   GLN  85           HG1      GLN  85   6.845  -4.485  -9.303
  616   1HE2  GLN  85          HE22      GLN  85   7.189  -1.046  -7.090
  617   2HE2  GLN  85          HE21      GLN  85   6.913  -2.524  -6.303
  618    H    MET  86           HN       MET  86   6.122  -7.949  -7.241
  619    HA   MET  86           HA       MET  86   6.441  -7.339  -4.368
  620   1HB   MET  86           HB2      MET  86   7.030  -9.752  -6.089
  621   2HB   MET  86           HB1      MET  86   7.603  -9.642  -4.424
  622   1HG   MET  86           HG2      MET  86   4.942  -8.873  -4.236
  623   2HG   MET  86           HG1      MET  86   4.908 -10.174  -5.426
  624   1HE   MET  86           HE1      MET  86   3.311 -10.536  -3.111
  625   2HE   MET  86           HE3      MET  86   3.644 -12.013  -4.025
  626   3HE   MET  86           HE2      MET  86   3.772 -12.011  -2.268
  627    H    LYS  87           HN       LYS  87   8.554  -7.265  -3.362
  628    HA   LYS  87           HA       LYS  87  10.565  -5.979  -5.061
  629   1HB   LYS  87           HB2      LYS  87  10.445  -6.644  -2.111
  630   2HB   LYS  87           HB1      LYS  87  11.865  -5.917  -2.861
  631   1HG   LYS  87           HG2      LYS  87  10.455  -4.047  -3.681
  632   2HG   LYS  87           HG1      LYS  87   9.062  -4.759  -2.865
  633   1HD   LYS  87           HD2      LYS  87   9.869  -3.145  -1.332
  634   2HD   LYS  87           HD1      LYS  87  10.507  -4.675  -0.727
  635   1HE   LYS  87           HE2      LYS  87  12.543  -4.073  -2.316
  636   2HE   LYS  87           HE1      LYS  87  11.941  -2.430  -2.095
  637   1HZ   LYS  87           HZ1      LYS  87  12.049  -3.928   0.347
  638   2HZ   LYS  87           HZ3      LYS  87  13.571  -3.757  -0.381
  639   3HZ   LYS  87           HZ2      LYS  87  12.653  -2.379  -0.002
  640    H    GLU  88           HN       GLU  88   9.840  -9.165  -4.113
  641    HA   GLU  88           HA       GLU  88  12.339 -10.395  -3.794
  642   1HB   GLU  88           HB2      GLU  88  11.304 -12.422  -4.727
  643   2HB   GLU  88           HB1      GLU  88  10.168 -11.598  -3.657
  644   1HG   GLU  88           HG2      GLU  88   8.794 -11.958  -5.483
  645   2HG   GLU  88           HG1      GLU  88   9.461 -10.383  -5.915
  646    H    ASP  89           HN       ASP  89  10.959  -8.905  -6.612
  647    HA   ASP  89           HA       ASP  89  13.443  -8.877  -8.017
  648   1HB   ASP  89           HB2      ASP  89  12.599 -11.360  -8.188
  649   2HB   ASP  89           HB1      ASP  89  11.486 -10.701  -9.387
  650    H    ALA  90           HN       ALA  90  11.713  -6.863  -7.493
  651    HA   ALA  90           HA       ALA  90  10.685  -6.204 -10.207
  652   1HB   ALA  90           HB1      ALA  90   8.862  -7.003  -8.510
  653   2HB   ALA  90           HB3      ALA  90   9.105  -5.423  -7.766
  654   3HB   ALA  90           HB2      ALA  90   8.569  -5.535  -9.443
   
  No H/Q in entry =         654
  Start of MODEL   21
    1   1H    ALA   1           HT1      ALA   1 -10.184  -3.327 -12.895
    2   2H    ALA   1           HT3      ALA   1  -9.552  -4.628 -12.010
    3   3H    ALA   1           HT2      ALA   1 -10.432  -4.919 -13.433
    4    HA   ALA   1           HA       ALA   1 -12.439  -4.062 -12.412
    5   1HB   ALA   1           HB2      ALA   1 -10.998  -6.145 -10.740
    6   2HB   ALA   1           HB1      ALA   1 -12.740  -5.871 -10.749
    7   3HB   ALA   1           HB3      ALA   1 -11.933  -6.464 -12.200
    8    H    SER   2           HN       SER   2 -13.081  -4.286  -9.716
    9    HA   SER   2           HA       SER   2 -12.039  -1.745  -8.707
   10   1HB   SER   2           HB2      SER   2 -14.021  -3.738  -7.578
   11   2HB   SER   2           HB1      SER   2 -13.592  -2.231  -6.775
   12    HG   SER   2           HG       SER   2 -14.245  -1.174  -8.754
   13    H    MET   3           HN       MET   3 -12.611  -4.168  -6.292
   14    HA   MET   3           HA       MET   3  -9.792  -4.913  -6.034
   15   1HB   MET   3           HB2      MET   3 -10.740  -2.565  -4.723
   16   2HB   MET   3           HB1      MET   3 -10.484  -3.798  -3.487
   17   1HG   MET   3           HG2      MET   3  -8.207  -4.180  -4.293
   18   2HG   MET   3           HG1      MET   3  -8.454  -3.026  -5.603
   19   1HE   MET   3           HE2      MET   3  -9.711  -0.976  -5.114
   20   2HE   MET   3           HE1      MET   3 -10.220  -0.589  -3.473
   21   3HE   MET   3           HE3      MET   3  -8.862   0.273  -4.209
   22    H    THR   4           HN       THR   4 -12.670  -6.014  -6.108
   23    HA   THR   4           HA       THR   4 -12.931  -7.318  -3.492
   24    HB   THR   4           HB       THR   4 -14.439  -7.556  -6.105
   25    HG1  THR   4           HG1      THR   4 -16.101  -6.743  -4.693
   26   1HG2  THR   4          HG22      THR   4 -14.315  -9.392  -3.816
   27   2HG2  THR   4          HG21      THR   4 -15.950  -8.860  -4.209
   28   3HG2  THR   4          HG23      THR   4 -14.963  -9.654  -5.435
   29    H    ASP   5           HN       ASP   5 -13.397  -9.229  -6.384
   30    HA   ASP   5           HA       ASP   5 -12.090 -11.516  -5.511
   31   1HB   ASP   5           HB2      ASP   5 -12.618 -10.360  -8.218
   32   2HB   ASP   5           HB1      ASP   5 -11.514 -11.732  -8.114
   33    H    GLN   6           HN       GLN   6 -10.682  -8.547  -6.667
   34    HA   GLN   6           HA       GLN   6  -8.058  -9.500  -7.278
   35   1HB   GLN   6           HB2      GLN   6  -9.103  -7.193  -7.756
   36   2HB   GLN   6           HB1      GLN   6  -8.659  -6.786  -6.099
   37   1HG   GLN   6           HG2      GLN   6  -6.305  -7.367  -6.591
   38   2HG   GLN   6           HG1      GLN   6  -6.752  -7.748  -8.255
   39   1HE2  GLN   6          HE22      GLN   6  -7.049  -4.335  -9.241
   40   2HE2  GLN   6          HE21      GLN   6  -7.441  -5.936  -9.649
   41    H    GLN   7           HN       GLN   7  -9.307  -7.985  -4.271
   42    HA   GLN   7           HA       GLN   7  -6.890  -8.405  -2.791
   43   1HB   GLN   7           HB2      GLN   7  -8.099  -7.681  -0.896
   44   2HB   GLN   7           HB1      GLN   7  -8.907  -6.870  -2.237
   45   1HG   GLN   7           HG2      GLN   7 -10.499  -8.885  -2.287
   46   2HG   GLN   7           HG1      GLN   7  -9.819  -9.320  -0.720
   47   1HE2  GLN   7          HE22      GLN   7 -12.481  -7.271   0.510
   48   2HE2  GLN   7          HE21      GLN   7 -12.011  -8.874   0.214
   49    H    ALA   8           HN       ALA   8  -9.689 -10.447  -3.405
   50    HA   ALA   8           HA       ALA   8  -9.354 -12.381  -1.378
   51   1HB   ALA   8           HB1      ALA   8 -10.896 -12.129  -3.713
   52   2HB   ALA   8           HB3      ALA   8  -9.996 -13.633  -3.915
   53   3HB   ALA   8           HB2      ALA   8 -11.021 -13.401  -2.499
   54    H    GLU   9           HN       GLU   9  -7.754 -12.159  -4.559
   55    HA   GLU   9           HA       GLU   9  -6.224 -14.587  -4.195
   56   1HB   GLU   9           HB2      GLU   9  -5.704 -12.205  -6.004
   57   2HB   GLU   9           HB1      GLU   9  -4.913 -13.777  -6.129
   58   1HG   GLU   9           HG2      GLU   9  -7.599 -14.444  -6.078
   59   2HG   GLU   9           HG1      GLU   9  -7.579 -12.959  -7.030
   60    H    ALA  10           HN       ALA  10  -5.575 -11.140  -3.613
   61    HA   ALA  10           HA       ALA  10  -2.818 -11.410  -2.931
   62   1HB   ALA  10           HB1      ALA  10  -4.916  -9.428  -2.005
   63   2HB   ALA  10           HB3      ALA  10  -3.200  -9.280  -1.626
   64   3HB   ALA  10           HB2      ALA  10  -3.742  -9.209  -3.302
   65    H    ARG  11           HN       ARG  11  -5.694 -12.324  -1.241
   66    HA   ARG  11           HA       ARG  11  -4.436 -12.368   1.404
   67   1HB   ARG  11           HB2      ARG  11  -7.074 -12.488   0.430
   68   2HB   ARG  11           HB1      ARG  11  -6.776 -14.063   1.170
   69   1HG   ARG  11           HG2      ARG  11  -7.369 -12.940   3.078
   70   2HG   ARG  11           HG1      ARG  11  -5.668 -12.476   3.052
   71   1HD   ARG  11           HD2      ARG  11  -6.945 -10.644   1.352
   72   2HD   ARG  11           HD1      ARG  11  -8.022 -10.808   2.739
   73    HE   ARG  11           HE       ARG  11  -5.706 -10.450   4.032
   74   1HH1  ARG  11          HH11      ARG  11  -5.580  -9.398   0.887
   75   2HH1  ARG  11          HH12      ARG  11  -5.320  -7.725   1.252
   76   1HH2  ARG  11          HH21      ARG  11  -5.941  -8.094   4.644
   77   2HH2  ARG  11          HH22      ARG  11  -5.522  -6.988   3.379
   78    H    ALA  12           HN       ALA  12  -5.423 -14.797  -1.019
   79    HA   ALA  12           HA       ALA  12  -4.650 -17.127   0.336
   80   1HB   ALA  12           HB3      ALA  12  -5.654 -16.752  -2.079
   81   2HB   ALA  12           HB2      ALA  12  -3.962 -16.828  -2.571
   82   3HB   ALA  12           HB1      ALA  12  -4.700 -18.195  -1.735
   83    H    PHE  13           HN       PHE  13  -2.595 -15.277  -1.949
   84    HA   PHE  13           HA       PHE  13  -0.189 -16.672  -1.356
   85   1HB   PHE  13           HB2      PHE  13  -0.755 -14.907  -3.224
   86   2HB   PHE  13           HB1      PHE  13  -0.163 -13.746  -2.035
   87    HD1  PHE  13           HD1      PHE  13   0.730 -16.647  -4.136
   88    HD2  PHE  13           HD2      PHE  13   2.172 -13.692  -1.373
   89    HE1  PHE  13           HE1      PHE  13   3.066 -17.236  -4.726
   90    HE2  PHE  13           HE2      PHE  13   4.508 -14.282  -1.962
   91    HZ   PHE  13           HZ       PHE  13   4.955 -16.053  -3.640
   92    H    LEU  14           HN       LEU  14  -1.376 -13.549  -0.060
   93    HA   LEU  14           HA       LEU  14   0.747 -13.513   1.959
   94   1HB   LEU  14           HB2      LEU  14  -1.711 -11.750   1.755
   95   2HB   LEU  14           HB1      LEU  14  -0.244 -11.417   2.676
   96    HG   LEU  14           HG       LEU  14  -0.424 -11.684  -0.339
   97   1HD1  LEU  14          HD11      LEU  14  -1.342  -9.575   0.816
   98   2HD1  LEU  14          HD13      LEU  14   0.329  -9.243   1.274
   99   3HD1  LEU  14          HD12      LEU  14  -0.118  -9.331  -0.429
  100   1HD2  LEU  14          HD23      LEU  14   1.770 -12.023   1.462
  101   2HD2  LEU  14          HD22      LEU  14   1.806 -12.001  -0.302
  102   3HD2  LEU  14          HD21      LEU  14   2.007 -10.500   0.602
  103    H    SER  15           HN       SER  15   0.137 -15.618   2.945
  104    HA   SER  15           HA       SER  15  -2.273 -16.358   4.080
  105   1HB   SER  15           HB2      SER  15   0.409 -16.575   5.476
  106   2HB   SER  15           HB1      SER  15  -1.007 -17.579   5.773
  107    HG   SER  15           HG       SER  15  -0.829 -18.069   3.429
  108    H    GLU  16           HN       GLU  16  -3.011 -16.168   6.397
  109    HA   GLU  16           HA       GLU  16  -3.591 -13.565   7.167
  110   1HB   GLU  16           HB2      GLU  16  -4.083 -16.066   8.226
  111   2HB   GLU  16           HB1      GLU  16  -3.092 -15.313   9.477
  112   1HG   GLU  16           HG2      GLU  16  -5.231 -14.606  10.088
  113   2HG   GLU  16           HG1      GLU  16  -4.677 -13.252   9.100
  114    H    GLU  17           HN       GLU  17  -0.826 -15.528   8.296
  115    HA   GLU  17           HA       GLU  17   0.353 -13.792  10.108
  116   1HB   GLU  17           HB2      GLU  17   2.566 -14.681   9.282
  117   2HB   GLU  17           HB1      GLU  17   1.375 -15.933   9.634
  118   1HG   GLU  17           HG2      GLU  17   0.732 -15.728   7.128
  119   2HG   GLU  17           HG1      GLU  17   2.282 -14.906   6.949
  120    H    MET  18           HN       MET  18   0.705 -13.667   6.555
  121    HA   MET  18           HA       MET  18   2.473 -11.495   6.364
  122   1HB   MET  18           HB2      MET  18   0.291 -12.566   4.624
  123   2HB   MET  18           HB1      MET  18   0.975 -10.990   4.222
  124   1HG   MET  18           HG2      MET  18   2.770 -13.340   4.801
  125   2HG   MET  18           HG1      MET  18   2.084 -13.105   3.193
  126   1HE   MET  18           HE2      MET  18   3.956 -12.960   1.979
  127   2HE   MET  18           HE1      MET  18   5.212 -11.726   1.969
  128   3HE   MET  18           HE3      MET  18   5.265 -13.036   3.157
  129    H    ILE  19           HN       ILE  19  -1.087 -11.184   6.029
  130    HA   ILE  19           HA       ILE  19  -1.202  -8.386   6.221
  131    HB   ILE  19           HB       ILE  19  -3.230 -10.315   7.387
  132   1HG1  ILE  19          HG12      ILE  19  -4.121  -9.576   4.885
  133   2HG1  ILE  19          HG11      ILE  19  -2.384  -9.749   4.623
  134   1HG2  ILE  19          HG21      ILE  19  -3.230  -7.634   7.624
  135   2HG2  ILE  19          HG23      ILE  19  -3.960  -7.768   6.024
  136   3HG2  ILE  19          HG22      ILE  19  -4.715  -8.559   7.408
  137   1HD1  ILE  19          HD12      ILE  19  -3.469 -11.902   6.272
  138   2HD1  ILE  19          HD11      ILE  19  -4.234 -11.826   4.685
  139   3HD1  ILE  19          HD13      ILE  19  -2.483 -11.997   4.813
  140    H    ALA  20           HN       ALA  20  -0.476 -10.692   8.691
  141    HA   ALA  20           HA       ALA  20  -1.210  -9.009  10.943
  142   1HB   ALA  20           HB1      ALA  20  -0.846 -11.593  10.863
  143   2HB   ALA  20           HB3      ALA  20   0.859 -11.191  11.077
  144   3HB   ALA  20           HB2      ALA  20  -0.321 -10.708  12.295
  145    H    GLU  21           HN       GLU  21   1.806  -9.653   9.167
  146    HA   GLU  21           HA       GLU  21   3.332  -7.865  10.927
  147   1HB   GLU  21           HB2      GLU  21   3.969  -9.499   8.480
  148   2HB   GLU  21           HB1      GLU  21   5.103  -8.279   9.058
  149   1HG   GLU  21           HG2      GLU  21   3.969 -10.213  11.040
  150   2HG   GLU  21           HG1      GLU  21   5.232 -10.778   9.946
  151    H    PHE  22           HN       PHE  22   1.481  -7.586   8.018
  152    HA   PHE  22           HA       PHE  22   2.831  -5.168   7.075
  153   1HB   PHE  22           HB2      PHE  22   0.467  -6.790   6.241
  154   2HB   PHE  22           HB1      PHE  22   0.510  -5.101   5.738
  155    HD1  PHE  22           HD2      PHE  22   3.295  -4.527   5.263
  156    HD2  PHE  22           HD1      PHE  22   1.104  -8.127   4.433
  157    HE1  PHE  22           HE2      PHE  22   4.914  -5.099   3.472
  158    HE2  PHE  22           HE1      PHE  22   2.722  -8.699   2.642
  159    HZ   PHE  22           HZ       PHE  22   4.626  -7.184   2.161
  160    H    LYS  23           HN       LYS  23   0.367  -5.927   9.363
  161    HA   LYS  23           HA       LYS  23  -1.135  -3.494   9.295
  162   1HB   LYS  23           HB2      LYS  23  -1.395  -5.803  10.665
  163   2HB   LYS  23           HB1      LYS  23  -0.670  -4.805  11.926
  164   1HG   LYS  23           HG2      LYS  23  -2.563  -3.605  12.198
  165   2HG   LYS  23           HG1      LYS  23  -2.763  -3.388  10.459
  166   1HD   LYS  23           HD2      LYS  23  -4.649  -4.670  11.323
  167   2HD   LYS  23           HD1      LYS  23  -3.652  -5.717  10.313
  168   1HE   LYS  23           HE2      LYS  23  -2.907  -5.627  13.179
  169   2HE   LYS  23           HE1      LYS  23  -4.457  -6.388  12.820
  170   1HZ   LYS  23           HZ1      LYS  23  -2.767  -7.356  10.909
  171   2HZ   LYS  23           HZ3      LYS  23  -1.811  -7.336  12.311
  172   3HZ   LYS  23           HZ2      LYS  23  -3.283  -8.183  12.301
  173    H    ALA  24           HN       ALA  24   1.646  -4.453  11.335
  174    HA   ALA  24           HA       ALA  24   1.875  -1.725  12.389
  175   1HB   ALA  24           HB2      ALA  24   3.423  -4.284  12.781
  176   2HB   ALA  24           HB1      ALA  24   4.024  -2.750  13.408
  177   3HB   ALA  24           HB3      ALA  24   2.475  -3.382  13.963
  178    H    ALA  25           HN       ALA  25   2.540  -2.887   9.451
  179    HA   ALA  25           HA       ALA  25   5.258  -1.763   9.164
  180   1HB   ALA  25           HB3      ALA  25   3.377  -2.984   7.117
  181   2HB   ALA  25           HB2      ALA  25   5.049  -2.511   6.811
  182   3HB   ALA  25           HB1      ALA  25   4.695  -3.822   7.936
  183    H    PHE  26           HN       PHE  26   2.259  -1.301   7.258
  184    HA   PHE  26           HA       PHE  26   3.088   1.370   6.457
  185   1HB   PHE  26           HB2      PHE  26   1.247  -0.507   5.533
  186   2HB   PHE  26           HB1      PHE  26   0.246   0.814   6.140
  187    HD1  PHE  26           HD2      PHE  26   3.077  -0.006   3.870
  188    HD2  PHE  26           HD1      PHE  26   0.145   2.912   5.021
  189    HE1  PHE  26           HE2      PHE  26   3.650   1.355   1.879
  190    HE2  PHE  26           HE1      PHE  26   0.722   4.271   3.035
  191    HZ   PHE  26           HZ       PHE  26   2.472   3.496   1.461
  192    H    ASP  27           HN       ASP  27   1.315   0.047   9.125
  193    HA   ASP  27           HA       ASP  27  -0.022   2.584   9.768
  194   1HB   ASP  27           HB2      ASP  27  -0.698   0.049  10.334
  195   2HB   ASP  27           HB1      ASP  27   0.229   0.407  11.791
  196    H    MET  28           HN       MET  28   3.105   1.741   9.877
  197    HA   MET  28           HA       MET  28   4.049   2.168  12.482
  198   1HB   MET  28           HB2      MET  28   5.147   2.180   9.840
  199   2HB   MET  28           HB1      MET  28   5.762   3.593  10.698
  200   1HG   MET  28           HG2      MET  28   5.746   1.270  12.432
  201   2HG   MET  28           HG1      MET  28   6.666   0.947  10.964
  202   1HE   MET  28           HE1      MET  28   8.855   1.574  10.524
  203   2HE   MET  28           HE3      MET  28   8.236   3.134   9.961
  204   3HE   MET  28           HE2      MET  28   9.659   3.068  10.996
  205    H    PHE  29           HN       PHE  29   3.140   4.591  10.032
  206    HA   PHE  29           HA       PHE  29   3.706   6.786  11.912
  207   1HB   PHE  29           HB2      PHE  29   3.889   6.709   9.245
  208   2HB   PHE  29           HB1      PHE  29   2.209   7.235   9.367
  209    HD1  PHE  29           HD1      PHE  29   5.394   7.958  11.224
  210    HD2  PHE  29           HD2      PHE  29   1.941   9.539   9.216
  211    HE1  PHE  29           HE1      PHE  29   6.152  10.264  11.734
  212    HE2  PHE  29           HE2      PHE  29   2.699  11.844   9.727
  213    HZ   PHE  29           HZ       PHE  29   4.804  12.207  10.986
  214    H    ASP  30           HN       ASP  30   0.796   6.148   9.935
  215    HA   ASP  30           HA       ASP  30  -0.921   7.456  11.863
  216   1HB   ASP  30           HB2      ASP  30  -1.202   6.158   9.242
  217   2HB   ASP  30           HB1      ASP  30  -2.594   5.914  10.297
  218    H    ALA  31           HN       ALA  31  -0.869   6.434  13.870
  219    HA   ALA  31           HA       ALA  31  -2.006   3.678  13.923
  220   1HB   ALA  31           HB2      ALA  31   0.514   4.670  15.235
  221   2HB   ALA  31           HB1      ALA  31  -0.418   3.373  15.984
  222   3HB   ALA  31           HB3      ALA  31   0.239   3.164  14.360
  223    H    ASP  32           HN       ASP  32  -2.668   6.704  14.622
  224    HA   ASP  32           HA       ASP  32  -4.219   5.974  17.038
  225   1HB   ASP  32           HB2      ASP  32  -3.526   8.126  18.143
  226   2HB   ASP  32           HB1      ASP  32  -2.220   6.949  18.002
  227    H    GLY  33           HN       GLY  33  -5.324   6.252  14.562
  228   1HA   GLY  33           HA2      GLY  33  -7.169   8.449  14.948
  229   2HA   GLY  33           HA1      GLY  33  -6.067   8.766  13.607
  230    H    GLY  34           HN       GLY  34  -5.875   6.838  12.022
  231   1HA   GLY  34           HA2      GLY  34  -8.358   5.237  11.840
  232   2HA   GLY  34           HA1      GLY  34  -8.032   6.355  10.514
  233    H    GLY  35           HN       GLY  35  -5.209   6.076  10.411
  234   1HA   GLY  35           HA2      GLY  35  -3.537   4.293  10.110
  235   2HA   GLY  35           HA1      GLY  35  -4.863   3.177   9.782
  236    H    ASP  36           HN       ASP  36  -3.388   6.163   8.486
  237    HA   ASP  36           HA       ASP  36  -3.247   5.074   5.821
  238   1HB   ASP  36           HB2      ASP  36  -4.886   6.697   4.796
  239   2HB   ASP  36           HB1      ASP  36  -5.637   5.429   5.768
  240    H    ILE  37           HN       ILE  37  -1.953   6.391   4.506
  241    HA   ILE  37           HA       ILE  37  -0.960   8.892   5.811
  242    HB   ILE  37           HB       ILE  37   0.991   8.305   4.023
  243   1HG1  ILE  37          HG12      ILE  37  -0.345   6.177   3.459
  244   2HG1  ILE  37          HG11      ILE  37   1.364   5.960   3.837
  245   1HG2  ILE  37          HG22      ILE  37   0.534   7.891   6.885
  246   2HG2  ILE  37          HG21      ILE  37   1.744   6.792   6.224
  247   3HG2  ILE  37          HG23      ILE  37   1.950   8.536   6.055
  248   1HD1  ILE  37          HD12      ILE  37  -0.377   5.882   6.204
  249   2HD1  ILE  37          HD11      ILE  37  -0.706   4.593   5.045
  250   3HD1  ILE  37          HD13      ILE  37   0.913   4.781   5.721
  251    H    SER  38           HN       SER  38  -0.872  10.762   4.552
  252    HA   SER  38           HA       SER  38  -2.584  10.836   2.209
  253   1HB   SER  38           HB2      SER  38  -0.911  13.182   2.472
  254   2HB   SER  38           HB1      SER  38  -2.652  13.033   2.687
  255    HG   SER  38           HG       SER  38  -2.381  12.827   4.782
  256    H    THR  39           HN       THR  39  -1.397  12.428   0.369
  257    HA   THR  39           HA       THR  39   0.451  10.602  -0.937
  258    HB   THR  39           HB       THR  39   0.579  12.795  -2.491
  259    HG1  THR  39           HG1      THR  39  -1.984  13.032  -1.373
  260   1HG2  THR  39          HG21      THR  39  -1.113  10.451  -2.289
  261   2HG2  THR  39          HG23      THR  39  -1.976  11.789  -3.044
  262   3HG2  THR  39          HG22      THR  39  -0.451  11.225  -3.729
  263    H    LYS  40           HN       LYS  40   0.739  13.623   0.856
  264    HA   LYS  40           HA       LYS  40   3.566  13.948   0.143
  265   1HB   LYS  40           HB2      LYS  40   1.879  15.826   0.717
  266   2HB   LYS  40           HB1      LYS  40   2.143  15.362   2.399
  267   1HG   LYS  40           HG2      LYS  40   4.656  15.613   0.941
  268   2HG   LYS  40           HG1      LYS  40   3.727  17.113   0.909
  269   1HD   LYS  40           HD2      LYS  40   3.989  15.628   3.501
  270   2HD   LYS  40           HD1      LYS  40   5.346  16.602   2.934
  271   1HE   LYS  40           HE2      LYS  40   2.952  18.124   2.574
  272   2HE   LYS  40           HE1      LYS  40   2.958  17.493   4.221
  273   1HZ   LYS  40           HZ2      LYS  40   5.408  18.682   3.110
  274   2HZ   LYS  40           HZ1      LYS  40   4.174  19.697   3.689
  275   3HZ   LYS  40           HZ3      LYS  40   4.903  18.573   4.728
  276    H    GLU  41           HN       GLU  41   1.841  12.033   2.323
  277    HA   GLU  41           HA       GLU  41   3.967  12.017   4.374
  278   1HB   GLU  41           HB2      GLU  41   1.478  10.297   4.178
  279   2HB   GLU  41           HB1      GLU  41   2.510  10.502   5.594
  280   1HG   GLU  41           HG2      GLU  41   1.269  12.913   4.298
  281   2HG   GLU  41           HG1      GLU  41   0.309  11.919   5.395
  282    H    LEU  42           HN       LEU  42   2.303   9.367   2.623
  283    HA   LEU  42           HA       LEU  42   4.420   7.506   2.976
  284   1HB   LEU  42           HB2      LEU  42   3.190   6.068   1.635
  285   2HB   LEU  42           HB1      LEU  42   1.933   7.196   2.132
  286    HG   LEU  42           HG       LEU  42   3.511   7.440  -0.452
  287   1HD1  LEU  42          HD12      LEU  42   2.108   5.409  -0.435
  288   2HD1  LEU  42          HD11      LEU  42   0.713   6.378   0.040
  289   3HD1  LEU  42          HD13      LEU  42   1.456   6.619  -1.541
  290   1HD2  LEU  42          HD22      LEU  42   2.316   9.463   0.756
  291   2HD2  LEU  42          HD21      LEU  42   2.109   9.233  -0.978
  292   3HD2  LEU  42          HD23      LEU  42   0.849   8.706   0.137
  293    H    GLY  43           HN       GLY  43   4.190  10.211   0.876
  294   1HA   GLY  43           HA2      GLY  43   6.025   9.197  -1.154
  295   2HA   GLY  43           HA1      GLY  43   5.494  10.871  -0.983
  296    H    THR  44           HN       THR  44   6.286  11.264   1.725
  297    HA   THR  44           HA       THR  44   9.157  11.684   1.302
  298    HB   THR  44           HB       THR  44   8.878  12.577   3.770
  299    HG1  THR  44           HG1      THR  44   6.901  11.864   4.290
  300   1HG2  THR  44          HG21      THR  44   9.175  13.913   1.648
  301   2HG2  THR  44          HG23      THR  44   7.417  13.964   1.508
  302   3HG2  THR  44          HG22      THR  44   8.215  14.720   2.887
  303    H    VAL  45           HN       VAL  45   7.131   9.363   2.886
  304    HA   VAL  45           HA       VAL  45   9.170   8.404   4.736
  305    HB   VAL  45           HB       VAL  45   6.730   6.911   3.741
  306   1HG1  VAL  45          HG13      VAL  45   8.834   6.312   5.577
  307   2HG1  VAL  45          HG12      VAL  45   7.356   6.546   6.510
  308   3HG1  VAL  45          HG11      VAL  45   7.402   5.349   5.216
  309   1HG2  VAL  45          HG21      VAL  45   6.664   9.399   4.911
  310   2HG2  VAL  45          HG23      VAL  45   5.372   8.205   5.030
  311   3HG2  VAL  45          HG22      VAL  45   6.572   8.337   6.316
  312    H    MET  46           HN       MET  46   7.978   7.471   1.529
  313    HA   MET  46           HA       MET  46   9.805   5.189   1.363
  314   1HB   MET  46           HB2      MET  46   7.575   6.244  -0.164
  315   2HB   MET  46           HB1      MET  46   8.931   5.868  -1.226
  316   1HG   MET  46           HG2      MET  46   9.049   3.646   0.170
  317   2HG   MET  46           HG1      MET  46   7.377   4.035   0.576
  318   1HE   MET  46           HE1      MET  46   6.061   5.230  -1.072
  319   2HE   MET  46           HE3      MET  46   6.494   5.401  -2.779
  320   3HE   MET  46           HE2      MET  46   5.365   4.147  -2.274
  321    H    ARG  47           HN       ARG  47   9.875   8.581   0.644
  322    HA   ARG  47           HA       ARG  47  12.032   8.476  -1.290
  323   1HB   ARG  47           HB2      ARG  47  10.348  10.479  -0.160
  324   2HB   ARG  47           HB1      ARG  47  12.016  10.965   0.134
  325   1HG   ARG  47           HG2      ARG  47  12.543  10.737  -2.247
  326   2HG   ARG  47           HG1      ARG  47  10.921  10.126  -2.569
  327   1HD   ARG  47           HD2      ARG  47  10.771  12.412  -3.135
  328   2HD   ARG  47           HD1      ARG  47  10.104  12.350  -1.503
  329    HE   ARG  47           HE       ARG  47  12.973  13.065  -1.938
  330   1HH1  ARG  47          HH11      ARG  47  10.441  13.047   0.248
  331   2HH1  ARG  47          HH12      ARG  47  10.636  14.688   0.766
  332   1HH2  ARG  47          HH21      ARG  47  12.967  15.462  -1.682
  333   2HH2  ARG  47          HH22      ARG  47  12.068  16.055  -0.325
  334    H    MET  48           HN       MET  48  11.871   7.962   2.050
  335    HA   MET  48           HA       MET  48  14.326   9.117   2.942
  336   1HB   MET  48           HB2      MET  48  12.361   7.202   3.946
  337   2HB   MET  48           HB1      MET  48  14.004   6.790   4.435
  338   1HG   MET  48           HG2      MET  48  14.314   9.137   5.229
  339   2HG   MET  48           HG1      MET  48  12.624   9.459   4.839
  340   1HE   MET  48           HE1      MET  48  10.717   9.016   6.217
  341   2HE   MET  48           HE3      MET  48  10.824   7.362   5.598
  342   3HE   MET  48           HE2      MET  48  10.532   7.649   7.312
  343    H    LEU  49           HN       LEU  49  13.970   5.591   2.828
  344    HA   LEU  49           HA       LEU  49  16.769   5.396   1.912
  345   1HB   LEU  49           HB2      LEU  49  16.540   3.009   2.404
  346   2HB   LEU  49           HB1      LEU  49  15.943   3.958   3.766
  347    HG   LEU  49           HG       LEU  49  13.836   3.475   1.824
  348   1HD1  LEU  49          HD13      LEU  49  15.652   1.284   2.322
  349   2HD1  LEU  49          HD12      LEU  49  14.075   0.924   3.023
  350   3HD1  LEU  49          HD11      LEU  49  14.208   1.314   1.309
  351   1HD2  LEU  49          HD21      LEU  49  14.091   3.936   4.525
  352   2HD2  LEU  49          HD23      LEU  49  12.613   3.376   3.741
  353   3HD2  LEU  49          HD22      LEU  49  13.711   2.214   4.487
  354    H    GLY  50           HN       GLY  50  14.133   6.023   0.231
  355   1HA   GLY  50           HA2      GLY  50  15.044   4.353  -2.057
  356   2HA   GLY  50           HA1      GLY  50  13.330   4.360  -1.651
  357    H    GLN  51           HN       GLN  51  14.535   7.324  -0.909
  358    HA   GLN  51           HA       GLN  51  13.563   9.346  -1.748
  359   1HB   GLN  51           HB2      GLN  51  15.999   9.416  -1.656
  360   2HB   GLN  51           HB1      GLN  51  16.074   8.815  -3.318
  361   1HG   GLN  51           HG2      GLN  51  14.669  10.743  -4.033
  362   2HG   GLN  51           HG1      GLN  51  14.760  11.373  -2.388
  363   1HE2  GLN  51          HE22      GLN  51  17.771  13.029  -3.147
  364   2HE2  GLN  51          HE21      GLN  51  16.261  13.061  -2.371
  365    H    ASN  52           HN       ASN  52  14.666   7.499  -4.659
  366    HA   ASN  52           HA       ASN  52  13.693   8.694  -6.780
  367   1HB   ASN  52           HB2      ASN  52  13.029   5.909  -5.903
  368   2HB   ASN  52           HB1      ASN  52  12.395   6.523  -7.430
  369   1HD2  ASN  52          HD22      ASN  52  16.253   5.376  -7.215
  370   2HD2  ASN  52          HD21      ASN  52  15.158   5.123  -5.944
  371    HA   PRO  53           HA       PRO  53   8.975   8.237  -5.772
  372   1HB   PRO  53           HB2      PRO  53   8.540   8.184  -3.029
  373   2HB   PRO  53           HB1      PRO  53   8.491   6.774  -4.097
  374   1HG   PRO  53           HG2      PRO  53  10.660   7.699  -2.273
  375   2HG   PRO  53           HG1      PRO  53  10.132   6.046  -2.649
  376   1HD   PRO  53           HD2      PRO  53  12.312   7.108  -3.766
  377   2HD   PRO  53           HD1      PRO  53  11.312   5.976  -4.653
  378    H    THR  54           HN       THR  54   7.512   9.914  -4.507
  379    HA   THR  54           HA       THR  54   8.839  12.240  -3.374
  380    HB   THR  54           HB       THR  54   7.697  12.492  -6.168
  381    HG1  THR  54           HG1      THR  54   9.704  12.388  -6.904
  382   1HG2  THR  54          HG23      THR  54   8.799  14.385  -4.152
  383   2HG2  THR  54          HG22      THR  54   9.156  14.690  -5.853
  384   3HG2  THR  54          HG21      THR  54   7.482  14.605  -5.304
  385    H    LYS  55           HN       LYS  55   7.130  14.115  -3.280
  386    HA   LYS  55           HA       LYS  55   4.730  13.114  -2.114
  387   1HB   LYS  55           HB2      LYS  55   5.557  15.358  -1.584
  388   2HB   LYS  55           HB1      LYS  55   5.331  15.857  -3.260
  389   1HG   LYS  55           HG2      LYS  55   2.866  15.184  -2.948
  390   2HG   LYS  55           HG1      LYS  55   3.215  15.166  -1.219
  391   1HD   LYS  55           HD2      LYS  55   3.861  17.488  -1.250
  392   2HD   LYS  55           HD1      LYS  55   3.787  17.539  -3.011
  393   1HE   LYS  55           HE2      LYS  55   1.303  16.615  -1.715
  394   2HE   LYS  55           HE1      LYS  55   1.733  18.288  -1.359
  395   1HZ   LYS  55           HZ3      LYS  55   2.089  18.517  -3.840
  396   2HZ   LYS  55           HZ2      LYS  55   1.271  17.036  -3.999
  397   3HZ   LYS  55           HZ1      LYS  55   0.483  18.377  -3.315
  398    H    GLU  56           HN       GLU  56   5.430  14.407  -5.343
  399    HA   GLU  56           HA       GLU  56   2.660  13.863  -6.190
  400   1HB   GLU  56           HB2      GLU  56   3.316  14.897  -8.306
  401   2HB   GLU  56           HB1      GLU  56   3.838  15.920  -6.968
  402   1HG   GLU  56           HG2      GLU  56   6.101  15.183  -7.160
  403   2HG   GLU  56           HG1      GLU  56   5.651  13.857  -8.234
  404    H    GLU  57           HN       GLU  57   5.838  12.434  -6.384
  405    HA   GLU  57           HA       GLU  57   5.330  10.714  -8.625
  406   1HB   GLU  57           HB2      GLU  57   7.590  11.234  -7.479
  407   2HB   GLU  57           HB1      GLU  57   7.139   9.975  -6.329
  408   1HG   GLU  57           HG2      GLU  57   6.785   9.265  -9.179
  409   2HG   GLU  57           HG1      GLU  57   8.457   9.493  -8.666
  410    H    LEU  58           HN       LEU  58   4.378  10.640  -5.286
  411    HA   LEU  58           HA       LEU  58   3.678   7.789  -5.305
  412   1HB   LEU  58           HB2      LEU  58   3.565  10.035  -3.349
  413   2HB   LEU  58           HB1      LEU  58   2.385   8.741  -3.139
  414    HG   LEU  58           HG       LEU  58   4.462   8.283  -1.871
  415   1HD1  LEU  58          HD13      LEU  58   3.129   6.569  -3.685
  416   2HD1  LEU  58          HD12      LEU  58   4.849   6.211  -3.846
  417   3HD1  LEU  58          HD11      LEU  58   4.070   6.101  -2.268
  418   1HD2  LEU  58          HD23      LEU  58   5.662   8.606  -4.621
  419   2HD2  LEU  58          HD22      LEU  58   6.175   9.342  -3.102
  420   3HD2  LEU  58          HD21      LEU  58   6.465   7.627  -3.394
  421    H    ASP  59           HN       ASP  59   2.281  10.696  -6.399
  422    HA   ASP  59           HA       ASP  59  -0.506   9.967  -6.014
  423   1HB   ASP  59           HB2      ASP  59   0.461  12.325  -6.405
  424   2HB   ASP  59           HB1      ASP  59   0.536  11.877  -8.109
  425    H    ALA  60           HN       ALA  60   1.928   9.414  -8.486
  426    HA   ALA  60           HA       ALA  60   0.156   8.619 -10.598
  427   1HB   ALA  60           HB1      ALA  60   2.913   8.883 -10.289
  428   2HB   ALA  60           HB3      ALA  60   2.682   7.153 -10.547
  429   3HB   ALA  60           HB2      ALA  60   2.085   8.309 -11.737
  430    H    ILE  61           HN       ILE  61   1.949   6.658  -8.194
  431    HA   ILE  61           HA       ILE  61   0.661   4.195  -9.007
  432    HB   ILE  61           HB       ILE  61   1.659   4.495  -6.211
  433   1HG1  ILE  61          HG12      ILE  61   3.980   4.036  -7.647
  434   2HG1  ILE  61          HG11      ILE  61   3.185   5.306  -8.580
  435   1HG2  ILE  61          HG21      ILE  61   1.289   2.443  -8.224
  436   2HG2  ILE  61          HG23      ILE  61   2.936   2.418  -7.596
  437   3HG2  ILE  61          HG22      ILE  61   1.570   2.267  -6.492
  438   1HD1  ILE  61          HD13      ILE  61   2.792   6.451  -6.286
  439   2HD1  ILE  61          HD12      ILE  61   4.037   5.352  -5.690
  440   3HD1  ILE  61          HD11      ILE  61   4.418   6.506  -6.968
  441    H    ILE  62           HN       ILE  62  -0.149   6.820  -6.883
  442    HA   ILE  62           HA       ILE  62  -2.214   5.344  -5.447
  443    HB   ILE  62           HB       ILE  62  -1.430   8.256  -5.598
  444   1HG1  ILE  62          HG12      ILE  62  -1.493   6.233  -3.337
  445   2HG1  ILE  62          HG11      ILE  62  -0.052   6.690  -4.244
  446   1HG2  ILE  62          HG21      ILE  62  -3.875   6.977  -4.394
  447   2HG2  ILE  62          HG23      ILE  62  -3.157   8.397  -3.634
  448   3HG2  ILE  62          HG22      ILE  62  -3.745   8.489  -5.294
  449   1HD1  ILE  62          HD13      ILE  62  -1.777   8.657  -2.720
  450   2HD1  ILE  62          HD12      ILE  62  -0.313   7.923  -2.067
  451   3HD1  ILE  62          HD11      ILE  62  -0.218   8.978  -3.478
  452    H    GLU  63           HN       GLU  63  -1.974   6.981  -8.465
  453    HA   GLU  63           HA       GLU  63  -4.751   7.746  -8.729
  454   1HB   GLU  63           HB2      GLU  63  -2.825   8.600 -10.154
  455   2HB   GLU  63           HB1      GLU  63  -2.846   7.040 -10.978
  456   1HG   GLU  63           HG2      GLU  63  -5.257   7.412 -11.525
  457   2HG   GLU  63           HG1      GLU  63  -5.136   9.021 -10.812
  458    H    GLU  64           HN       GLU  64  -2.909   4.815  -9.381
  459    HA   GLU  64           HA       GLU  64  -5.262   3.501 -10.595
  460   1HB   GLU  64           HB2      GLU  64  -3.756   1.599 -10.937
  461   2HB   GLU  64           HB1      GLU  64  -2.985   3.082 -11.504
  462   1HG   GLU  64           HG2      GLU  64  -1.972   3.220  -9.122
  463   2HG   GLU  64           HG1      GLU  64  -2.427   1.521  -8.986
  464    H    VAL  65           HN       VAL  65  -5.288   4.351  -7.721
  465    HA   VAL  65           HA       VAL  65  -6.308   1.841  -6.636
  466    HB   VAL  65           HB       VAL  65  -3.933   3.219  -5.337
  467   1HG1  VAL  65          HG11      VAL  65  -5.786   1.005  -4.442
  468   2HG1  VAL  65          HG13      VAL  65  -4.170   1.199  -3.764
  469   3HG1  VAL  65          HG12      VAL  65  -5.362   2.485  -3.583
  470   1HG2  VAL  65          HG23      VAL  65  -4.274   0.489  -6.619
  471   2HG2  VAL  65          HG22      VAL  65  -3.239   1.798  -7.191
  472   3HG2  VAL  65          HG21      VAL  65  -2.863   0.973  -5.678
  473    H    ASP  66           HN       ASP  66  -5.021   4.879  -5.335
  474    HA   ASP  66           HA       ASP  66  -6.190   5.991  -3.437
  475   1HB   ASP  66           HB2      ASP  66  -7.102   7.957  -4.628
  476   2HB   ASP  66           HB1      ASP  66  -5.549   7.450  -5.293
  477    H    GLU  67           HN       GLU  67  -7.680   3.899  -3.152
  478    HA   GLU  67           HA       GLU  67 -10.319   3.796  -4.119
  479   1HB   GLU  67           HB2      GLU  67  -9.322   2.039  -2.697
  480   2HB   GLU  67           HB1      GLU  67  -9.359   3.137  -1.317
  481   1HG   GLU  67           HG2      GLU  67 -11.303   1.515  -1.428
  482   2HG   GLU  67           HG1      GLU  67 -11.765   3.215  -1.343
  483    H    ASP  68           HN       ASP  68  -9.320   5.278  -1.007
  484    HA   ASP  68           HA       ASP  68 -11.809   6.564  -0.514
  485   1HB   ASP  68           HB2      ASP  68  -9.012   6.882   0.470
  486   2HB   ASP  68           HB1      ASP  68 -10.123   8.221   0.759
  487    H    GLY  69           HN       GLY  69  -9.255   7.331  -2.717
  488   1HA   GLY  69           HA2      GLY  69  -9.044   9.068  -4.279
  489   2HA   GLY  69           HA1      GLY  69 -10.765   9.370  -4.028
  490    H    SER  70           HN       SER  70  -7.884   9.658  -1.920
  491    HA   SER  70           HA       SER  70  -8.427  12.562  -1.658
  492   1HB   SER  70           HB2      SER  70  -9.623  11.107   0.169
  493   2HB   SER  70           HB1      SER  70  -8.005  10.948   0.846
  494    HG   SER  70           HG       SER  70  -8.023  13.001   1.378
  495    H    GLY  71           HN       GLY  71  -6.275  10.723  -2.746
  496   1HA   GLY  71           HA2      GLY  71  -3.929  10.749  -2.843
  497   2HA   GLY  71           HA1      GLY  71  -4.006  12.263  -1.941
  498    H    THR  72           HN       THR  72  -5.074   8.993  -1.004
  499    HA   THR  72           HA       THR  72  -2.887   8.786   0.951
  500    HB   THR  72           HB       THR  72  -4.173   9.885   2.510
  501    HG1  THR  72           HG1      THR  72  -4.612   8.291   3.774
  502   1HG2  THR  72          HG22      THR  72  -6.606   8.916   0.987
  503   2HG2  THR  72          HG21      THR  72  -6.672   9.914   2.440
  504   3HG2  THR  72          HG23      THR  72  -5.933  10.546   0.969
  505    H    ILE  73           HN       ILE  73  -2.744   6.629   1.848
  506    HA   ILE  73           HA       ILE  73  -4.588   4.633   0.618
  507    HB   ILE  73           HB       ILE  73  -1.567   4.367   0.689
  508   1HG1  ILE  73          HG12      ILE  73  -2.093   4.398  -1.914
  509   2HG1  ILE  73          HG11      ILE  73  -3.489   5.343  -1.395
  510   1HG2  ILE  73          HG21      ILE  73  -3.808   2.657  -0.418
  511   2HG2  ILE  73          HG23      ILE  73  -2.118   2.437  -0.869
  512   3HG2  ILE  73          HG22      ILE  73  -2.620   2.211   0.806
  513   1HD1  ILE  73          HD12      ILE  73  -1.358   6.415   0.059
  514   2HD1  ILE  73          HD11      ILE  73  -0.691   6.130  -1.549
  515   3HD1  ILE  73          HD13      ILE  73  -2.125   7.138  -1.354
  516    H    ASP  74           HN       ASP  74  -4.756   2.663   1.837
  517    HA   ASP  74           HA       ASP  74  -3.828   2.963   4.660
  518   1HB   ASP  74           HB2      ASP  74  -6.121   1.417   3.420
  519   2HB   ASP  74           HB1      ASP  74  -5.617   1.201   5.097
  520    H    PHE  75           HN       PHE  75  -3.974   0.342   5.513
  521    HA   PHE  75           HA       PHE  75  -1.634  -0.802   4.139
  522   1HB   PHE  75           HB2      PHE  75  -1.171  -1.835   6.120
  523   2HB   PHE  75           HB1      PHE  75  -2.320  -0.677   6.780
  524    HD1  PHE  75           HD2      PHE  75  -4.645  -1.359   7.293
  525    HD2  PHE  75           HD1      PHE  75  -1.733  -4.174   5.863
  526    HE1  PHE  75           HE2      PHE  75  -6.105  -3.234   8.004
  527    HE2  PHE  75           HE1      PHE  75  -3.194  -6.048   6.574
  528    HZ   PHE  75           HZ       PHE  75  -5.380  -5.577   7.645
  529    H    GLU  76           HN       GLU  76  -5.064  -1.303   4.321
  530    HA   GLU  76           HA       GLU  76  -4.875  -4.009   3.148
  531   1HB   GLU  76           HB2      GLU  76  -6.652  -3.183   4.868
  532   2HB   GLU  76           HB1      GLU  76  -7.424  -2.435   3.470
  533   1HG   GLU  76           HG2      GLU  76  -7.875  -4.481   2.451
  534   2HG   GLU  76           HG1      GLU  76  -6.581  -5.311   3.315
  535    H    GLU  77           HN       GLU  77  -4.850  -0.814   2.055
  536    HA   GLU  77           HA       GLU  77  -6.249  -1.380  -0.479
  537   1HB   GLU  77           HB2      GLU  77  -4.650   1.091   0.233
  538   2HB   GLU  77           HB1      GLU  77  -5.916   0.939  -0.986
  539   1HG   GLU  77           HG2      GLU  77  -6.556   0.311   1.879
  540   2HG   GLU  77           HG1      GLU  77  -6.486   1.995   1.358
  541    H    PHE  78           HN       PHE  78  -2.939  -0.360   0.470
  542    HA   PHE  78           HA       PHE  78  -1.908  -1.005  -2.177
  543   1HB   PHE  78           HB2      PHE  78   0.139  -0.168  -1.424
  544   2HB   PHE  78           HB1      PHE  78  -1.004   0.722  -0.422
  545    HD1  PHE  78           HD2      PHE  78  -1.786  -1.587   1.424
  546    HD2  PHE  78           HD1      PHE  78   2.027  -0.169   0.041
  547    HE1  PHE  78           HE2      PHE  78  -0.703  -2.506   3.458
  548    HE2  PHE  78           HE1      PHE  78   3.107  -1.088   2.077
  549    HZ   PHE  78           HZ       PHE  78   1.742  -2.259   3.783
  550    H    LEU  79           HN       LEU  79  -2.823  -2.887   0.427
  551    HA   LEU  79           HA       LEU  79  -0.777  -4.857   0.584
  552   1HB   LEU  79           HB2      LEU  79  -3.455  -4.524   1.541
  553   2HB   LEU  79           HB1      LEU  79  -3.329  -6.125   0.812
  554    HG   LEU  79           HG       LEU  79  -1.373  -5.018   2.846
  555   1HD1  LEU  79          HD13      LEU  79  -3.919  -5.665   3.439
  556   2HD1  LEU  79          HD12      LEU  79  -3.208  -7.279   3.471
  557   3HD1  LEU  79          HD11      LEU  79  -2.577  -6.017   4.530
  558   1HD2  LEU  79          HD21      LEU  79  -1.381  -7.302   1.063
  559   2HD2  LEU  79          HD23      LEU  79  -0.106  -6.750   2.148
  560   3HD2  LEU  79          HD22      LEU  79  -1.361  -7.837   2.744
  561    H    VAL  80           HN       VAL  80  -3.452  -4.418  -1.684
  562    HA   VAL  80           HA       VAL  80  -2.996  -6.957  -3.037
  563    HB   VAL  80           HB       VAL  80  -5.186  -5.613  -2.961
  564   1HG1  VAL  80          HG11      VAL  80  -3.716  -4.087  -5.134
  565   2HG1  VAL  80          HG13      VAL  80  -5.432  -3.927  -4.757
  566   3HG1  VAL  80          HG12      VAL  80  -4.220  -3.435  -3.575
  567   1HG2  VAL  80          HG22      VAL  80  -4.107  -7.373  -4.856
  568   2HG2  VAL  80          HG21      VAL  80  -5.811  -6.966  -4.659
  569   3HG2  VAL  80          HG23      VAL  80  -4.819  -6.075  -5.813
  570    H    MET  81           HN       MET  81  -1.804  -3.681  -3.343
  571    HA   MET  81           HA       MET  81  -0.730  -4.017  -6.021
  572   1HB   MET  81           HB2      MET  81  -1.185  -1.776  -5.218
  573   2HB   MET  81           HB1      MET  81  -0.130  -2.015  -3.824
  574   1HG   MET  81           HG2      MET  81   1.807  -2.268  -5.326
  575   2HG   MET  81           HG1      MET  81   0.757  -2.041  -6.724
  576   1HE   MET  81           HE3      MET  81   1.860  -0.628  -3.346
  577   2HE   MET  81           HE2      MET  81   1.366   1.062  -3.389
  578   3HE   MET  81           HE1      MET  81   0.143  -0.205  -3.325
  579    H    MET  82           HN       MET  82   0.355  -4.783  -2.801
  580    HA   MET  82           HA       MET  82   3.171  -5.031  -3.531
  581   1HB   MET  82           HB2      MET  82   1.565  -5.914  -1.121
  582   2HB   MET  82           HB1      MET  82   3.293  -6.226  -1.284
  583   1HG   MET  82           HG2      MET  82   3.097  -3.542  -1.923
  584   2HG   MET  82           HG1      MET  82   1.907  -3.725  -0.634
  585   1HE   MET  82           HE1      MET  82   5.278  -3.939  -1.946
  586   2HE   MET  82           HE3      MET  82   6.406  -4.099  -0.592
  587   3HE   MET  82           HE2      MET  82   5.585  -5.520  -1.232
  588    H    VAL  83           HN       VAL  83   0.408  -6.909  -4.082
  589    HA   VAL  83           HA       VAL  83   1.801  -9.501  -4.018
  590    HB   VAL  83           HB       VAL  83  -0.943  -8.836  -5.123
  591   1HG1  VAL  83          HG11      VAL  83   0.250 -11.040  -5.720
  592   2HG1  VAL  83          HG13      VAL  83   0.063 -11.460  -4.017
  593   3HG1  VAL  83          HG12      VAL  83  -1.362 -11.170  -5.015
  594   1HG2  VAL  83          HG23      VAL  83  -0.039  -8.641  -2.464
  595   2HG2  VAL  83          HG22      VAL  83  -1.716  -8.693  -3.007
  596   3HG2  VAL  83          HG21      VAL  83  -0.890 -10.184  -2.554
  597    H    ARG  84           HN       ARG  84   0.667  -7.157  -6.424
  598    HA   ARG  84           HA       ARG  84   1.099  -8.680  -8.768
  599   1HB   ARG  84           HB2      ARG  84   1.154  -5.755  -8.123
  600   2HB   ARG  84           HB1      ARG  84   1.755  -6.280  -9.696
  601   1HG   ARG  84           HG2      ARG  84  -0.362  -6.448 -10.428
  602   2HG   ARG  84           HG1      ARG  84  -0.666  -7.690  -9.213
  603   1HD   ARG  84           HD2      ARG  84  -0.962  -5.718  -7.562
  604   2HD   ARG  84           HD1      ARG  84  -1.117  -4.717  -9.005
  605    HE   ARG  84           HE       ARG  84  -3.047  -6.763  -8.107
  606   1HH1  ARG  84          HH11      ARG  84  -3.193  -7.366 -10.833
  607   2HH1  ARG  84          HH12      ARG  84  -4.129  -6.101 -11.555
  608   1HH2  ARG  84          HH21      ARG  84  -3.710  -3.912  -8.898
  609   2HH2  ARG  84          HH22      ARG  84  -4.422  -4.146 -10.459
  610    H    GLN  85           HN       GLN  85   3.323  -6.009  -8.205
  611    HA   GLN  85           HA       GLN  85   5.547  -7.724  -9.105
  612   1HB   GLN  85           HB2      GLN  85   5.367  -4.761  -8.486
  613   2HB   GLN  85           HB1      GLN  85   6.835  -5.563  -9.042
  614   1HG   GLN  85           HG2      GLN  85   5.139  -6.464 -10.922
  615   2HG   GLN  85           HG1      GLN  85   4.334  -4.943 -10.534
  616   1HE2  GLN  85          HE22      GLN  85   8.024  -4.868 -12.326
  617   2HE2  GLN  85          HE21      GLN  85   7.468  -6.302 -11.610
  618    H    MET  86           HN       MET  86   5.170  -8.943  -6.922
  619    HA   MET  86           HA       MET  86   6.081  -7.661  -4.494
  620   1HB   MET  86           HB2      MET  86   6.051  -9.896  -3.530
  621   2HB   MET  86           HB1      MET  86   4.621  -9.702  -4.543
  622   1HG   MET  86           HG2      MET  86   5.666 -10.925  -6.357
  623   2HG   MET  86           HG1      MET  86   7.198 -10.987  -5.487
  624   1HE   MET  86           HE3      MET  86   3.413 -11.903  -5.333
  625   2HE   MET  86           HE2      MET  86   3.333 -12.881  -3.870
  626   3HE   MET  86           HE1      MET  86   3.770 -11.178  -3.758
  627    H    LYS  87           HN       LYS  87   7.620  -9.618  -7.016
  628    HA   LYS  87           HA       LYS  87  10.141  -9.923  -5.671
  629   1HB   LYS  87           HB2      LYS  87  11.033 -10.437  -7.922
  630   2HB   LYS  87           HB1      LYS  87   9.519 -11.293  -7.627
  631   1HG   LYS  87           HG2      LYS  87   8.534  -9.021  -8.702
  632   2HG   LYS  87           HG1      LYS  87  10.099  -9.074  -9.516
  633   1HD   LYS  87           HD2      LYS  87   9.631 -11.098 -10.578
  634   2HD   LYS  87           HD1      LYS  87   8.427 -11.564  -9.376
  635   1HE   LYS  87           HE2      LYS  87   6.864 -10.821 -10.824
  636   2HE   LYS  87           HE1      LYS  87   7.424  -9.192 -10.446
  637   1HZ   LYS  87           HZ1      LYS  87   9.246 -10.163 -12.243
  638   2HZ   LYS  87           HZ3      LYS  87   7.753 -10.706 -12.839
  639   3HZ   LYS  87           HZ2      LYS  87   8.007  -9.047 -12.568
  640    H    GLU  88           HN       GLU  88   8.775  -7.407  -7.748
  641    HA   GLU  88           HA       GLU  88  11.104  -5.890  -8.243
  642   1HB   GLU  88           HB2      GLU  88   8.924  -5.322  -9.238
  643   2HB   GLU  88           HB1      GLU  88   8.298  -4.893  -7.646
  644   1HG   GLU  88           HG2      GLU  88   9.287  -2.861  -7.694
  645   2HG   GLU  88           HG1      GLU  88  10.814  -3.535  -8.266
  646    H    ASP  89           HN       ASP  89   8.998  -6.025  -5.399
  647    HA   ASP  89           HA       ASP  89  11.005  -5.477  -3.509
  648   1HB   ASP  89           HB2      ASP  89  11.216  -3.267  -4.589
  649   2HB   ASP  89           HB1      ASP  89   9.494  -2.976  -4.333
  650    H    ALA  90           HN       ALA  90   9.794  -6.902  -2.231
  651    HA   ALA  90           HA       ALA  90   7.483  -5.721  -0.859
  652   1HB   ALA  90           HB1      ALA  90   7.204  -8.268  -2.479
  653   2HB   ALA  90           HB3      ALA  90   6.002  -7.665  -1.337
  654   3HB   ALA  90           HB2      ALA  90   6.381  -6.740  -2.791
   
  No H/Q in entry =         654
  Start of MODEL   22
    1   1H    ALA   1           HT2      ALA   1 -14.078  -2.774  -5.456
    2   2H    ALA   1           HT1      ALA   1 -13.314  -2.212  -6.866
    3   3H    ALA   1           HT3      ALA   1 -14.247  -3.628  -6.914
    4    HA   ALA   1           HA       ALA   1 -12.675  -4.898  -5.859
    5   1HB   ALA   1           HB3      ALA   1 -11.664  -2.966  -7.809
    6   2HB   ALA   1           HB2      ALA   1 -10.397  -3.569  -6.739
    7   3HB   ALA   1           HB1      ALA   1 -11.361  -4.700  -7.689
    8    H    SER   2           HN       SER   2 -13.119  -4.238  -3.585
    9    HA   SER   2           HA       SER   2 -10.846  -2.630  -2.487
   10   1HB   SER   2           HB2      SER   2 -12.668  -2.340  -0.541
   11   2HB   SER   2           HB1      SER   2 -12.588  -1.235  -1.910
   12    HG   SER   2           HG       SER   2 -14.475  -3.125  -1.247
   13    H    MET   3           HN       MET   3 -13.384  -4.809  -1.206
   14    HA   MET   3           HA       MET   3 -11.191  -6.395   0.073
   15   1HB   MET   3           HB2      MET   3 -13.400  -5.017   1.277
   16   2HB   MET   3           HB1      MET   3 -13.628  -6.752   1.503
   17   1HG   MET   3           HG2      MET   3 -11.987  -6.825   3.041
   18   2HG   MET   3           HG1      MET   3 -10.857  -6.045   1.935
   19   1HE   MET   3           HE1      MET   3  -9.758  -4.517   2.387
   20   2HE   MET   3           HE3      MET   3 -10.192  -2.884   2.909
   21   3HE   MET   3           HE2      MET   3  -9.703  -4.090   4.096
   22    H    THR   4           HN       THR   4 -12.908  -6.643  -2.494
   23    HA   THR   4           HA       THR   4 -14.347  -9.162  -1.937
   24    HB   THR   4           HB       THR   4 -15.585  -7.825  -3.413
   25    HG1  THR   4           HG1      THR   4 -15.754  -9.496  -4.652
   26   1HG2  THR   4          HG21      THR   4 -12.894  -7.019  -4.367
   27   2HG2  THR   4          HG23      THR   4 -14.174  -7.030  -5.581
   28   3HG2  THR   4          HG22      THR   4 -14.345  -6.045  -4.128
   29    H    ASP   5           HN       ASP   5 -12.824  -8.904  -5.048
   30    HA   ASP   5           HA       ASP   5 -11.265 -11.330  -4.436
   31   1HB   ASP   5           HB2      ASP   5 -12.674 -11.135  -6.512
   32   2HB   ASP   5           HB1      ASP   5 -11.570  -9.883  -7.079
   33    H    GLN   6           HN       GLN   6 -10.678  -8.045  -5.729
   34    HA   GLN   6           HA       GLN   6  -7.911  -8.215  -6.139
   35   1HB   GLN   6           HB2      GLN   6  -9.493  -6.213  -6.533
   36   2HB   GLN   6           HB1      GLN   6  -9.183  -5.799  -4.847
   37   1HG   GLN   6           HG2      GLN   6  -7.451  -4.625  -5.799
   38   2HG   GLN   6           HG1      GLN   6  -6.647  -6.186  -5.645
   39   1HE2  GLN   6          HE22      GLN   6  -6.022  -6.103  -9.112
   40   2HE2  GLN   6          HE21      GLN   6  -5.385  -6.259  -7.547
   41    H    GLN   7           HN       GLN   7  -9.680  -7.788  -3.113
   42    HA   GLN   7           HA       GLN   7  -7.221  -7.474  -1.552
   43   1HB   GLN   7           HB2      GLN   7  -8.897  -6.339  -0.459
   44   2HB   GLN   7           HB1      GLN   7 -10.152  -7.425  -1.044
   45   1HG   GLN   7           HG2      GLN   7  -8.198  -8.609   0.858
   46   2HG   GLN   7           HG1      GLN   7  -9.296  -7.401   1.526
   47   1HE2  GLN   7          HE22      GLN   7 -11.510 -10.231  -0.368
   48   2HE2  GLN   7          HE21      GLN   7 -10.436  -9.239  -1.227
   49    H    ALA   8           HN       ALA   8  -9.340 -10.070  -2.546
   50    HA   ALA   8           HA       ALA   8  -8.300 -11.958  -0.563
   51   1HB   ALA   8           HB2      ALA   8 -10.085 -12.236  -2.986
   52   2HB   ALA   8           HB1      ALA   8  -9.544 -13.632  -2.054
   53   3HB   ALA   8           HB3      ALA   8 -10.528 -12.387  -1.286
   54    H    GLU   9           HN       GLU   9  -6.938 -10.586  -3.245
   55    HA   GLU   9           HA       GLU   9  -5.651 -13.027  -4.282
   56   1HB   GLU   9           HB2      GLU   9  -5.699 -10.133  -5.034
   57   2HB   GLU   9           HB1      GLU   9  -4.310 -11.097  -5.540
   58   1HG   GLU   9           HG2      GLU   9  -6.235 -12.809  -6.249
   59   2HG   GLU   9           HG1      GLU   9  -7.171 -11.319  -6.360
   60    H    ALA  10           HN       ALA  10  -4.404  -9.930  -2.977
   61    HA   ALA  10           HA       ALA  10  -1.769 -10.873  -2.499
   62   1HB   ALA  10           HB3      ALA  10  -2.437  -8.477  -2.477
   63   2HB   ALA  10           HB2      ALA  10  -3.283  -8.748  -0.954
   64   3HB   ALA  10           HB1      ALA  10  -1.531  -8.927  -1.034
   65    H    ARG  11           HN       ARG  11  -4.626 -10.833  -0.372
   66    HA   ARG  11           HA       ARG  11  -3.462 -11.685   2.027
   67   1HB   ARG  11           HB2      ARG  11  -6.137 -12.319   0.776
   68   2HB   ARG  11           HB1      ARG  11  -5.699 -12.907   2.381
   69   1HG   ARG  11           HG2      ARG  11  -4.993 -10.177   2.354
   70   2HG   ARG  11           HG1      ARG  11  -6.582 -10.266   1.594
   71   1HD   ARG  11           HD2      ARG  11  -5.810 -11.395   4.299
   72   2HD   ARG  11           HD1      ARG  11  -6.880 -10.026   3.996
   73    HE   ARG  11           HE       ARG  11  -8.220 -11.918   2.662
   74   1HH1  ARG  11          HH21      ARG  11  -8.011 -11.258   5.849
   75   2HH1  ARG  11          HH22      ARG  11  -8.373 -12.850   6.431
   76   1HH2  ARG  11          HH11      ARG  11  -8.060 -14.346   3.318
   77   2HH2  ARG  11          HH12      ARG  11  -8.401 -14.597   4.998
   78    H    ALA  12           HN       ALA  12  -4.376 -13.655  -0.790
   79    HA   ALA  12           HA       ALA  12  -4.077 -16.232   0.183
   80   1HB   ALA  12           HB3      ALA  12  -4.594 -15.722  -2.179
   81   2HB   ALA  12           HB2      ALA  12  -2.933 -15.181  -2.423
   82   3HB   ALA  12           HB1      ALA  12  -3.264 -16.874  -2.055
   83    H    PHE  13           HN       PHE  13  -1.301 -14.817  -1.551
   84    HA   PHE  13           HA       PHE  13   0.657 -16.468  -0.416
   85   1HB   PHE  13           HB2      PHE  13   1.188 -15.022  -2.290
   86   2HB   PHE  13           HB1      PHE  13   0.893 -13.583  -1.314
   87    HD1  PHE  13           HD1      PHE  13   2.578 -16.671  -0.136
   88    HD2  PHE  13           HD2      PHE  13   3.081 -12.596  -1.400
   89    HE1  PHE  13           HE1      PHE  13   4.930 -16.719   0.647
   90    HE2  PHE  13           HE2      PHE  13   5.434 -12.644  -0.618
   91    HZ   PHE  13           HZ       PHE  13   6.358 -14.705   0.407
   92    H    LEU  14           HN       LEU  14  -0.764 -13.511   0.894
   93    HA   LEU  14           HA       LEU  14   1.095 -13.475   3.166
   94   1HB   LEU  14           HB2      LEU  14  -1.460 -11.881   2.868
   95   2HB   LEU  14           HB1      LEU  14  -0.047 -11.489   3.850
   96    HG   LEU  14           HG       LEU  14   0.333 -11.860   0.904
   97   1HD1  LEU  14          HD13      LEU  14  -1.686 -10.237   1.628
   98   2HD1  LEU  14          HD12      LEU  14  -0.339  -9.124   1.873
   99   3HD1  LEU  14          HD11      LEU  14  -0.604  -9.854   0.290
  100   1HD2  LEU  14          HD23      LEU  14   1.580 -10.284   3.154
  101   2HD2  LEU  14          HD22      LEU  14   2.339 -11.461   2.082
  102   3HD2  LEU  14          HD21      LEU  14   1.904  -9.865   1.472
  103    H    SER  15           HN       SER  15   0.562 -15.672   3.933
  104    HA   SER  15           HA       SER  15  -2.013 -16.526   4.735
  105   1HB   SER  15           HB2      SER  15   0.392 -17.704   4.759
  106   2HB   SER  15           HB1      SER  15   0.319 -17.244   6.457
  107    HG   SER  15           HG       SER  15  -0.907 -19.256   5.219
  108    H    GLU  16           HN       GLU  16  -2.073 -17.026   7.415
  109    HA   GLU  16           HA       GLU  16  -2.835 -14.468   8.514
  110   1HB   GLU  16           HB2      GLU  16  -3.650 -16.922   9.075
  111   2HB   GLU  16           HB1      GLU  16  -2.340 -16.860  10.254
  112   1HG   GLU  16           HG2      GLU  16  -3.324 -15.125  11.461
  113   2HG   GLU  16           HG1      GLU  16  -4.267 -14.565  10.080
  114    H    GLU  17           HN       GLU  17   0.113 -16.299   8.514
  115    HA   GLU  17           HA       GLU  17   1.295 -15.147  10.877
  116   1HB   GLU  17           HB2      GLU  17   1.999 -17.167   9.197
  117   2HB   GLU  17           HB1      GLU  17   3.088 -15.896   8.638
  118   1HG   GLU  17           HG2      GLU  17   4.189 -15.749  10.679
  119   2HG   GLU  17           HG1      GLU  17   2.806 -16.366  11.585
  120    H    MET  18           HN       MET  18   0.668 -13.884   7.739
  121    HA   MET  18           HA       MET  18   2.800 -11.850   7.942
  122   1HB   MET  18           HB2      MET  18   1.466 -13.049   5.801
  123   2HB   MET  18           HB1      MET  18   0.838 -11.401   5.841
  124   1HG   MET  18           HG2      MET  18   2.732 -10.880   4.694
  125   2HG   MET  18           HG1      MET  18   3.510 -10.974   6.274
  126   1HE   MET  18           HE3      MET  18   3.860 -11.323   3.183
  127   2HE   MET  18           HE2      MET  18   5.309 -12.318   3.084
  128   3HE   MET  18           HE1      MET  18   3.760 -12.979   2.571
  129    H    ILE  19           HN       ILE  19  -0.612 -11.384   7.027
  130    HA   ILE  19           HA       ILE  19  -0.949  -8.771   7.807
  131    HB   ILE  19           HB       ILE  19  -3.014 -10.878   8.475
  132   1HG1  ILE  19          HG12      ILE  19  -3.537  -9.940   5.907
  133   2HG1  ILE  19          HG11      ILE  19  -1.791 -10.185   5.909
  134   1HG2  ILE  19          HG23      ILE  19  -2.992  -8.065   8.596
  135   2HG2  ILE  19          HG22      ILE  19  -3.909  -8.466   7.143
  136   3HG2  ILE  19          HG21      ILE  19  -4.402  -9.119   8.706
  137   1HD1  ILE  19          HD11      ILE  19  -3.123 -12.376   7.257
  138   2HD1  ILE  19          HD13      ILE  19  -3.768 -12.166   5.630
  139   3HD1  ILE  19          HD12      ILE  19  -2.039 -12.422   5.866
  140    H    ALA  20           HN       ALA  20  -0.629 -11.529   9.944
  141    HA   ALA  20           HA       ALA  20  -1.667 -10.550  12.345
  142   1HB   ALA  20           HB2      ALA  20  -0.011 -12.673  11.592
  143   2HB   ALA  20           HB1      ALA  20   0.942 -11.771  12.770
  144   3HB   ALA  20           HB3      ALA  20  -0.657 -12.376  13.204
  145    H    GLU  21           HN       GLU  21   1.855 -10.414  11.779
  146    HA   GLU  21           HA       GLU  21   2.047  -8.065  13.514
  147   1HB   GLU  21           HB2      GLU  21   4.040  -9.736  11.986
  148   2HB   GLU  21           HB1      GLU  21   4.520  -8.233  12.775
  149   1HG   GLU  21           HG2      GLU  21   3.910  -9.045  14.928
  150   2HG   GLU  21           HG1      GLU  21   3.018 -10.405  14.243
  151    H    PHE  22           HN       PHE  22   1.270  -8.449  10.284
  152    HA   PHE  22           HA       PHE  22   2.788  -6.266   9.144
  153   1HB   PHE  22           HB2      PHE  22   1.314  -8.237   8.044
  154   2HB   PHE  22           HB1      PHE  22   0.122  -6.936   8.005
  155    HD1  PHE  22           HD2      PHE  22   0.820  -4.687   6.986
  156    HD2  PHE  22           HD1      PHE  22   3.076  -8.306   6.471
  157    HE1  PHE  22           HE2      PHE  22   1.969  -3.692   5.027
  158    HE2  PHE  22           HE1      PHE  22   4.225  -7.311   4.512
  159    HZ   PHE  22           HZ       PHE  22   3.671  -5.003   3.790
  160    H    LYS  23           HN       LYS  23  -0.276  -6.519  10.855
  161    HA   LYS  23           HA       LYS  23  -1.191  -3.853  10.203
  162   1HB   LYS  23           HB2      LYS  23  -2.869  -4.202  11.882
  163   2HB   LYS  23           HB1      LYS  23  -2.625  -5.760  11.091
  164   1HG   LYS  23           HG2      LYS  23  -1.176  -6.506  12.901
  165   2HG   LYS  23           HG1      LYS  23  -1.262  -4.918  13.664
  166   1HD   LYS  23           HD2      LYS  23  -3.323  -5.311  14.544
  167   2HD   LYS  23           HD1      LYS  23  -3.884  -6.149  13.096
  168   1HE   LYS  23           HE2      LYS  23  -2.602  -8.153  13.752
  169   2HE   LYS  23           HE1      LYS  23  -2.037  -7.317  15.199
  170   1HZ   LYS  23           HZ3      LYS  23  -4.681  -6.969  15.381
  171   2HZ   LYS  23           HZ2      LYS  23  -4.619  -8.493  14.631
  172   3HZ   LYS  23           HZ1      LYS  23  -3.840  -8.243  16.120
  173    H    ALA  24           HN       ALA  24   1.215  -5.083  12.308
  174    HA   ALA  24           HA       ALA  24   1.123  -2.892  14.234
  175   1HB   ALA  24           HB3      ALA  24   2.042  -5.116  14.829
  176   2HB   ALA  24           HB2      ALA  24   3.330  -4.888  13.647
  177   3HB   ALA  24           HB1      ALA  24   3.237  -3.840  15.062
  178    H    ALA  25           HN       ALA  25   3.055  -3.696  11.356
  179    HA   ALA  25           HA       ALA  25   4.749  -1.345  11.610
  180   1HB   ALA  25           HB3      ALA  25   4.366  -3.535   9.633
  181   2HB   ALA  25           HB2      ALA  25   5.027  -2.023   9.011
  182   3HB   ALA  25           HB1      ALA  25   5.856  -2.880  10.311
  183    H    PHE  26           HN       PHE  26   1.829  -2.171   9.771
  184    HA   PHE  26           HA       PHE  26   1.745   0.232   8.205
  185   1HB   PHE  26           HB2      PHE  26   0.389  -1.915   7.861
  186   2HB   PHE  26           HB1      PHE  26  -0.673  -1.326   9.138
  187    HD1  PHE  26           HD1      PHE  26  -1.327   1.282   8.846
  188    HD2  PHE  26           HD2      PHE  26  -0.206  -1.390   5.674
  189    HE1  PHE  26           HE1      PHE  26  -2.488   2.737   7.210
  190    HE2  PHE  26           HE2      PHE  26  -1.370   0.065   4.037
  191    HZ   PHE  26           HZ       PHE  26  -2.512   2.130   4.806
  192    H    ASP  27           HN       ASP  27   0.296  -0.621  11.349
  193    HA   ASP  27           HA       ASP  27  -1.014   1.940  11.665
  194   1HB   ASP  27           HB2      ASP  27  -0.540  -0.469  13.335
  195   2HB   ASP  27           HB1      ASP  27  -0.798   1.041  14.208
  196    H    MET  28           HN       MET  28   2.222   1.142  11.676
  197    HA   MET  28           HA       MET  28   3.428   2.366  13.849
  198   1HB   MET  28           HB2      MET  28   4.127   2.234  10.940
  199   2HB   MET  28           HB1      MET  28   5.082   3.291  11.981
  200   1HG   MET  28           HG2      MET  28   4.516   0.427  12.747
  201   2HG   MET  28           HG1      MET  28   5.886   0.850  11.721
  202   1HE   MET  28           HE3      MET  28   7.477   0.095  12.736
  203   2HE   MET  28           HE2      MET  28   8.469   1.052  13.834
  204   3HE   MET  28           HE1      MET  28   7.469  -0.250  14.472
  205    H    PHE  29           HN       PHE  29   2.786   4.176  10.823
  206    HA   PHE  29           HA       PHE  29   2.901   6.716  12.260
  207   1HB   PHE  29           HB2      PHE  29   2.794   5.818   9.477
  208   2HB   PHE  29           HB1      PHE  29   1.772   7.224   9.768
  209    HD1  PHE  29           HD2      PHE  29   5.215   5.916  10.445
  210    HD2  PHE  29           HD1      PHE  29   2.721   9.364   9.864
  211    HE1  PHE  29           HE2      PHE  29   7.223   7.372  10.473
  212    HE2  PHE  29           HE1      PHE  29   4.728  10.821   9.891
  213    HZ   PHE  29           HZ       PHE  29   6.979   9.826  10.194
  214    H    ASP  30           HN       ASP  30   0.339   5.882   9.967
  215    HA   ASP  30           HA       ASP  30  -1.673   7.239  11.513
  216   1HB   ASP  30           HB2      ASP  30  -1.591   5.591   9.041
  217   2HB   ASP  30           HB1      ASP  30  -3.144   5.666   9.876
  218    H    ALA  31           HN       ALA  31  -1.987   6.402  13.567
  219    HA   ALA  31           HA       ALA  31  -2.656   3.491  13.735
  220   1HB   ALA  31           HB1      ALA  31  -1.579   5.382  15.847
  221   2HB   ALA  31           HB3      ALA  31  -2.079   3.720  16.163
  222   3HB   ALA  31           HB2      ALA  31  -0.713   4.042  15.093
  223    H    ASP  32           HN       ASP  32  -3.329   6.190  15.957
  224    HA   ASP  32           HA       ASP  32  -5.927   5.318  16.639
  225   1HB   ASP  32           HB2      ASP  32  -4.358   7.790  16.944
  226   2HB   ASP  32           HB1      ASP  32  -6.102   8.052  16.898
  227    H    GLY  33           HN       GLY  33  -4.797   6.813  13.753
  228   1HA   GLY  33           HA2      GLY  33  -7.221   8.103  12.915
  229   2HA   GLY  33           HA1      GLY  33  -5.926   7.575  11.840
  230    H    GLY  34           HN       GLY  34  -6.406   5.909  10.491
  231   1HA   GLY  34           HA2      GLY  34  -8.325   3.832  11.347
  232   2HA   GLY  34           HA1      GLY  34  -8.795   4.787   9.941
  233    H    GLY  35           HN       GLY  35  -5.416   4.335  10.312
  234   1HA   GLY  35           HA2      GLY  35  -3.874   2.981   9.168
  235   2HA   GLY  35           HA1      GLY  35  -5.167   1.802   8.952
  236    H    ASP  36           HN       ASP  36  -3.904   4.864   7.651
  237    HA   ASP  36           HA       ASP  36  -4.662   3.945   4.945
  238   1HB   ASP  36           HB2      ASP  36  -5.902   5.910   4.383
  239   2HB   ASP  36           HB1      ASP  36  -6.562   5.353   5.921
  240    H    ILE  37           HN       ILE  37  -3.704   5.566   3.280
  241    HA   ILE  37           HA       ILE  37  -1.450   7.154   4.317
  242    HB   ILE  37           HB       ILE  37  -0.685   5.167   2.229
  243   1HG1  ILE  37          HG12      ILE  37  -0.773   4.465   5.180
  244   2HG1  ILE  37          HG11      ILE  37  -1.919   3.851   3.986
  245   1HG2  ILE  37          HG22      ILE  37   0.552   6.895   4.280
  246   2HG2  ILE  37          HG21      ILE  37   1.299   5.306   4.108
  247   3HG2  ILE  37          HG23      ILE  37   1.178   6.379   2.713
  248   1HD1  ILE  37          HD13      ILE  37   0.217   3.120   2.673
  249   2HD1  ILE  37          HD12      ILE  37   1.029   3.297   4.229
  250   3HD1  ILE  37          HD11      ILE  37  -0.302   2.153   4.054
  251    H    SER  38           HN       SER  38  -0.838   8.760   2.877
  252    HA   SER  38           HA       SER  38  -2.363   8.842   0.306
  253   1HB   SER  38           HB2      SER  38  -1.964  11.323   0.441
  254   2HB   SER  38           HB1      SER  38  -2.950  10.697   1.760
  255    HG   SER  38           HG       SER  38  -1.408  11.937   2.709
  256    H    THR  39           HN       THR  39  -1.165   9.734  -1.564
  257    HA   THR  39           HA       THR  39   1.325   8.560  -2.022
  258    HB   THR  39           HB       THR  39   0.012   9.513  -3.839
  259    HG1  THR  39           HG1      THR  39   2.232  11.154  -3.944
  260   1HG2  THR  39          HG22      THR  39   0.453  12.026  -2.275
  261   2HG2  THR  39          HG21      THR  39   0.313  12.141  -4.029
  262   3HG2  THR  39          HG23      THR  39  -1.007  11.454  -3.083
  263    H    LYS  40           HN       LYS  40   0.603  11.416  -0.187
  264    HA   LYS  40           HA       LYS  40   3.177  12.673  -0.297
  265   1HB   LYS  40           HB2      LYS  40   0.814  13.388   0.789
  266   2HB   LYS  40           HB1      LYS  40   1.632  12.810   2.242
  267   1HG   LYS  40           HG2      LYS  40   3.074  14.655   0.362
  268   2HG   LYS  40           HG1      LYS  40   1.919  15.316   1.520
  269   1HD   LYS  40           HD2      LYS  40   4.163  13.449   2.322
  270   2HD   LYS  40           HD1      LYS  40   4.326  15.205   2.336
  271   1HE   LYS  40           HE2      LYS  40   1.953  14.006   3.705
  272   2HE   LYS  40           HE1      LYS  40   3.520  13.883   4.504
  273   1HZ   LYS  40           HZ1      LYS  40   3.578  16.422   3.783
  274   2HZ   LYS  40           HZ3      LYS  40   1.900  16.239   3.942
  275   3HZ   LYS  40           HZ2      LYS  40   2.918  15.907   5.261
  276    H    GLU  41           HN       GLU  41   1.805  10.787   2.428
  277    HA   GLU  41           HA       GLU  41   4.372  10.344   3.639
  278   1HB   GLU  41           HB2      GLU  41   1.628   9.160   3.975
  279   2HB   GLU  41           HB1      GLU  41   3.006   8.394   4.766
  280   1HG   GLU  41           HG2      GLU  41   2.667   9.900   6.426
  281   2HG   GLU  41           HG1      GLU  41   3.410  11.066   5.330
  282    H    LEU  42           HN       LEU  42   2.877   8.979   0.908
  283    HA   LEU  42           HA       LEU  42   3.740   6.291   0.930
  284   1HB   LEU  42           HB2      LEU  42   2.852   8.228  -1.041
  285   2HB   LEU  42           HB1      LEU  42   4.127   7.205  -1.699
  286    HG   LEU  42           HG       LEU  42   1.844   6.251  -2.040
  287   1HD1  LEU  42          HD13      LEU  42   3.906   4.843  -0.359
  288   2HD1  LEU  42          HD12      LEU  42   2.424   4.012  -0.833
  289   3HD1  LEU  42          HD11      LEU  42   3.529   4.618  -2.067
  290   1HD2  LEU  42          HD22      LEU  42   1.621   6.972   0.732
  291   2HD2  LEU  42          HD21      LEU  42   0.370   6.346  -0.342
  292   3HD2  LEU  42          HD23      LEU  42   1.382   5.232   0.576
  293    H    GLY  43           HN       GLY  43   5.456   9.118  -0.444
  294   1HA   GLY  43           HA2      GLY  43   7.954   7.503  -0.429
  295   2HA   GLY  43           HA1      GLY  43   7.706   8.986  -1.347
  296    H    THR  44           HN       THR  44   6.399  10.096   1.251
  297    HA   THR  44           HA       THR  44   8.698  11.524   2.175
  298    HB   THR  44           HB       THR  44   6.097  11.054   3.664
  299    HG1  THR  44           HG1      THR  44   6.845  12.674   1.526
  300   1HG2  THR  44          HG22      THR  44   8.422  12.918   3.989
  301   2HG2  THR  44          HG21      THR  44   6.808  13.472   4.436
  302   3HG2  THR  44          HG23      THR  44   7.505  12.054   5.221
  303    H    VAL  45           HN       VAL  45   7.146   8.584   3.383
  304    HA   VAL  45           HA       VAL  45   9.082   8.383   5.602
  305    HB   VAL  45           HB       VAL  45   6.713   6.670   4.772
  306   1HG1  VAL  45          HG13      VAL  45   8.781   5.512   5.866
  307   2HG1  VAL  45          HG12      VAL  45   8.266   6.348   7.331
  308   3HG1  VAL  45          HG11      VAL  45   7.184   5.200   6.543
  309   1HG2  VAL  45          HG23      VAL  45   7.176   8.881   6.693
  310   2HG2  VAL  45          HG22      VAL  45   5.687   8.382   5.889
  311   3HG2  VAL  45          HG21      VAL  45   6.252   7.515   7.319
  312    H    MET  46           HN       MET  46   8.051   6.832   2.620
  313    HA   MET  46           HA       MET  46  10.021   4.737   2.644
  314   1HB   MET  46           HB2      MET  46   7.871   5.068   1.141
  315   2HB   MET  46           HB1      MET  46   8.983   5.949   0.094
  316   1HG   MET  46           HG2      MET  46  10.249   4.064  -0.381
  317   2HG   MET  46           HG1      MET  46   9.816   3.264   1.130
  318   1HE   MET  46           HE1      MET  46   8.122   5.215  -1.399
  319   2HE   MET  46           HE3      MET  46   7.138   4.134  -2.396
  320   3HE   MET  46           HE2      MET  46   6.516   4.733  -0.860
  321    H    ARG  47           HN       ARG  47  10.248   8.111   2.332
  322    HA   ARG  47           HA       ARG  47  12.276   8.463   0.415
  323   1HB   ARG  47           HB2      ARG  47  11.348  10.433   1.466
  324   2HB   ARG  47           HB1      ARG  47  11.856   9.874   3.047
  325   1HG   ARG  47           HG2      ARG  47  14.094   9.992   1.184
  326   2HG   ARG  47           HG1      ARG  47  13.308  11.561   1.368
  327   1HD   ARG  47           HD2      ARG  47  13.412  11.133   3.902
  328   2HD   ARG  47           HD1      ARG  47  14.536   9.829   3.522
  329    HE   ARG  47           HE       ARG  47  15.057  12.724   3.161
  330   1HH1  ARG  47          HH11      ARG  47  15.910   9.515   2.290
  331   2HH1  ARG  47          HH12      ARG  47  17.610   9.834   2.236
  332   1HH2  ARG  47          HH21      ARG  47  17.298  13.116   3.307
  333   2HH2  ARG  47          HH22      ARG  47  18.398  11.872   2.814
  334    H    MET  48           HN       MET  48  12.271   6.937   3.484
  335    HA   MET  48           HA       MET  48  15.047   6.952   4.086
  336   1HB   MET  48           HB2      MET  48  12.766   5.279   4.732
  337   2HB   MET  48           HB1      MET  48  14.180   4.273   4.423
  338   1HG   MET  48           HG2      MET  48  14.120   4.890   6.789
  339   2HG   MET  48           HG1      MET  48  15.491   5.679   6.007
  340   1HE   MET  48           HE1      MET  48  13.329   6.066   8.602
  341   2HE   MET  48           HE3      MET  48  14.879   6.917   8.661
  342   3HE   MET  48           HE2      MET  48  13.372   7.808   8.861
  343    H    LEU  49           HN       LEU  49  13.322   4.454   2.209
  344    HA   LEU  49           HA       LEU  49  15.818   3.886   0.721
  345   1HB   LEU  49           HB2      LEU  49  14.567   1.907  -0.121
  346   2HB   LEU  49           HB1      LEU  49  14.651   1.958   1.641
  347    HG   LEU  49           HG       LEU  49  12.340   3.430   0.754
  348   1HD1  LEU  49          HD13      LEU  49  12.979   1.111  -0.841
  349   2HD1  LEU  49          HD12      LEU  49  11.517   0.804   0.097
  350   3HD1  LEU  49          HD11      LEU  49  11.597   2.199  -0.979
  351   1HD2  LEU  49          HD22      LEU  49  13.080   1.920   2.896
  352   2HD2  LEU  49          HD21      LEU  49  11.405   2.340   2.538
  353   3HD2  LEU  49          HD23      LEU  49  12.047   0.774   2.042
  354    H    GLY  50           HN       GLY  50  13.670   6.276   0.193
  355   1HA   GLY  50           HA2      GLY  50  14.155   6.659  -2.501
  356   2HA   GLY  50           HA1      GLY  50  12.781   5.558  -2.504
  357    H    GLN  51           HN       GLN  51  13.453   8.673  -2.848
  358    HA   GLN  51           HA       GLN  51  10.819   9.633  -2.564
  359   1HB   GLN  51           HB2      GLN  51  10.949   9.514  -0.224
  360   2HB   GLN  51           HB1      GLN  51  12.580  10.176  -0.217
  361   1HG   GLN  51           HG2      GLN  51  10.869  11.859   0.433
  362   2HG   GLN  51           HG1      GLN  51  11.771  12.312  -1.010
  363   1HE2  GLN  51          HE22      GLN  51   8.246  10.682  -2.164
  364   2HE2  GLN  51          HE21      GLN  51   9.414   9.763  -1.346
  365    H    ASN  52           HN       ASN  52  14.204  10.181  -2.954
  366    HA   ASN  52           HA       ASN  52  14.663  12.806  -3.236
  367   1HB   ASN  52           HB2      ASN  52  15.485  10.451  -4.705
  368   2HB   ASN  52           HB1      ASN  52  15.380  11.848  -5.778
  369   1HD2  ASN  52          HD22      ASN  52  18.616  11.578  -3.565
  370   2HD2  ASN  52          HD21      ASN  52  17.659  10.285  -4.107
  371    HA   PRO  53           HA       PRO  53  11.835  13.091  -7.131
  372   1HB   PRO  53           HB2      PRO  53   9.620  11.459  -6.956
  373   2HB   PRO  53           HB1      PRO  53  11.053  11.127  -7.938
  374   1HG   PRO  53           HG2      PRO  53  10.248   9.967  -5.310
  375   2HG   PRO  53           HG1      PRO  53  11.118   9.205  -6.655
  376   1HD   PRO  53           HD2      PRO  53  12.328  10.074  -4.395
  377   2HD   PRO  53           HD1      PRO  53  13.167   9.997  -5.930
  378    H    THR  54           HN       THR  54   9.571  14.067  -7.233
  379    HA   THR  54           HA       THR  54   9.086  15.587  -4.803
  380    HB   THR  54           HB       THR  54   7.356  15.479  -7.272
  381    HG1  THR  54           HG1      THR  54   9.369  17.379  -6.956
  382   1HG2  THR  54          HG23      THR  54   7.414  17.055  -4.855
  383   2HG2  THR  54          HG22      THR  54   7.619  18.083  -6.272
  384   3HG2  THR  54          HG21      THR  54   6.210  17.032  -6.142
  385    H    LYS  55           HN       LYS  55   7.107  15.685  -3.666
  386    HA   LYS  55           HA       LYS  55   5.924  13.134  -3.075
  387   1HB   LYS  55           HB2      LYS  55   4.525  14.366  -1.576
  388   2HB   LYS  55           HB1      LYS  55   6.102  15.152  -1.545
  389   1HG   LYS  55           HG2      LYS  55   5.321  16.857  -3.108
  390   2HG   LYS  55           HG1      LYS  55   3.759  16.048  -3.243
  391   1HD   LYS  55           HD2      LYS  55   4.572  16.626  -0.473
  392   2HD   LYS  55           HD1      LYS  55   4.318  18.064  -1.462
  393   1HE   LYS  55           HE2      LYS  55   2.192  16.362  -2.122
  394   2HE   LYS  55           HE1      LYS  55   2.354  16.220  -0.372
  395   1HZ   LYS  55           HZ3      LYS  55   2.219  18.795  -1.842
  396   2HZ   LYS  55           HZ2      LYS  55   0.894  18.058  -1.074
  397   3HZ   LYS  55           HZ1      LYS  55   2.224  18.587  -0.159
  398    H    GLU  56           HN       GLU  56   5.202  15.737  -5.265
  399    HA   GLU  56           HA       GLU  56   2.494  14.792  -5.788
  400   1HB   GLU  56           HB2      GLU  56   2.365  16.572  -7.405
  401   2HB   GLU  56           HB1      GLU  56   3.240  17.218  -6.018
  402   1HG   GLU  56           HG2      GLU  56   4.861  17.801  -7.476
  403   2HG   GLU  56           HG1      GLU  56   5.240  16.082  -7.585
  404    H    GLU  57           HN       GLU  57   5.718  14.352  -7.014
  405    HA   GLU  57           HA       GLU  57   4.927  13.096  -9.509
  406   1HB   GLU  57           HB2      GLU  57   7.252  14.130  -8.780
  407   2HB   GLU  57           HB1      GLU  57   7.542  12.502  -8.161
  408   1HG   GLU  57           HG2      GLU  57   8.173  11.971 -10.267
  409   2HG   GLU  57           HG1      GLU  57   6.457  12.042 -10.674
  410    H    LEU  58           HN       LEU  58   5.088  12.175  -6.215
  411    HA   LEU  58           HA       LEU  58   5.260   9.290  -6.764
  412   1HB   LEU  58           HB2      LEU  58   5.160  11.035  -4.332
  413   2HB   LEU  58           HB1      LEU  58   4.646   9.357  -4.172
  414    HG   LEU  58           HG       LEU  58   7.174   9.985  -3.782
  415   1HD1  LEU  58          HD13      LEU  58   5.827   7.663  -4.947
  416   2HD1  LEU  58          HD12      LEU  58   7.541   7.730  -5.357
  417   3HD1  LEU  58          HD11      LEU  58   7.037   7.734  -3.666
  418   1HD2  LEU  58          HD23      LEU  58   7.026   9.758  -6.811
  419   2HD2  LEU  58          HD22      LEU  58   7.487  11.195  -5.903
  420   3HD2  LEU  58          HD21      LEU  58   8.510   9.763  -5.864
  421    H    ASP  59           HN       ASP  59   2.886  11.602  -7.017
  422    HA   ASP  59           HA       ASP  59   0.656  10.138  -5.849
  423   1HB   ASP  59           HB2      ASP  59   0.554  12.577  -6.106
  424   2HB   ASP  59           HB1      ASP  59   0.708  12.413  -7.855
  425    H    ALA  60           HN       ALA  60   1.998  10.508  -9.127
  426    HA   ALA  60           HA       ALA  60   0.029   9.271 -10.661
  427   1HB   ALA  60           HB3      ALA  60   2.764   9.890 -10.992
  428   2HB   ALA  60           HB2      ALA  60   2.607   8.178 -11.390
  429   3HB   ALA  60           HB1      ALA  60   1.632   9.375 -12.243
  430    H    ILE  61           HN       ILE  61   2.563   7.662  -8.740
  431    HA   ILE  61           HA       ILE  61   1.715   4.988  -9.388
  432    HB   ILE  61           HB       ILE  61   2.950   5.594  -6.728
  433   1HG1  ILE  61          HG12      ILE  61   5.112   5.500  -8.442
  434   2HG1  ILE  61          HG11      ILE  61   3.969   6.529  -9.310
  435   1HG2  ILE  61          HG23      ILE  61   2.844   3.421  -8.694
  436   2HG2  ILE  61          HG22      ILE  61   4.465   3.730  -8.069
  437   3HG2  ILE  61          HG21      ILE  61   3.148   3.357  -6.958
  438   1HD1  ILE  61          HD11      ILE  61   4.201   7.037  -6.406
  439   2HD1  ILE  61          HD13      ILE  61   5.618   7.452  -7.370
  440   3HD1  ILE  61          HD12      ILE  61   4.054   8.178  -7.742
  441    H    ILE  62           HN       ILE  62   0.821   7.309  -6.884
  442    HA   ILE  62           HA       ILE  62  -0.820   5.435  -5.424
  443    HB   ILE  62           HB       ILE  62   0.129   8.050  -5.006
  444   1HG1  ILE  62          HG12      ILE  62  -0.138   6.171  -3.379
  445   2HG1  ILE  62          HG11      ILE  62  -0.739   7.710  -2.762
  446   1HG2  ILE  62          HG23      ILE  62  -2.097   8.727  -6.144
  447   2HG2  ILE  62          HG22      ILE  62  -2.875   8.105  -4.688
  448   3HG2  ILE  62          HG21      ILE  62  -1.735   9.446  -4.575
  449   1HD1  ILE  62          HD13      ILE  62  -2.964   6.697  -4.023
  450   2HD1  ILE  62          HD12      ILE  62  -2.212   5.237  -3.383
  451   3HD1  ILE  62          HD11      ILE  62  -2.639   6.559  -2.296
  452    H    GLU  63           HN       GLU  63  -1.188   7.045  -8.388
  453    HA   GLU  63           HA       GLU  63  -4.085   7.361  -8.313
  454   1HB   GLU  63           HB2      GLU  63  -2.510   8.673  -9.808
  455   2HB   GLU  63           HB1      GLU  63  -2.314   7.204 -10.764
  456   1HG   GLU  63           HG2      GLU  63  -4.689   7.138 -11.258
  457   2HG   GLU  63           HG1      GLU  63  -4.992   8.494 -10.173
  458    H    GLU  64           HN       GLU  64  -1.843   4.827  -9.222
  459    HA   GLU  64           HA       GLU  64  -3.221   3.176 -10.926
  460   1HB   GLU  64           HB2      GLU  64  -2.260   1.240  -9.713
  461   2HB   GLU  64           HB1      GLU  64  -1.076   2.534  -9.905
  462   1HG   GLU  64           HG2      GLU  64  -0.770   2.305  -7.666
  463   2HG   GLU  64           HG1      GLU  64  -2.270   3.224  -7.532
  464    H    VAL  65           HN       VAL  65  -4.099   3.900  -7.607
  465    HA   VAL  65           HA       VAL  65  -6.643   2.401  -8.043
  466    HB   VAL  65           HB       VAL  65  -5.433   0.953  -6.592
  467   1HG1  VAL  65          HG12      VAL  65  -3.720   2.838  -6.098
  468   2HG1  VAL  65          HG11      VAL  65  -4.772   3.239  -4.740
  469   3HG1  VAL  65          HG13      VAL  65  -4.023   1.645  -4.834
  470   1HG2  VAL  65          HG22      VAL  65  -7.774   2.040  -5.802
  471   2HG2  VAL  65          HG21      VAL  65  -6.925   0.824  -4.847
  472   3HG2  VAL  65          HG23      VAL  65  -6.761   2.533  -4.444
  473    H    ASP  66           HN       ASP  66  -4.925   4.993  -6.374
  474    HA   ASP  66           HA       ASP  66  -7.092   6.120  -4.943
  475   1HB   ASP  66           HB2      ASP  66  -4.713   6.803  -4.676
  476   2HB   ASP  66           HB1      ASP  66  -4.774   7.580  -6.254
  477    H    GLU  67           HN       GLU  67  -6.043   8.452  -7.245
  478    HA   GLU  67           HA       GLU  67  -7.924   8.075  -9.337
  479   1HB   GLU  67           HB2      GLU  67  -9.045   9.062  -6.840
  480   2HB   GLU  67           HB1      GLU  67  -9.250  10.240  -8.138
  481   1HG   GLU  67           HG2      GLU  67  -9.797   7.520  -9.042
  482   2HG   GLU  67           HG1      GLU  67 -10.841   7.992  -7.702
  483    H    ASP  68           HN       ASP  68  -7.298  10.964  -7.335
  484    HA   ASP  68           HA       ASP  68  -5.360  11.964  -9.315
  485   1HB   ASP  68           HB2      ASP  68  -8.140  12.775  -9.323
  486   2HB   ASP  68           HB1      ASP  68  -7.101  14.150  -8.944
  487    H    GLY  69           HN       GLY  69  -5.797  11.327  -6.296
  488   1HA   GLY  69           HA2      GLY  69  -4.085  12.373  -4.764
  489   2HA   GLY  69           HA1      GLY  69  -4.713  13.933  -5.296
  490    H    SER  70           HN       SER  70  -6.051  10.882  -3.966
  491    HA   SER  70           HA       SER  70  -7.086  12.102  -1.595
  492   1HB   SER  70           HB2      SER  70  -8.969  11.863  -3.946
  493   2HB   SER  70           HB1      SER  70  -9.554  11.842  -2.286
  494    HG   SER  70           HG       SER  70  -9.005  13.895  -2.052
  495    H    GLY  71           HN       GLY  71  -8.280   9.712  -3.983
  496   1HA   GLY  71           HA2      GLY  71  -9.143   7.755  -2.172
  497   2HA   GLY  71           HA1      GLY  71  -8.531   7.387  -3.785
  498    H    THR  72           HN       THR  72  -7.679   7.680  -0.408
  499    HA   THR  72           HA       THR  72  -4.881   6.996  -0.841
  500    HB   THR  72           HB       THR  72  -5.234   6.503   1.776
  501    HG1  THR  72           HG1      THR  72  -7.203   6.991   2.290
  502   1HG2  THR  72          HG22      THR  72  -4.225   8.499   0.177
  503   2HG2  THR  72          HG21      THR  72  -5.370   9.361   1.206
  504   3HG2  THR  72          HG23      THR  72  -4.069   8.417   1.932
  505    H    ILE  73           HN       ILE  73  -4.203   5.065   0.842
  506    HA   ILE  73           HA       ILE  73  -5.819   2.751  -0.079
  507    HB   ILE  73           HB       ILE  73  -3.004   2.294   0.746
  508   1HG1  ILE  73          HG12      ILE  73  -2.734   4.349  -0.541
  509   2HG1  ILE  73          HG11      ILE  73  -2.188   2.985  -1.515
  510   1HG2  ILE  73          HG22      ILE  73  -5.037   1.192  -1.123
  511   2HG2  ILE  73          HG21      ILE  73  -3.351   1.051  -1.622
  512   3HG2  ILE  73          HG23      ILE  73  -3.879   0.351  -0.093
  513   1HD1  ILE  73          HD13      ILE  73  -4.911   3.166  -2.083
  514   2HD1  ILE  73          HD12      ILE  73  -4.379   4.845  -2.010
  515   3HD1  ILE  73          HD11      ILE  73  -3.596   3.720  -3.119
  516    H    ASP  74           HN       ASP  74  -6.409   1.213   1.451
  517    HA   ASP  74           HA       ASP  74  -6.138   2.030   4.260
  518   1HB   ASP  74           HB2      ASP  74  -7.403  -0.507   3.199
  519   2HB   ASP  74           HB1      ASP  74  -7.724   0.299   4.734
  520    H    PHE  75           HN       PHE  75  -6.123  -0.742   5.268
  521    HA   PHE  75           HA       PHE  75  -3.203  -1.154   5.098
  522   1HB   PHE  75           HB2      PHE  75  -3.377  -1.918   7.223
  523   2HB   PHE  75           HB1      PHE  75  -5.038  -1.339   7.184
  524    HD1  PHE  75           HD2      PHE  75  -6.862  -2.960   6.368
  525    HD2  PHE  75           HD1      PHE  75  -2.892  -4.215   7.425
  526    HE1  PHE  75           HE2      PHE  75  -7.665  -5.293   6.620
  527    HE2  PHE  75           HE1      PHE  75  -3.694  -6.546   7.675
  528    HZ   PHE  75           HZ       PHE  75  -6.081  -7.086   7.273
  529    H    GLU  76           HN       GLU  76  -6.175  -2.589   3.998
  530    HA   GLU  76           HA       GLU  76  -4.857  -5.113   3.226
  531   1HB   GLU  76           HB2      GLU  76  -7.233  -5.037   4.050
  532   2HB   GLU  76           HB1      GLU  76  -7.659  -4.147   2.588
  533   1HG   GLU  76           HG2      GLU  76  -7.892  -6.113   1.518
  534   2HG   GLU  76           HG1      GLU  76  -6.162  -6.387   1.732
  535    H    GLU  77           HN       GLU  77  -6.276  -2.250   1.653
  536    HA   GLU  77           HA       GLU  77  -5.738  -3.163  -1.031
  537   1HB   GLU  77           HB2      GLU  77  -6.042  -0.309  -0.052
  538   2HB   GLU  77           HB1      GLU  77  -6.269  -0.890  -1.703
  539   1HG   GLU  77           HG2      GLU  77  -7.986  -2.535  -0.451
  540   2HG   GLU  77           HG1      GLU  77  -8.053  -1.172   0.666
  541    H    PHE  78           HN       PHE  78  -3.801  -1.678   1.438
  542    HA   PHE  78           HA       PHE  78  -1.780  -0.568  -0.299
  543   1HB   PHE  78           HB2      PHE  78  -2.137   0.042   2.130
  544   2HB   PHE  78           HB1      PHE  78  -1.437  -1.519   2.559
  545    HD1  PHE  78           HD2      PHE  78  -0.429   0.685  -0.275
  546    HD2  PHE  78           HD1      PHE  78   0.592  -0.863   3.601
  547    HE1  PHE  78           HE2      PHE  78   1.847   1.639  -0.493
  548    HE2  PHE  78           HE1      PHE  78   2.869   0.094   3.382
  549    HZ   PHE  78           HZ       PHE  78   3.496   1.344   1.335
  550    H    LEU  79           HN       LEU  79  -2.549  -3.769   0.710
  551    HA   LEU  79           HA       LEU  79   0.170  -4.790   0.171
  552   1HB   LEU  79           HB2      LEU  79  -2.267  -6.497   0.650
  553   2HB   LEU  79           HB1      LEU  79  -0.581  -6.850   1.029
  554    HG   LEU  79           HG       LEU  79  -2.062  -4.566   2.337
  555   1HD1  LEU  79          HD11      LEU  79  -3.207  -6.795   2.718
  556   2HD1  LEU  79          HD13      LEU  79  -1.712  -7.356   3.466
  557   3HD1  LEU  79          HD12      LEU  79  -2.610  -6.015   4.182
  558   1HD2  LEU  79          HD22      LEU  79   0.481  -4.737   2.350
  559   2HD2  LEU  79          HD21      LEU  79  -0.279  -4.672   3.941
  560   3HD2  LEU  79          HD23      LEU  79   0.291  -6.213   3.297
  561    H    VAL  80           HN       VAL  80  -3.097  -4.988  -1.239
  562    HA   VAL  80           HA       VAL  80  -2.614  -6.815  -3.303
  563    HB   VAL  80           HB       VAL  80  -4.527  -5.960  -4.377
  564   1HG1  VAL  80          HG13      VAL  80  -4.696  -6.512  -1.805
  565   2HG1  VAL  80          HG12      VAL  80  -5.029  -4.786  -1.661
  566   3HG1  VAL  80          HG11      VAL  80  -6.077  -5.808  -2.645
  567   1HG2  VAL  80          HG22      VAL  80  -3.716  -3.302  -3.183
  568   2HG2  VAL  80          HG21      VAL  80  -3.848  -3.722  -4.888
  569   3HG2  VAL  80          HG23      VAL  80  -5.302  -3.568  -3.902
  570    H    MET  81           HN       MET  81  -1.860  -3.343  -3.256
  571    HA   MET  81           HA       MET  81  -0.946  -3.229  -5.977
  572   1HB   MET  81           HB2      MET  81   0.257  -1.137  -5.170
  573   2HB   MET  81           HB1      MET  81  -1.484  -1.160  -4.895
  574   1HG   MET  81           HG2      MET  81  -1.168  -1.798  -2.575
  575   2HG   MET  81           HG1      MET  81   0.567  -1.990  -2.823
  576   1HE   MET  81           HE2      MET  81   2.170  -0.362  -3.267
  577   2HE   MET  81           HE1      MET  81   2.131   1.242  -2.538
  578   3HE   MET  81           HE3      MET  81   1.923  -0.196  -1.530
  579    H    MET  82           HN       MET  82   0.623  -4.126  -2.954
  580    HA   MET  82           HA       MET  82   3.310  -4.081  -4.065
  581   1HB   MET  82           HB2      MET  82   2.072  -4.619  -1.499
  582   2HB   MET  82           HB1      MET  82   3.275  -5.852  -1.879
  583   1HG   MET  82           HG2      MET  82   4.982  -4.184  -2.226
  584   2HG   MET  82           HG1      MET  82   3.801  -2.879  -2.117
  585   1HE   MET  82           HE3      MET  82   6.294  -2.943  -0.974
  586   2HE   MET  82           HE2      MET  82   5.751  -1.922   0.354
  587   3HE   MET  82           HE1      MET  82   6.575  -3.441   0.699
  588    H    VAL  83           HN       VAL  83   1.364  -6.863  -2.910
  589    HA   VAL  83           HA       VAL  83   2.882  -8.885  -4.112
  590    HB   VAL  83           HB       VAL  83  -0.142  -8.892  -3.882
  591   1HG1  VAL  83          HG13      VAL  83   1.152 -10.750  -5.137
  592   2HG1  VAL  83          HG12      VAL  83   1.772 -11.203  -3.548
  593   3HG1  VAL  83          HG11      VAL  83   0.038 -11.252  -3.865
  594   1HG2  VAL  83          HG21      VAL  83   2.047  -9.352  -1.842
  595   2HG2  VAL  83          HG23      VAL  83   0.681  -8.242  -1.734
  596   3HG2  VAL  83          HG22      VAL  83   0.413  -9.983  -1.627
  597    H    ARG  84           HN       ARG  84   0.754  -6.586  -5.623
  598    HA   ARG  84           HA       ARG  84  -0.037  -7.865  -7.971
  599   1HB   ARG  84           HB2      ARG  84   0.516  -5.102  -7.172
  600   2HB   ARG  84           HB1      ARG  84   0.818  -5.385  -8.886
  601   1HG   ARG  84           HG2      ARG  84  -1.435  -6.399  -9.102
  602   2HG   ARG  84           HG1      ARG  84  -1.738  -6.057  -7.398
  603   1HD   ARG  84           HD2      ARG  84  -2.385  -3.969  -7.926
  604   2HD   ARG  84           HD1      ARG  84  -0.799  -3.653  -8.629
  605    HE   ARG  84           HE       ARG  84  -3.071  -3.793 -10.182
  606   1HH1  ARG  84          HH21      ARG  84   0.160  -4.463 -10.477
  607   2HH1  ARG  84          HH22      ARG  84   0.019  -5.526 -11.837
  608   1HH2  ARG  84          HH11      ARG  84  -3.441  -5.703 -11.673
  609   2HH2  ARG  84          HH12      ARG  84  -2.020  -6.230 -12.514
  610    H    GLN  85           HN       GLN  85   2.625  -5.610  -8.438
  611    HA   GLN  85           HA       GLN  85   3.856  -7.336 -10.405
  612   1HB   GLN  85           HB2      GLN  85   4.050  -4.629  -9.661
  613   2HB   GLN  85           HB1      GLN  85   5.651  -5.308  -9.363
  614   1HG   GLN  85           HG2      GLN  85   5.843  -4.767 -11.611
  615   2HG   GLN  85           HG1      GLN  85   5.256  -6.426 -11.735
  616   1HE2  GLN  85          HE22      GLN  85   3.107  -4.219 -13.887
  617   2HE2  GLN  85          HE21      GLN  85   4.770  -4.552 -13.834
  618    H    MET  86           HN       MET  86   4.513  -9.289  -9.468
  619    HA   MET  86           HA       MET  86   6.099  -9.269  -6.991
  620   1HB   MET  86           HB2      MET  86   4.840 -11.323  -8.734
  621   2HB   MET  86           HB1      MET  86   6.281 -11.822  -7.846
  622   1HG   MET  86           HG2      MET  86   3.877 -10.477  -6.580
  623   2HG   MET  86           HG1      MET  86   4.161 -12.217  -6.573
  624   1HE   MET  86           HE3      MET  86   3.867 -12.261  -4.211
  625   2HE   MET  86           HE2      MET  86   4.957 -11.662  -2.964
  626   3HE   MET  86           HE1      MET  86   3.841 -10.552  -3.755
  627    H    LYS  87           HN       LYS  87   6.623  -9.819 -10.458
  628    HA   LYS  87           HA       LYS  87   9.394 -10.596 -10.155
  629   1HB   LYS  87           HB2      LYS  87   8.279  -9.322 -12.646
  630   2HB   LYS  87           HB1      LYS  87   9.475 -10.613 -12.503
  631   1HG   LYS  87           HG2      LYS  87   7.473 -11.897 -11.337
  632   2HG   LYS  87           HG1      LYS  87   6.493 -10.758 -12.263
  633   1HD   LYS  87           HD2      LYS  87   6.986 -11.757 -14.240
  634   2HD   LYS  87           HD1      LYS  87   8.680 -11.986 -13.805
  635   1HE   LYS  87           HE2      LYS  87   8.138 -13.936 -12.475
  636   2HE   LYS  87           HE1      LYS  87   6.411 -13.658 -12.695
  637   1HZ   LYS  87           HZ2      LYS  87   6.995 -13.793 -15.185
  638   2HZ   LYS  87           HZ1      LYS  87   8.403 -14.585 -14.655
  639   3HZ   LYS  87           HZ3      LYS  87   6.879 -15.233 -14.290
  640    H    GLU  88           HN       GLU  88   7.772  -7.524 -10.971
  641    HA   GLU  88           HA       GLU  88  10.151  -5.994 -11.340
  642   1HB   GLU  88           HB2      GLU  88   7.319  -5.314 -10.577
  643   2HB   GLU  88           HB1      GLU  88   8.565  -4.065 -10.550
  644   1HG   GLU  88           HG2      GLU  88   9.079  -5.205 -12.961
  645   2HG   GLU  88           HG1      GLU  88   7.336  -5.456 -12.859
  646    H    ASP  89           HN       ASP  89   8.826  -7.421  -8.543
  647    HA   ASP  89           HA       ASP  89   9.523  -7.368  -6.309
  648   1HB   ASP  89           HB2      ASP  89  11.809  -6.497  -7.860
  649   2HB   ASP  89           HB1      ASP  89  11.757  -5.651  -6.312
  650    H    ALA  90           HN       ALA  90   7.978  -5.088  -7.753
  651    HA   ALA  90           HA       ALA  90   8.554  -2.799  -5.990
  652   1HB   ALA  90           HB2      ALA  90   6.406  -3.235  -8.090
  653   2HB   ALA  90           HB1      ALA  90   6.683  -1.721  -7.231
  654   3HB   ALA  90           HB3      ALA  90   7.918  -2.357  -8.316
   
  No H/Q in entry =         654
  Start of MODEL   23
    1   1H    ALA   1           HT2      ALA   1  -5.612  -5.188 -14.541
    2   2H    ALA   1           HT1      ALA   1  -6.198  -6.620 -15.245
    3   3H    ALA   1           HT3      ALA   1  -6.207  -5.174 -16.132
    4    HA   ALA   1           HA       ALA   1  -8.396  -5.322 -15.486
    5   1HB   ALA   1           HB1      ALA   1  -8.004  -7.305 -14.028
    6   2HB   ALA   1           HB3      ALA   1  -7.405  -6.230 -12.765
    7   3HB   ALA   1           HB2      ALA   1  -9.088  -6.131 -13.284
    8    H    SER   2           HN       SER   2  -9.464  -4.191 -13.202
    9    HA   SER   2           HA       SER   2  -8.287  -1.487 -13.324
   10   1HB   SER   2           HB2      SER   2 -10.779  -2.477 -11.906
   11   2HB   SER   2           HB1      SER   2 -10.321  -0.792 -12.138
   12    HG   SER   2           HG       SER   2 -10.220  -1.616 -14.497
   13    H    MET   3           HN       MET   3  -9.586  -3.414 -10.605
   14    HA   MET   3           HA       MET   3  -7.209  -3.519  -9.075
   15   1HB   MET   3           HB2      MET   3  -7.606  -1.687  -7.448
   16   2HB   MET   3           HB1      MET   3  -7.311  -1.063  -9.072
   17   1HG   MET   3           HG2      MET   3  -9.530  -0.440  -9.383
   18   2HG   MET   3           HG1      MET   3 -10.133  -1.621  -8.220
   19   1HE   MET   3           HE2      MET   3  -9.505  -1.712  -5.939
   20   2HE   MET   3           HE1      MET   3  -8.002  -0.872  -5.566
   21   3HE   MET   3           HE3      MET   3  -9.524  -0.331  -4.844
   22    H    THR   4           HN       THR   4 -10.714  -3.254  -9.140
   23    HA   THR   4           HA       THR   4 -11.255  -4.257  -6.525
   24    HB   THR   4           HB       THR   4 -12.801  -4.342  -9.122
   25    HG1  THR   4           HG1      THR   4 -13.777  -2.651  -8.272
   26   1HG2  THR   4          HG22      THR   4 -13.436  -5.582  -6.456
   27   2HG2  THR   4          HG21      THR   4 -14.730  -5.000  -7.504
   28   3HG2  THR   4          HG23      THR   4 -13.638  -6.264  -8.069
   29    H    ASP   5           HN       ASP   5 -11.877  -6.177  -9.467
   30    HA   ASP   5           HA       ASP   5 -11.808  -8.701  -8.326
   31   1HB   ASP   5           HB2      ASP   5 -12.215  -8.081 -10.784
   32   2HB   ASP   5           HB1      ASP   5 -10.463  -8.134 -10.977
   33    H    GLN   6           HN       GLN   6  -9.138  -6.546  -8.922
   34    HA   GLN   6           HA       GLN   6  -6.963  -8.367  -8.767
   35   1HB   GLN   6           HB2      GLN   6  -7.169  -5.702  -9.140
   36   2HB   GLN   6           HB1      GLN   6  -6.692  -5.715  -7.442
   37   1HG   GLN   6           HG2      GLN   6  -4.647  -6.781  -7.891
   38   2HG   GLN   6           HG1      GLN   6  -5.202  -7.396  -9.449
   39   1HE2  GLN   6          HE22      GLN   6  -4.809  -4.125 -11.044
   40   2HE2  GLN   6          HE21      GLN   6  -5.936  -5.394 -10.979
   41    H    GLN   7           HN       GLN   7  -8.452  -6.414  -6.158
   42    HA   GLN   7           HA       GLN   7  -6.973  -7.386  -3.991
   43   1HB   GLN   7           HB2      GLN   7  -8.527  -5.604  -3.617
   44   2HB   GLN   7           HB1      GLN   7  -9.884  -6.580  -4.177
   45   1HG   GLN   7           HG2      GLN   7  -8.270  -7.597  -1.872
   46   2HG   GLN   7           HG1      GLN   7  -9.404  -6.277  -1.580
   47   1HE2  GLN   7          HE22      GLN   7 -12.271  -8.332  -2.554
   48   2HE2  GLN   7          HE21      GLN   7 -11.667  -6.767  -2.816
   49    H    ALA   8           HN       ALA   8  -9.328  -9.058  -5.911
   50    HA   ALA   8           HA       ALA   8 -10.070 -11.076  -4.006
   51   1HB   ALA   8           HB3      ALA   8 -11.122 -10.507  -6.319
   52   2HB   ALA   8           HB2      ALA   8  -9.885 -11.581  -6.971
   53   3HB   ALA   8           HB1      ALA   8 -11.069 -12.198  -5.819
   54    H    GLU   9           HN       GLU   9  -7.786 -11.314  -6.765
   55    HA   GLU   9           HA       GLU   9  -6.691 -13.819  -5.966
   56   1HB   GLU   9           HB2      GLU   9  -6.207 -11.867  -8.006
   57   2HB   GLU   9           HB1      GLU   9  -4.663 -12.304  -7.275
   58   1HG   GLU   9           HG2      GLU   9  -5.038 -13.881  -9.040
   59   2HG   GLU   9           HG1      GLU   9  -5.365 -14.737  -7.532
   60    H    ALA  10           HN       ALA  10  -5.337 -10.531  -5.504
   61    HA   ALA  10           HA       ALA  10  -3.060 -11.167  -4.040
   62   1HB   ALA  10           HB2      ALA  10  -4.725  -8.842  -4.390
   63   2HB   ALA  10           HB1      ALA  10  -4.215  -8.953  -2.705
   64   3HB   ALA  10           HB3      ALA  10  -3.008  -8.919  -3.990
   65    H    ARG  11           HN       ARG  11  -6.261 -10.472  -2.573
   66    HA   ARG  11           HA       ARG  11  -5.616 -11.105   0.079
   67   1HB   ARG  11           HB2      ARG  11  -7.813 -10.183  -0.756
   68   2HB   ARG  11           HB1      ARG  11  -8.236 -11.819  -1.264
   69   1HG   ARG  11           HG2      ARG  11  -8.843 -12.355   0.834
   70   2HG   ARG  11           HG1      ARG  11  -7.253 -11.888   1.441
   71   1HD   ARG  11           HD2      ARG  11  -7.952  -9.565   1.629
   72   2HD   ARG  11           HD1      ARG  11  -9.505  -9.936   0.879
   73    HE   ARG  11           HE       ARG  11  -9.273 -11.610   3.142
   74   1HH1  ARG  11          HH21      ARG  11  -8.049  -9.431   4.591
   75   2HH1  ARG  11          HH22      ARG  11  -9.387  -8.453   5.093
   76   1HH2  ARG  11          HH11      ARG  11 -11.601  -9.842   2.814
   77   2HH2  ARG  11          HH12      ARG  11 -11.397  -8.683   4.086
   78    H    ALA  12           HN       ALA  12  -6.799 -13.344  -2.450
   79    HA   ALA  12           HA       ALA  12  -6.995 -15.708  -1.037
   80   1HB   ALA  12           HB2      ALA  12  -6.729 -15.012  -3.746
   81   2HB   ALA  12           HB1      ALA  12  -5.455 -16.194  -3.447
   82   3HB   ALA  12           HB3      ALA  12  -7.135 -16.602  -3.099
   83    H    PHE  13           HN       PHE  13  -3.985 -14.133  -2.085
   84    HA   PHE  13           HA       PHE  13  -2.323 -16.298  -1.040
   85   1HB   PHE  13           HB2      PHE  13  -1.768 -14.601  -2.942
   86   2HB   PHE  13           HB1      PHE  13  -1.325 -13.517  -1.621
   87    HD1  PHE  13           HD1      PHE  13  -0.690 -16.930  -3.002
   88    HD2  PHE  13           HD2      PHE  13   0.757 -13.732  -0.526
   89    HE1  PHE  13           HE1      PHE  13   1.490 -18.090  -2.780
   90    HE2  PHE  13           HE2      PHE  13   2.937 -14.892  -0.304
   91    HZ   PHE  13           HZ       PHE  13   3.304 -17.070  -1.431
   92    H    LEU  14           HN       LEU  14  -3.441 -13.139   0.098
   93    HA   LEU  14           HA       LEU  14  -1.782 -13.337   2.527
   94   1HB   LEU  14           HB2      LEU  14  -3.965 -11.315   2.007
   95   2HB   LEU  14           HB1      LEU  14  -2.550 -11.150   3.048
   96    HG   LEU  14           HG       LEU  14  -2.300 -11.576   0.067
   97   1HD1  LEU  14          HD12      LEU  14  -2.743  -9.043   1.640
   98   2HD1  LEU  14          HD11      LEU  14  -1.811  -9.018   0.142
   99   3HD1  LEU  14          HD13      LEU  14  -3.494  -9.549   0.126
  100   1HD2  LEU  14          HD23      LEU  14  -0.356 -11.976   1.652
  101   2HD2  LEU  14          HD22      LEU  14  -0.060 -10.759   0.413
  102   3HD2  LEU  14          HD21      LEU  14  -0.433 -10.262   2.063
  103    H    SER  15           HN       SER  15  -2.891 -15.444   3.128
  104    HA   SER  15           HA       SER  15  -5.597 -15.750   3.748
  105   1HB   SER  15           HB2      SER  15  -4.925 -17.435   5.354
  106   2HB   SER  15           HB1      SER  15  -3.809 -17.507   3.994
  107    HG   SER  15           HG       SER  15  -3.200 -17.195   6.502
  108    H    GLU  16           HN       GLU  16  -6.646 -15.634   5.948
  109    HA   GLU  16           HA       GLU  16  -6.753 -13.052   6.981
  110   1HB   GLU  16           HB2      GLU  16  -7.516 -15.734   7.979
  111   2HB   GLU  16           HB1      GLU  16  -7.326 -14.495   9.222
  112   1HG   GLU  16           HG2      GLU  16  -8.757 -13.011   7.623
  113   2HG   GLU  16           HG1      GLU  16  -9.223 -14.542   6.883
  114    H    GLU  17           HN       GLU  17  -4.388 -15.544   7.669
  115    HA   GLU  17           HA       GLU  17  -3.309 -14.221  10.029
  116   1HB   GLU  17           HB2      GLU  17  -2.184 -16.385   8.226
  117   2HB   GLU  17           HB1      GLU  17  -1.411 -15.834   9.713
  118   1HG   GLU  17           HG2      GLU  17  -4.188 -16.396  10.233
  119   2HG   GLU  17           HG1      GLU  17  -3.444 -17.792   9.453
  120    H    MET  18           HN       MET  18  -2.299 -14.479   6.612
  121    HA   MET  18           HA       MET  18   0.055 -12.888   6.864
  122   1HB   MET  18           HB2      MET  18  -1.792 -13.393   4.517
  123   2HB   MET  18           HB1      MET  18  -0.279 -12.497   4.378
  124   1HG   MET  18           HG2      MET  18   0.333 -14.851   5.820
  125   2HG   MET  18           HG1      MET  18  -0.681 -15.352   4.467
  126   1HE   MET  18           HE2      MET  18   0.221 -16.336   2.964
  127   2HE   MET  18           HE1      MET  18   1.503 -15.871   1.848
  128   3HE   MET  18           HE3      MET  18   1.900 -16.684   3.367
  129    H    ILE  19           HN       ILE  19  -3.333 -12.026   6.594
  130    HA   ILE  19           HA       ILE  19  -2.820  -9.230   5.956
  131    HB   ILE  19           HB       ILE  19  -5.313 -10.537   7.081
  132   1HG1  ILE  19          HG12      ILE  19  -5.202  -9.734   4.242
  133   2HG1  ILE  19          HG11      ILE  19  -4.126 -11.068   4.661
  134   1HG2  ILE  19          HG22      ILE  19  -4.731  -7.864   6.941
  135   2HG2  ILE  19          HG21      ILE  19  -5.488  -8.135   5.371
  136   3HG2  ILE  19          HG23      ILE  19  -6.362  -8.529   6.851
  137   1HD1  ILE  19          HD11      ILE  19  -6.922 -11.148   5.715
  138   2HD1  ILE  19          HD13      ILE  19  -6.673 -11.505   4.006
  139   3HD1  ILE  19          HD12      ILE  19  -5.866 -12.476   5.236
  140    H    ALA  20           HN       ALA  20  -4.275 -10.734   8.855
  141    HA   ALA  20           HA       ALA  20  -4.042  -8.494  10.542
  142   1HB   ALA  20           HB3      ALA  20  -4.283 -11.430  10.930
  143   2HB   ALA  20           HB2      ALA  20  -3.715 -10.501  12.317
  144   3HB   ALA  20           HB1      ALA  20  -5.272 -10.123  11.582
  145    H    GLU  21           HN       GLU  21  -1.568 -10.567   9.319
  146    HA   GLU  21           HA       GLU  21   0.355  -9.875  11.439
  147   1HB   GLU  21           HB2      GLU  21   0.237 -12.085  10.043
  148   2HB   GLU  21           HB1      GLU  21   1.094 -11.151   8.817
  149   1HG   GLU  21           HG2      GLU  21   2.722 -10.507  10.716
  150   2HG   GLU  21           HG1      GLU  21   1.995 -11.841  11.613
  151    H    PHE  22           HN       PHE  22  -0.368  -8.944   8.102
  152    HA   PHE  22           HA       PHE  22   1.994  -7.372   7.673
  153   1HB   PHE  22           HB2      PHE  22  -0.451  -7.940   6.278
  154   2HB   PHE  22           HB1      PHE  22  -0.183  -6.196   6.269
  155    HD1  PHE  22           HD2      PHE  22   2.457  -5.580   5.932
  156    HD2  PHE  22           HD1      PHE  22   0.477  -9.112   4.500
  157    HE1  PHE  22           HE2      PHE  22   4.204  -5.854   4.194
  158    HE2  PHE  22           HE1      PHE  22   2.225  -9.387   2.761
  159    HZ   PHE  22           HZ       PHE  22   4.089  -7.758   2.608
  160    H    LYS  23           HN       LYS  23  -1.289  -6.453   8.755
  161    HA   LYS  23           HA       LYS  23  -1.014  -3.715   9.042
  162   1HB   LYS  23           HB2      LYS  23  -3.083  -4.867   9.634
  163   2HB   LYS  23           HB1      LYS  23  -2.292  -5.636  11.010
  164   1HG   LYS  23           HG2      LYS  23  -2.922  -3.864  12.251
  165   2HG   LYS  23           HG1      LYS  23  -1.773  -2.898  11.324
  166   1HD   LYS  23           HD2      LYS  23  -3.800  -1.742  11.023
  167   2HD   LYS  23           HD1      LYS  23  -3.680  -2.725   9.564
  168   1HE   LYS  23           HE2      LYS  23  -5.867  -3.172  10.242
  169   2HE   LYS  23           HE1      LYS  23  -4.987  -4.504  10.992
  170   1HZ   LYS  23           HZ3      LYS  23  -4.876  -2.335  12.734
  171   2HZ   LYS  23           HZ2      LYS  23  -6.492  -2.481  12.231
  172   3HZ   LYS  23           HZ1      LYS  23  -5.700  -3.802  12.948
  173    H    ALA  24           HN       ALA  24   0.464  -6.215  11.041
  174    HA   ALA  24           HA       ALA  24   1.273  -4.639  13.244
  175   1HB   ALA  24           HB3      ALA  24   2.300  -7.118  11.935
  176   2HB   ALA  24           HB2      ALA  24   3.364  -6.301  13.079
  177   3HB   ALA  24           HB1      ALA  24   1.776  -6.862  13.599
  178    H    ALA  25           HN       ALA  25   3.392  -5.511  10.482
  179    HA   ALA  25           HA       ALA  25   5.429  -3.654  11.040
  180   1HB   ALA  25           HB2      ALA  25   4.453  -4.953   8.512
  181   2HB   ALA  25           HB1      ALA  25   5.702  -3.712   8.422
  182   3HB   ALA  25           HB3      ALA  25   5.983  -5.179   9.360
  183    H    PHE  26           HN       PHE  26   2.234  -3.074   9.863
  184    HA   PHE  26           HA       PHE  26   2.569  -0.698   8.377
  185   1HB   PHE  26           HB2      PHE  26   0.412  -2.112   9.122
  186   2HB   PHE  26           HB1      PHE  26   0.301  -0.813  10.309
  187    HD1  PHE  26           HD1      PHE  26   0.337   1.601   9.490
  188    HD2  PHE  26           HD2      PHE  26  -0.193  -1.752   6.858
  189    HE1  PHE  26           HE1      PHE  26  -0.585   3.111   7.751
  190    HE2  PHE  26           HE2      PHE  26  -1.114  -0.242   5.120
  191    HZ   PHE  26           HZ       PHE  26  -1.309   2.189   5.567
  192    H    ASP  27           HN       ASP  27   2.334  -1.133  11.906
  193    HA   ASP  27           HA       ASP  27   2.200   1.469  12.815
  194   1HB   ASP  27           HB2      ASP  27   2.882  -0.954  13.952
  195   2HB   ASP  27           HB1      ASP  27   4.358  -0.009  14.148
  196    H    MET  28           HN       MET  28   5.142  -0.167  11.628
  197    HA   MET  28           HA       MET  28   7.031   1.835  12.112
  198   1HB   MET  28           HB2      MET  28   6.727  -0.068   9.784
  199   2HB   MET  28           HB1      MET  28   8.114   1.010   9.938
  200   1HG   MET  28           HG2      MET  28   7.858  -0.144  12.469
  201   2HG   MET  28           HG1      MET  28   7.546  -1.472  11.352
  202   1HE   MET  28           HE3      MET  28   9.081  -2.125   9.375
  203   2HE   MET  28           HE2      MET  28   9.081  -0.455   8.814
  204   3HE   MET  28           HE1      MET  28  10.606  -1.323   8.972
  205    H    PHE  29           HN       PHE  29   5.300   1.469   8.989
  206    HA   PHE  29           HA       PHE  29   6.048   3.929   7.874
  207   1HB   PHE  29           HB2      PHE  29   3.733   2.088   7.523
  208   2HB   PHE  29           HB1      PHE  29   3.554   3.720   6.878
  209    HD1  PHE  29           HD2      PHE  29   5.979   0.864   6.954
  210    HD2  PHE  29           HD1      PHE  29   4.454   4.239   4.777
  211    HE1  PHE  29           HE2      PHE  29   7.395   0.252   5.011
  212    HE2  PHE  29           HE1      PHE  29   5.871   3.628   2.837
  213    HZ   PHE  29           HZ       PHE  29   7.341   1.634   2.953
  214    H    ASP  30           HN       ASP  30   2.705   3.541   9.025
  215    HA   ASP  30           HA       ASP  30   2.320   6.310   9.516
  216   1HB   ASP  30           HB2      ASP  30   0.756   3.996   9.665
  217   2HB   ASP  30           HB1      ASP  30   0.754   4.633  11.310
  218    H    ALA  31           HN       ALA  31   3.331   7.540  11.021
  219    HA   ALA  31           HA       ALA  31   4.540   6.241  13.385
  220   1HB   ALA  31           HB2      ALA  31   5.536   8.168  11.847
  221   2HB   ALA  31           HB1      ALA  31   4.621   9.202  12.944
  222   3HB   ALA  31           HB3      ALA  31   5.870   8.131  13.579
  223    H    ASP  32           HN       ASP  32   2.740   9.316  13.047
  224    HA   ASP  32           HA       ASP  32   1.331   8.611  15.587
  225   1HB   ASP  32           HB2      ASP  32   0.866  11.216  15.461
  226   2HB   ASP  32           HB1      ASP  32   2.408  10.613  16.071
  227    H    GLY  33           HN       GLY  33   0.271   7.451  13.333
  228   1HA   GLY  33           HA2      GLY  33  -2.126   9.160  12.786
  229   2HA   GLY  33           HA1      GLY  33  -1.433   8.089  11.568
  230    H    GLY  34           HN       GLY  34  -1.080   5.730  12.689
  231   1HA   GLY  34           HA2      GLY  34  -2.441   4.441  14.552
  232   2HA   GLY  34           HA1      GLY  34  -3.812   4.957  13.569
  233    H    GLY  35           HN       GLY  35  -3.112   4.560  11.029
  234   1HA   GLY  35           HA2      GLY  35  -1.561   2.274  10.381
  235   2HA   GLY  35           HA1      GLY  35  -3.211   1.726  10.685
  236    H    ASP  36           HN       ASP  36  -1.800   4.581   9.049
  237    HA   ASP  36           HA       ASP  36  -2.575   3.828   6.416
  238   1HB   ASP  36           HB2      ASP  36  -4.548   5.324   6.127
  239   2HB   ASP  36           HB1      ASP  36  -4.873   4.001   7.248
  240    H    ILE  37           HN       ILE  37  -0.762   4.875   5.644
  241    HA   ILE  37           HA       ILE  37  -0.087   7.574   6.587
  242    HB   ILE  37           HB       ILE  37   1.251   6.380   4.198
  243   1HG1  ILE  37          HG12      ILE  37   2.627   5.260   6.325
  244   2HG1  ILE  37          HG11      ILE  37   0.941   5.010   6.778
  245   1HG2  ILE  37          HG23      ILE  37   2.199   7.766   6.724
  246   2HG2  ILE  37          HG22      ILE  37   3.245   7.266   5.394
  247   3HG2  ILE  37          HG21      ILE  37   2.019   8.508   5.134
  248   1HD1  ILE  37          HD12      ILE  37   0.561   4.106   4.435
  249   2HD1  ILE  37          HD11      ILE  37   2.312   4.130   4.227
  250   3HD1  ILE  37          HD13      ILE  37   1.585   3.106   5.465
  251    H    SER  38           HN       SER  38  -0.333   9.471   5.401
  252    HA   SER  38           HA       SER  38  -2.255   9.339   3.166
  253   1HB   SER  38           HB2      SER  38  -1.698  11.974   3.393
  254   2HB   SER  38           HB1      SER  38  -2.877  11.160   4.416
  255    HG   SER  38           HG       SER  38  -0.129  11.614   4.985
  256    H    THR  39           HN       THR  39  -1.591  11.259   1.437
  257    HA   THR  39           HA       THR  39   0.688  10.155   0.034
  258    HB   THR  39           HB       THR  39   0.252  11.885  -1.632
  259    HG1  THR  39           HG1      THR  39  -0.433  13.717  -0.919
  260   1HG2  THR  39          HG23      THR  39  -1.459   9.893  -0.963
  261   2HG2  THR  39          HG22      THR  39  -2.528  11.286  -0.803
  262   3HG2  THR  39          HG21      THR  39  -1.716  10.970  -2.336
  263    H    LYS  40           HN       LYS  40   0.206  12.820   2.244
  264    HA   LYS  40           HA       LYS  40   2.411  14.459   1.680
  265   1HB   LYS  40           HB2      LYS  40   0.686  14.830   3.492
  266   2HB   LYS  40           HB1      LYS  40   1.549  13.641   4.469
  267   1HG   LYS  40           HG2      LYS  40   3.080  15.919   3.258
  268   2HG   LYS  40           HG1      LYS  40   2.122  16.206   4.710
  269   1HD   LYS  40           HD2      LYS  40   3.378  13.895   5.403
  270   2HD   LYS  40           HD1      LYS  40   4.604  14.627   4.367
  271   1HE   LYS  40           HE2      LYS  40   4.096  16.797   5.750
  272   2HE   LYS  40           HE1      LYS  40   3.432  15.669   6.932
  273   1HZ   LYS  40           HZ2      LYS  40   5.552  14.464   6.869
  274   2HZ   LYS  40           HZ1      LYS  40   6.183  15.636   5.813
  275   3HZ   LYS  40           HZ3      LYS  40   5.743  16.069   7.394
  276    H    GLU  41           HN       GLU  41   2.440  11.837   4.127
  277    HA   GLU  41           HA       GLU  41   5.336  11.754   4.166
  278   1HB   GLU  41           HB2      GLU  41   3.580  10.978   5.974
  279   2HB   GLU  41           HB1      GLU  41   3.639   9.454   5.085
  280   1HG   GLU  41           HG2      GLU  41   5.455   8.982   6.353
  281   2HG   GLU  41           HG1      GLU  41   6.309  10.120   5.312
  282    H    LEU  42           HN       LEU  42   2.801   9.947   2.491
  283    HA   LEU  42           HA       LEU  42   4.250   7.750   1.529
  284   1HB   LEU  42           HB2      LEU  42   1.784   8.362   1.106
  285   2HB   LEU  42           HB1      LEU  42   2.380   9.344  -0.233
  286    HG   LEU  42           HG       LEU  42   3.588   7.280  -1.075
  287   1HD1  LEU  42          HD12      LEU  42   2.785   6.288   1.434
  288   2HD1  LEU  42          HD11      LEU  42   1.801   5.425   0.252
  289   3HD1  LEU  42          HD13      LEU  42   3.561   5.382   0.135
  290   1HD2  LEU  42          HD22      LEU  42   0.604   7.572  -0.915
  291   2HD2  LEU  42          HD21      LEU  42   1.668   7.751  -2.310
  292   3HD2  LEU  42          HD23      LEU  42   1.282   6.143  -1.696
  293    H    GLY  43           HN       GLY  43   4.523  11.123   0.672
  294   1HA   GLY  43           HA2      GLY  43   6.291  10.477  -1.623
  295   2HA   GLY  43           HA1      GLY  43   5.698  12.086  -1.204
  296    H    THR  44           HN       THR  44   6.370  11.987   1.586
  297    HA   THR  44           HA       THR  44   9.192  12.684   1.392
  298    HB   THR  44           HB       THR  44   8.232  12.432   4.115
  299    HG1  THR  44           HG1      THR  44   6.390  13.519   3.985
  300   1HG2  THR  44          HG22      THR  44   9.432  14.411   2.289
  301   2HG2  THR  44          HG21      THR  44   8.406  15.103   3.545
  302   3HG2  THR  44          HG23      THR  44   9.781  14.089   3.987
  303    H    VAL  45           HN       VAL  45   7.697   9.755   1.574
  304    HA   VAL  45           HA       VAL  45   9.536   8.517   3.516
  305    HB   VAL  45           HB       VAL  45   7.133   7.778   3.241
  306   1HG1  VAL  45          HG13      VAL  45   7.279   7.994   0.690
  307   2HG1  VAL  45          HG12      VAL  45   8.127   6.448   0.715
  308   3HG1  VAL  45          HG11      VAL  45   6.470   6.554   1.308
  309   1HG2  VAL  45          HG23      VAL  45   9.438   6.287   3.718
  310   2HG2  VAL  45          HG22      VAL  45   7.785   5.763   4.043
  311   3HG2  VAL  45          HG21      VAL  45   8.564   5.330   2.521
  312    H    MET  46           HN       MET  46   8.940   8.522   0.010
  313    HA   MET  46           HA       MET  46  11.285   6.823  -0.488
  314   1HB   MET  46           HB2      MET  46   8.963   7.637  -1.957
  315   2HB   MET  46           HB1      MET  46  10.393   8.123  -2.871
  316   1HG   MET  46           HG2      MET  46  10.946   5.980  -3.353
  317   2HG   MET  46           HG1      MET  46  10.626   5.440  -1.705
  318   1HE   MET  46           HE3      MET  46   8.758   4.739  -0.747
  319   2HE   MET  46           HE2      MET  46   7.494   5.919  -1.080
  320   3HE   MET  46           HE1      MET  46   7.234   4.223  -1.481
  321    H    ARG  47           HN       ARG  47  10.464  10.218  -0.399
  322    HA   ARG  47           HA       ARG  47  12.478  11.387  -1.944
  323   1HB   ARG  47           HB2      ARG  47  10.663  12.541  -0.531
  324   2HB   ARG  47           HB1      ARG  47  11.785  12.392   0.823
  325   1HG   ARG  47           HG2      ARG  47  12.840  13.525  -1.733
  326   2HG   ARG  47           HG1      ARG  47  11.789  14.549  -0.753
  327   1HD   ARG  47           HD2      ARG  47  14.060  13.064   0.543
  328   2HD   ARG  47           HD1      ARG  47  14.369  14.579  -0.306
  329    HE   ARG  47           HE       ARG  47  12.376  15.382   1.289
  330   1HH1  ARG  47          HH21      ARG  47  13.874  12.610   2.356
  331   2HH1  ARG  47          HH22      ARG  47  14.462  13.271   3.845
  332   1HH2  ARG  47          HH11      ARG  47  13.619  16.535   3.035
  333   2HH2  ARG  47          HH12      ARG  47  14.319  15.493   4.228
  334    H    MET  48           HN       MET  48  12.715  10.081   1.358
  335    HA   MET  48           HA       MET  48  15.306  10.839   2.047
  336   1HB   MET  48           HB2      MET  48  13.607   8.471   2.620
  337   2HB   MET  48           HB1      MET  48  15.334   8.272   2.921
  338   1HG   MET  48           HG2      MET  48  15.138  10.578   4.132
  339   2HG   MET  48           HG1      MET  48  13.412  10.218   4.179
  340   1HE   MET  48           HE1      MET  48  13.149  10.392   6.263
  341   2HE   MET  48           HE3      MET  48  12.527   8.772   6.606
  342   3HE   MET  48           HE2      MET  48  13.788   9.470   7.620
  343    H    LEU  49           HN       LEU  49  15.164   7.449   1.197
  344    HA   LEU  49           HA       LEU  49  17.575   7.813  -0.473
  345   1HB   LEU  49           HB2      LEU  49  17.769   5.386  -0.368
  346   2HB   LEU  49           HB1      LEU  49  17.460   6.005   1.256
  347    HG   LEU  49           HG       LEU  49  14.993   5.449  -0.214
  348   1HD1  LEU  49          HD12      LEU  49  16.679   3.692  -1.087
  349   2HD1  LEU  49          HD11      LEU  49  16.643   3.040   0.550
  350   3HD1  LEU  49          HD13      LEU  49  15.164   3.096  -0.408
  351   1HD2  LEU  49          HD21      LEU  49  16.215   5.027   2.468
  352   2HD2  LEU  49          HD23      LEU  49  14.619   5.645   2.046
  353   3HD2  LEU  49          HD22      LEU  49  14.932   3.909   2.004
  354    H    GLY  50           HN       GLY  50  15.189   8.869  -1.608
  355   1HA   GLY  50           HA2      GLY  50  14.914   7.041  -3.951
  356   2HA   GLY  50           HA1      GLY  50  13.473   7.749  -3.221
  357    H    GLN  51           HN       GLN  51  12.751   9.451  -4.391
  358    HA   GLN  51           HA       GLN  51  14.738  11.452  -5.378
  359   1HB   GLN  51           HB2      GLN  51  12.488  11.148  -7.196
  360   2HB   GLN  51           HB1      GLN  51  14.210  11.137  -7.561
  361   1HG   GLN  51           HG2      GLN  51  14.148   8.714  -6.577
  362   2HG   GLN  51           HG1      GLN  51  12.411   8.829  -6.857
  363   1HE2  GLN  51          HE22      GLN  51  12.846   9.115 -10.470
  364   2HE2  GLN  51          HE21      GLN  51  11.932   9.810  -9.220
  365    H    ASN  52           HN       ASN  52  13.792  13.638  -5.414
  366    HA   ASN  52           HA       ASN  52  11.605  13.959  -3.585
  367   1HB   ASN  52           HB2      ASN  52  12.644  15.823  -5.748
  368   2HB   ASN  52           HB1      ASN  52  11.464  16.287  -4.520
  369   1HD2  ASN  52          HD22      ASN  52  14.894  17.189  -3.285
  370   2HD2  ASN  52          HD21      ASN  52  13.986  17.608  -4.656
  371    HA   PRO  53           HA       PRO  53   8.599  12.874  -6.708
  372   1HB   PRO  53           HB2      PRO  53   6.542  12.521  -4.935
  373   2HB   PRO  53           HB1      PRO  53   7.843  11.340  -5.161
  374   1HG   PRO  53           HG2      PRO  53   7.350  13.112  -2.853
  375   2HG   PRO  53           HG1      PRO  53   8.372  11.672  -2.960
  376   1HD   PRO  53           HD2      PRO  53   9.189  14.459  -3.079
  377   2HD   PRO  53           HD1      PRO  53  10.208  13.000  -3.088
  378    H    THR  54           HN       THR  54   5.875  13.574  -6.334
  379    HA   THR  54           HA       THR  54   5.912  16.553  -6.137
  380    HB   THR  54           HB       THR  54   4.431  15.015  -8.287
  381    HG1  THR  54           HG1      THR  54   6.619  16.632  -8.861
  382   1HG2  THR  54          HG23      THR  54   4.709  17.862  -7.481
  383   2HG2  THR  54          HG22      THR  54   4.706  17.524  -9.212
  384   3HG2  THR  54          HG21      THR  54   3.340  17.027  -8.215
  385    H    LYS  55           HN       LYS  55   3.515  17.350  -6.097
  386    HA   LYS  55           HA       LYS  55   2.182  16.025  -3.918
  387   1HB   LYS  55           HB2      LYS  55   1.971  18.460  -4.367
  388   2HB   LYS  55           HB1      LYS  55   1.087  18.092  -5.849
  389   1HG   LYS  55           HG2      LYS  55  -0.197  16.593  -3.857
  390   2HG   LYS  55           HG1      LYS  55   0.118  18.162  -3.113
  391   1HD   LYS  55           HD2      LYS  55  -1.288  19.272  -4.536
  392   2HD   LYS  55           HD1      LYS  55  -0.889  18.231  -5.903
  393   1HE   LYS  55           HE2      LYS  55  -2.725  16.986  -5.541
  394   2HE   LYS  55           HE1      LYS  55  -2.222  16.675  -3.880
  395   1HZ   LYS  55           HZ3      LYS  55  -3.145  18.875  -3.291
  396   2HZ   LYS  55           HZ2      LYS  55  -3.749  19.019  -4.872
  397   3HZ   LYS  55           HZ1      LYS  55  -4.319  17.786  -3.851
  398    H    GLU  56           HN       GLU  56   1.676  16.078  -7.425
  399    HA   GLU  56           HA       GLU  56  -0.672  14.316  -7.169
  400   1HB   GLU  56           HB2      GLU  56  -0.342  16.224  -8.909
  401   2HB   GLU  56           HB1      GLU  56   0.667  15.055  -9.764
  402   1HG   GLU  56           HG2      GLU  56  -1.405  13.456  -9.355
  403   2HG   GLU  56           HG1      GLU  56  -2.279  14.983  -9.235
  404    H    GLU  57           HN       GLU  57   2.694  13.988  -7.382
  405    HA   GLU  57           HA       GLU  57   2.933  11.645  -9.004
  406   1HB   GLU  57           HB2      GLU  57   4.773  13.211  -7.988
  407   2HB   GLU  57           HB1      GLU  57   4.691  12.114  -6.611
  408   1HG   GLU  57           HG2      GLU  57   6.323  11.076  -7.905
  409   2HG   GLU  57           HG1      GLU  57   4.870  10.252  -8.472
  410    H    LEU  58           HN       LEU  58   2.148  12.101  -5.583
  411    HA   LEU  58           HA       LEU  58   2.145   9.197  -5.098
  412   1HB   LEU  58           HB2      LEU  58   1.396  11.569  -3.365
  413   2HB   LEU  58           HB1      LEU  58   1.315   9.893  -2.820
  414    HG   LEU  58           HG       LEU  58   3.445  10.784  -2.114
  415   1HD1  LEU  58          HD13      LEU  58   3.160   8.522  -3.666
  416   2HD1  LEU  58          HD12      LEU  58   4.478   9.368  -4.476
  417   3HD1  LEU  58          HD11      LEU  58   4.615   8.952  -2.768
  418   1HD2  LEU  58          HD21      LEU  58   3.301  12.567  -4.045
  419   2HD2  LEU  58          HD23      LEU  58   4.882  12.031  -3.475
  420   3HD2  LEU  58          HD22      LEU  58   4.209  11.367  -4.964
  421    H    ASP  59           HN       ASP  59   0.006  11.477  -6.387
  422    HA   ASP  59           HA       ASP  59  -2.462  10.265  -5.387
  423   1HB   ASP  59           HB2      ASP  59  -1.723  12.484  -7.217
  424   2HB   ASP  59           HB1      ASP  59  -3.261  11.689  -7.549
  425    H    ALA  60           HN       ALA  60  -0.440  10.025  -8.276
  426    HA   ALA  60           HA       ALA  60  -2.224   8.538  -9.916
  427   1HB   ALA  60           HB3      ALA  60   0.509   9.320  -9.994
  428   2HB   ALA  60           HB2      ALA  60   0.465   7.577 -10.254
  429   3HB   ALA  60           HB1      ALA  60  -0.456   8.649 -11.309
  430    H    ILE  61           HN       ILE  61   0.323   7.330  -7.700
  431    HA   ILE  61           HA       ILE  61  -0.418   4.571  -7.999
  432    HB   ILE  61           HB       ILE  61   0.724   5.561  -5.414
  433   1HG1  ILE  61          HG12      ILE  61   2.929   5.300  -7.079
  434   2HG1  ILE  61          HG11      ILE  61   1.779   6.202  -8.069
  435   1HG2  ILE  61          HG22      ILE  61   0.410   3.095  -6.637
  436   2HG2  ILE  61          HG21      ILE  61   2.101   3.483  -6.949
  437   3HG2  ILE  61          HG23      ILE  61   1.498   3.441  -5.293
  438   1HD1  ILE  61          HD12      ILE  61   2.228   6.979  -5.200
  439   2HD1  ILE  61          HD11      ILE  61   3.348   7.523  -6.449
  440   3HD1  ILE  61          HD13      ILE  61   1.644   7.968  -6.537
  441    H    ILE  62           HN       ILE  62  -1.313   7.066  -5.620
  442    HA   ILE  62           HA       ILE  62  -2.888   5.484  -3.910
  443    HB   ILE  62           HB       ILE  62  -3.128   8.369  -4.776
  444   1HG1  ILE  62          HG12      ILE  62  -1.247   7.545  -3.281
  445   2HG1  ILE  62          HG11      ILE  62  -2.253   8.812  -2.576
  446   1HG2  ILE  62          HG23      ILE  62  -5.396   7.455  -4.205
  447   2HG2  ILE  62          HG22      ILE  62  -4.764   6.991  -2.625
  448   3HG2  ILE  62          HG21      ILE  62  -4.842   8.694  -3.078
  449   1HD1  ILE  62          HD13      ILE  62  -3.462   6.287  -1.990
  450   2HD1  ILE  62          HD12      ILE  62  -1.756   6.195  -1.552
  451   3HD1  ILE  62          HD11      ILE  62  -2.778   7.456  -0.861
  452    H    GLU  63           HN       GLU  63  -3.448   6.433  -7.189
  453    HA   GLU  63           HA       GLU  63  -6.329   6.041  -7.153
  454   1HB   GLU  63           HB2      GLU  63  -4.370   6.942  -9.025
  455   2HB   GLU  63           HB1      GLU  63  -5.240   5.597  -9.767
  456   1HG   GLU  63           HG2      GLU  63  -7.363   6.834  -8.812
  457   2HG   GLU  63           HG1      GLU  63  -6.296   8.238  -8.812
  458    H    GLU  64           HN       GLU  64  -3.514   4.053  -8.047
  459    HA   GLU  64           HA       GLU  64  -4.999   1.798  -8.989
  460   1HB   GLU  64           HB2      GLU  64  -2.955   0.571  -8.827
  461   2HB   GLU  64           HB1      GLU  64  -2.488   2.221  -9.234
  462   1HG   GLU  64           HG2      GLU  64  -1.176   2.234  -7.406
  463   2HG   GLU  64           HG1      GLU  64  -2.636   2.151  -6.420
  464    H    VAL  65           HN       VAL  65  -4.695   3.105  -5.863
  465    HA   VAL  65           HA       VAL  65  -5.800   0.575  -4.716
  466    HB   VAL  65           HB       VAL  65  -4.699   1.809  -2.530
  467   1HG1  VAL  65          HG13      VAL  65  -3.826  -0.364  -4.389
  468   2HG1  VAL  65          HG12      VAL  65  -2.716   0.138  -3.114
  469   3HG1  VAL  65          HG11      VAL  65  -4.321  -0.465  -2.700
  470   1HG2  VAL  65          HG23      VAL  65  -3.600   3.354  -4.383
  471   2HG2  VAL  65          HG22      VAL  65  -2.649   2.803  -3.005
  472   3HG2  VAL  65          HG21      VAL  65  -2.498   1.989  -4.562
  473    H    ASP  66           HN       ASP  66  -5.340   3.894  -3.467
  474    HA   ASP  66           HA       ASP  66  -7.970   3.929  -2.279
  475   1HB   ASP  66           HB2      ASP  66  -5.681   5.458  -2.026
  476   2HB   ASP  66           HB1      ASP  66  -6.790   6.556  -2.847
  477    H    GLU  67           HN       GLU  67  -9.358   3.383  -4.083
  478    HA   GLU  67           HA       GLU  67  -9.521   5.385  -6.270
  479   1HB   GLU  67           HB2      GLU  67  -9.533   2.942  -6.811
  480   2HB   GLU  67           HB1      GLU  67 -11.046   2.787  -5.918
  481   1HG   GLU  67           HG2      GLU  67 -11.674   4.864  -7.544
  482   2HG   GLU  67           HG1      GLU  67 -10.537   3.997  -8.578
  483    H    ASP  68           HN       ASP  68 -11.189   4.351  -3.389
  484    HA   ASP  68           HA       ASP  68 -13.792   5.352  -3.941
  485   1HB   ASP  68           HB2      ASP  68 -12.600   4.140  -1.791
  486   2HB   ASP  68           HB1      ASP  68 -12.819   5.783  -1.189
  487    H    GLY  69           HN       GLY  69 -10.948   6.982  -2.527
  488   1HA   GLY  69           HA2      GLY  69 -10.702   9.367  -3.457
  489   2HA   GLY  69           HA1      GLY  69 -12.373   9.579  -2.933
  490    H    SER  70           HN       SER  70  -9.493   8.103  -1.399
  491    HA   SER  70           HA       SER  70 -10.089   9.787   0.999
  492   1HB   SER  70           HB2      SER  70  -8.279   7.495   1.359
  493   2HB   SER  70           HB1      SER  70  -9.664   7.994   2.325
  494    HG   SER  70           HG       SER  70  -9.525   6.038   0.558
  495    H    GLY  71           HN       GLY  71  -7.856   9.216  -1.511
  496   1HA   GLY  71           HA2      GLY  71  -5.718  10.084  -1.934
  497   2HA   GLY  71           HA1      GLY  71  -6.134  11.345  -0.772
  498    H    THR  72           HN       THR  72  -6.048   7.921   0.044
  499    HA   THR  72           HA       THR  72  -3.376   8.085   1.225
  500    HB   THR  72           HB       THR  72  -4.484   9.208   3.013
  501    HG1  THR  72           HG1      THR  72  -4.035   7.822   4.585
  502   1HG2  THR  72          HG21      THR  72  -6.788   8.428   2.072
  503   2HG2  THR  72          HG23      THR  72  -6.593   7.068   3.177
  504   3HG2  THR  72          HG22      THR  72  -6.635   8.716   3.805
  505    H    ILE  73           HN       ILE  73  -2.845   5.969   2.342
  506    HA   ILE  73           HA       ILE  73  -4.444   3.753   1.122
  507    HB   ILE  73           HB       ILE  73  -1.471   3.988   1.652
  508   1HG1  ILE  73          HG12      ILE  73  -2.682   3.107  -0.932
  509   2HG1  ILE  73          HG11      ILE  73  -2.831   4.813  -0.510
  510   1HG2  ILE  73          HG21      ILE  73  -3.217   1.629   1.510
  511   2HG2  ILE  73          HG23      ILE  73  -1.885   1.584   0.355
  512   3HG2  ILE  73          HG22      ILE  73  -1.553   1.763   2.078
  513   1HD1  ILE  73          HD13      ILE  73  -0.193   3.339  -0.399
  514   2HD1  ILE  73          HD12      ILE  73  -0.748   4.183  -1.844
  515   3HD1  ILE  73          HD11      ILE  73  -0.461   5.081  -0.354
  516    H    ASP  74           HN       ASP  74  -4.984   2.011   2.458
  517    HA   ASP  74           HA       ASP  74  -4.427   2.424   5.363
  518   1HB   ASP  74           HB2      ASP  74  -6.541   0.617   4.168
  519   2HB   ASP  74           HB1      ASP  74  -6.450   1.239   5.817
  520    H    PHE  75           HN       PHE  75  -5.199  -0.319   6.028
  521    HA   PHE  75           HA       PHE  75  -2.606  -1.578   5.499
  522   1HB   PHE  75           HB2      PHE  75  -3.103  -3.008   7.251
  523   2HB   PHE  75           HB1      PHE  75  -4.125  -1.643   7.684
  524    HD1  PHE  75           HD2      PHE  75  -6.461  -1.772   6.090
  525    HD2  PHE  75           HD1      PHE  75  -4.150  -5.039   7.650
  526    HE1  PHE  75           HE2      PHE  75  -8.456  -3.242   5.970
  527    HE2  PHE  75           HE1      PHE  75  -6.143  -6.509   7.530
  528    HZ   PHE  75           HZ       PHE  75  -8.297  -5.610   6.691
  529    H    GLU  76           HN       GLU  76  -5.797  -1.688   4.182
  530    HA   GLU  76           HA       GLU  76  -5.422  -4.317   2.917
  531   1HB   GLU  76           HB2      GLU  76  -7.621  -2.512   3.402
  532   2HB   GLU  76           HB1      GLU  76  -7.562  -2.932   1.690
  533   1HG   GLU  76           HG2      GLU  76  -7.173  -5.145   3.652
  534   2HG   GLU  76           HG1      GLU  76  -8.803  -4.490   3.482
  535    H    GLU  77           HN       GLU  77  -5.644  -0.912   1.836
  536    HA   GLU  77           HA       GLU  77  -5.104  -1.472  -0.923
  537   1HB   GLU  77           HB2      GLU  77  -5.050   0.947   0.826
  538   2HB   GLU  77           HB1      GLU  77  -4.190   1.039  -0.712
  539   1HG   GLU  77           HG2      GLU  77  -6.158   0.573  -1.962
  540   2HG   GLU  77           HG1      GLU  77  -7.032   0.030  -0.530
  541    H    PHE  78           HN       PHE  78  -3.058  -1.199   1.880
  542    HA   PHE  78           HA       PHE  78  -0.591  -0.876   0.331
  543   1HB   PHE  78           HB2      PHE  78  -1.266  -0.324   2.922
  544   2HB   PHE  78           HB1      PHE  78  -0.423  -1.861   3.115
  545    HD1  PHE  78           HD2      PHE  78   0.068   1.016   0.757
  546    HD2  PHE  78           HD1      PHE  78   1.760  -1.456   3.835
  547    HE1  PHE  78           HE2      PHE  78   2.244   2.177   0.495
  548    HE2  PHE  78           HE1      PHE  78   3.934  -0.295   3.574
  549    HZ   PHE  78           HZ       PHE  78   4.177   1.522   1.904
  550    H    LEU  79           HN       LEU  79  -2.621  -3.465   1.287
  551    HA   LEU  79           HA       LEU  79  -0.563  -5.520   1.385
  552   1HB   LEU  79           HB2      LEU  79  -3.575  -5.530   1.274
  553   2HB   LEU  79           HB1      LEU  79  -2.661  -7.029   1.100
  554    HG   LEU  79           HG       LEU  79  -2.124  -5.141   3.388
  555   1HD1  LEU  79          HD13      LEU  79  -4.490  -6.799   2.924
  556   2HD1  LEU  79          HD12      LEU  79  -3.649  -7.222   4.415
  557   3HD1  LEU  79          HD11      LEU  79  -4.208  -5.569   4.156
  558   1HD2  LEU  79          HD21      LEU  79  -1.575  -8.027   2.712
  559   2HD2  LEU  79          HD23      LEU  79  -0.438  -6.779   3.223
  560   3HD2  LEU  79          HD22      LEU  79  -1.558  -7.482   4.390
  561    H    VAL  80           HN       VAL  80  -3.168  -4.823  -0.983
  562    HA   VAL  80           HA       VAL  80  -2.420  -6.643  -2.966
  563    HB   VAL  80           HB       VAL  80  -4.429  -5.130  -3.028
  564   1HG1  VAL  80          HG11      VAL  80  -2.976  -3.071  -2.502
  565   2HG1  VAL  80          HG13      VAL  80  -2.542  -3.087  -4.212
  566   3HG1  VAL  80          HG12      VAL  80  -4.225  -2.868  -3.731
  567   1HG2  VAL  80          HG22      VAL  80  -2.763  -6.038  -5.179
  568   2HG2  VAL  80          HG21      VAL  80  -4.515  -5.837  -5.166
  569   3HG2  VAL  80          HG23      VAL  80  -3.477  -4.493  -5.642
  570    H    MET  81           HN       MET  81  -1.127  -3.360  -2.445
  571    HA   MET  81           HA       MET  81   0.622  -3.362  -4.706
  572   1HB   MET  81           HB2      MET  81  -0.074  -1.476  -2.928
  573   2HB   MET  81           HB1      MET  81   1.473  -1.948  -2.224
  574   1HG   MET  81           HG2      MET  81   2.652  -1.440  -4.241
  575   2HG   MET  81           HG1      MET  81   1.153  -1.287  -5.158
  576   1HE   MET  81           HE3      MET  81   2.465  -0.163  -1.718
  577   2HE   MET  81           HE2      MET  81   3.727   0.368  -2.827
  578   3HE   MET  81           HE1      MET  81   2.777   1.563  -1.947
  579    H    MET  82           HN       MET  82   1.177  -4.317  -1.309
  580    HA   MET  82           HA       MET  82   3.946  -5.020  -1.743
  581   1HB   MET  82           HB2      MET  82   1.969  -5.265   0.440
  582   2HB   MET  82           HB1      MET  82   3.209  -6.521   0.420
  583   1HG   MET  82           HG2      MET  82   4.175  -4.791   1.710
  584   2HG   MET  82           HG1      MET  82   4.892  -4.586   0.112
  585   1HE   MET  82           HE2      MET  82   5.688  -2.630   0.558
  586   2HE   MET  82           HE1      MET  82   4.887  -1.115   0.147
  587   3HE   MET  82           HE3      MET  82   4.963  -1.652   1.832
  588    H    VAL  83           HN       VAL  83   1.000  -6.546  -2.572
  589    HA   VAL  83           HA       VAL  83   1.857  -9.295  -2.412
  590    HB   VAL  83           HB       VAL  83  -0.232  -7.954  -4.156
  591   1HG1  VAL  83          HG11      VAL  83   0.512 -10.850  -3.729
  592   2HG1  VAL  83          HG13      VAL  83  -1.106 -10.378  -4.248
  593   3HG1  VAL  83          HG12      VAL  83   0.290  -9.992  -5.253
  594   1HG2  VAL  83          HG23      VAL  83  -0.136  -8.996  -1.387
  595   2HG2  VAL  83          HG22      VAL  83  -1.214  -7.796  -2.101
  596   3HG2  VAL  83          HG21      VAL  83  -1.533  -9.515  -2.327
  597    H    ARG  84           HN       ARG  84   1.665  -7.017  -5.171
  598    HA   ARG  84           HA       ARG  84   2.889  -8.714  -7.087
  599   1HB   ARG  84           HB2      ARG  84   3.072  -5.691  -6.862
  600   2HB   ARG  84           HB1      ARG  84   3.425  -6.636  -8.310
  601   1HG   ARG  84           HG2      ARG  84   1.174  -7.269  -8.597
  602   2HG   ARG  84           HG1      ARG  84   0.758  -6.874  -6.929
  603   1HD   ARG  84           HD2      ARG  84  -0.058  -4.957  -7.861
  604   2HD   ARG  84           HD1      ARG  84   1.631  -4.450  -7.802
  605    HE   ARG  84           HE       ARG  84   1.813  -4.940 -10.173
  606   1HH1  ARG  84          HH11      ARG  84  -0.245  -7.177 -10.203
  607   2HH1  ARG  84          HH12      ARG  84  -1.534  -6.441 -11.096
  608   1HH2  ARG  84          HH21      ARG  84  -0.307  -3.219 -10.723
  609   2HH2  ARG  84          HH22      ARG  84  -1.569  -4.200 -11.389
  610    H    GLN  85           HN       GLN  85   4.538  -5.937  -5.543
  611    HA   GLN  85           HA       GLN  85   7.123  -7.302  -5.914
  612   1HB   GLN  85           HB2      GLN  85   6.785  -4.818  -6.304
  613   2HB   GLN  85           HB1      GLN  85   6.586  -4.645  -4.559
  614   1HG   GLN  85           HG2      GLN  85   8.882  -4.210  -4.912
  615   2HG   GLN  85           HG1      GLN  85   8.846  -5.890  -4.377
  616   1HE2  GLN  85          HE22      GLN  85  10.646  -5.196  -7.795
  617   2HE2  GLN  85          HE21      GLN  85  10.508  -4.120  -6.490
  618    H    MET  86           HN       MET  86   6.701  -9.077  -4.404
  619    HA   MET  86           HA       MET  86   6.162  -8.526  -1.604
  620   1HB   MET  86           HB2      MET  86   6.675 -10.900  -3.289
  621   2HB   MET  86           HB1      MET  86   7.229 -11.044  -1.620
  622   1HG   MET  86           HG2      MET  86   4.708  -9.832  -1.435
  623   2HG   MET  86           HG1      MET  86   4.517 -11.088  -2.657
  624   1HE   MET  86           HE3      MET  86   2.792 -11.780  -1.164
  625   2HE   MET  86           HE2      MET  86   3.412 -13.383  -1.551
  626   3HE   MET  86           HE1      MET  86   2.993 -12.987   0.114
  627    H    LYS  87           HN       LYS  87   7.631  -8.311   0.070
  628    HA   LYS  87           HA       LYS  87  10.378  -7.656  -0.640
  629   1HB   LYS  87           HB2      LYS  87   8.630  -7.290   1.628
  630   2HB   LYS  87           HB1      LYS  87  10.171  -7.957   2.165
  631   1HG   LYS  87           HG2      LYS  87  11.213  -6.154   0.580
  632   2HG   LYS  87           HG1      LYS  87   9.636  -5.375   0.720
  633   1HD   LYS  87           HD2      LYS  87  11.067  -4.472   2.451
  634   2HD   LYS  87           HD1      LYS  87   9.870  -5.515   3.223
  635   1HE   LYS  87           HE2      LYS  87  11.423  -7.105   3.797
  636   2HE   LYS  87           HE1      LYS  87  12.404  -6.813   2.360
  637   1HZ   LYS  87           HZ1      LYS  87  12.216  -4.987   4.694
  638   2HZ   LYS  87           HZ3      LYS  87  13.493  -6.064   4.403
  639   3HZ   LYS  87           HZ2      LYS  87  13.208  -4.777   3.330
  640    H    GLU  88           HN       GLU  88   8.700 -10.507   0.368
  641    HA   GLU  88           HA       GLU  88  10.799 -11.929   1.657
  642   1HB   GLU  88           HB2      GLU  88   8.334 -12.698   0.145
  643   2HB   GLU  88           HB1      GLU  88   9.533 -13.951   0.468
  644   1HG   GLU  88           HG2      GLU  88   9.339 -12.614   2.893
  645   2HG   GLU  88           HG1      GLU  88   7.676 -12.640   2.309
  646    H    ASP  89           HN       ASP  89  10.432 -10.926  -1.606
  647    HA   ASP  89           HA       ASP  89  11.968 -11.112  -3.384
  648   1HB   ASP  89           HB2      ASP  89  13.481 -11.865  -1.097
  649   2HB   ASP  89           HB1      ASP  89  13.805 -13.068  -2.346
  650    H    ALA  90           HN       ALA  90   9.718 -13.020  -2.696
  651    HA   ALA  90           HA       ALA  90  10.534 -15.642  -3.620
  652   1HB   ALA  90           HB2      ALA  90   7.893 -14.272  -3.165
  653   2HB   ALA  90           HB1      ALA  90   7.948 -15.825  -4.001
  654   3HB   ALA  90           HB3      ALA  90   8.562 -15.688  -2.353
   
  No H/Q in entry =         654
  Start of MODEL   24
    1   1H    ALA   1           HT1      ALA   1  -6.987  -4.459 -12.107
    2   2H    ALA   1           HT3      ALA   1  -6.408  -5.761 -11.188
    3   3H    ALA   1           HT2      ALA   1  -6.665  -5.949 -12.856
    4    HA   ALA   1           HA       ALA   1  -8.881  -6.217 -12.654
    5   1HB   ALA   1           HB3      ALA   1  -7.499  -7.094 -10.171
    6   2HB   ALA   1           HB2      ALA   1  -9.262  -7.073 -10.119
    7   3HB   ALA   1           HB1      ALA   1  -8.428  -8.039 -11.335
    8    H    SER   2           HN       SER   2 -10.742  -5.953 -10.681
    9    HA   SER   2           HA       SER   2 -11.215  -3.098 -10.639
   10   1HB   SER   2           HB2      SER   2 -12.669  -5.030  -8.851
   11   2HB   SER   2           HB1      SER   2 -13.298  -3.624  -9.706
   12    HG   SER   2           HG       SER   2 -13.890  -5.073 -11.118
   13    H    MET   3           HN       MET   3 -11.105  -5.326  -7.859
   14    HA   MET   3           HA       MET   3  -9.007  -4.099  -6.429
   15   1HB   MET   3           HB2      MET   3 -10.183  -2.652  -4.849
   16   2HB   MET   3           HB1      MET   3 -10.483  -2.081  -6.490
   17   1HG   MET   3           HG2      MET   3 -12.683  -2.920  -6.512
   18   2HG   MET   3           HG1      MET   3 -12.373  -4.024  -5.173
   19   1HE   MET   3           HE2      MET   3 -11.689  -3.377  -2.947
   20   2HE   MET   3           HE1      MET   3 -10.705  -1.930  -3.140
   21   3HE   MET   3           HE3      MET   3 -12.125  -1.903  -2.087
   22    H    THR   4           HN       THR   4 -12.113  -5.725  -6.377
   23    HA   THR   4           HA       THR   4 -11.978  -6.791  -3.729
   24    HB   THR   4           HB       THR   4 -13.311  -7.787  -6.257
   25    HG1  THR   4           HG1      THR   4 -14.007  -6.244  -4.034
   26   1HG2  THR   4          HG21      THR   4 -13.536  -8.834  -3.427
   27   2HG2  THR   4          HG23      THR   4 -14.572  -9.314  -4.770
   28   3HG2  THR   4          HG22      THR   4 -12.852  -9.700  -4.802
   29    H    ASP   5           HN       ASP   5 -11.797  -9.009  -6.481
   30    HA   ASP   5           HA       ASP   5 -10.201 -10.936  -5.251
   31   1HB   ASP   5           HB2      ASP   5 -11.305 -10.805  -7.675
   32   2HB   ASP   5           HB1      ASP   5  -9.664 -10.351  -8.137
   33    H    GLN   6           HN       GLN   6  -9.265  -7.862  -6.609
   34    HA   GLN   6           HA       GLN   6  -6.522  -8.146  -7.024
   35   1HB   GLN   6           HB2      GLN   6  -7.651  -6.028  -7.414
   36   2HB   GLN   6           HB1      GLN   6  -8.010  -5.863  -5.697
   37   1HG   GLN   6           HG2      GLN   6  -6.058  -4.763  -5.471
   38   2HG   GLN   6           HG1      GLN   6  -5.236  -6.284  -5.820
   39   1HE2  GLN   6          HE22      GLN   6  -3.811  -4.498  -8.548
   40   2HE2  GLN   6          HE21      GLN   6  -3.523  -5.144  -7.004
   41    H    GLN   7           HN       GLN   7  -8.111  -7.366  -3.912
   42    HA   GLN   7           HA       GLN   7  -5.601  -7.802  -2.457
   43   1HB   GLN   7           HB2      GLN   7  -7.083  -7.401  -0.443
   44   2HB   GLN   7           HB1      GLN   7  -7.064  -6.080  -1.612
   45   1HG   GLN   7           HG2      GLN   7  -9.250  -6.367  -2.147
   46   2HG   GLN   7           HG1      GLN   7  -9.106  -8.125  -2.165
   47   1HE2  GLN   7          HE22      GLN   7 -11.261  -7.170   0.743
   48   2HE2  GLN   7          HE21      GLN   7 -11.363  -6.952  -0.936
   49    H    ALA   8           HN       ALA   8  -8.253  -9.715  -3.504
   50    HA   ALA   8           HA       ALA   8  -8.169 -11.690  -1.380
   51   1HB   ALA   8           HB2      ALA   8  -9.928 -11.170  -3.380
   52   2HB   ALA   8           HB1      ALA   8  -9.050 -12.527  -4.087
   53   3HB   ALA   8           HB3      ALA   8  -9.860 -12.713  -2.531
   54    H    GLU   9           HN       GLU   9  -7.353 -12.228  -4.818
   55    HA   GLU   9           HA       GLU   9  -5.807 -14.506  -4.532
   56   1HB   GLU   9           HB2      GLU   9  -6.165 -12.510  -6.539
   57   2HB   GLU   9           HB1      GLU   9  -4.435 -12.818  -6.391
   58   1HG   GLU   9           HG2      GLU   9  -5.443 -15.362  -6.281
   59   2HG   GLU   9           HG1      GLU   9  -6.579 -14.584  -7.384
   60    H    ALA  10           HN       ALA  10  -4.755 -11.151  -4.012
   61    HA   ALA  10           HA       ALA  10  -1.989 -11.760  -3.560
   62   1HB   ALA  10           HB3      ALA  10  -3.548  -9.450  -3.640
   63   2HB   ALA  10           HB2      ALA  10  -2.988  -9.523  -1.970
   64   3HB   ALA  10           HB1      ALA  10  -1.821  -9.522  -3.293
   65    H    ARG  11           HN       ARG  11  -4.765 -11.478  -1.343
   66    HA   ARG  11           HA       ARG  11  -3.306 -11.881   1.073
   67   1HB   ARG  11           HB2      ARG  11  -6.082 -11.792   0.244
   68   2HB   ARG  11           HB1      ARG  11  -5.827 -13.079   1.423
   69   1HG   ARG  11           HG2      ARG  11  -4.378 -11.144   2.601
   70   2HG   ARG  11           HG1      ARG  11  -5.540 -10.133   1.742
   71   1HD   ARG  11           HD2      ARG  11  -6.267 -12.431   3.583
   72   2HD   ARG  11           HD1      ARG  11  -6.338 -10.723   4.019
   73    HE   ARG  11           HE       ARG  11  -7.879 -11.423   1.623
   74   1HH1  ARG  11          HH11      ARG  11  -7.982  -9.577   4.325
   75   2HH1  ARG  11          HH12      ARG  11  -9.596  -9.982   4.805
   76   1HH2  ARG  11          HH21      ARG  11  -9.895 -12.594   2.544
   77   2HH2  ARG  11          HH22      ARG  11 -10.678 -11.692   3.797
   78    H    ALA  12           HN       ALA  12  -4.542 -14.138  -1.333
   79    HA   ALA  12           HA       ALA  12  -4.543 -16.569  -0.019
   80   1HB   ALA  12           HB2      ALA  12  -4.513 -15.808  -2.660
   81   2HB   ALA  12           HB1      ALA  12  -2.975 -16.658  -2.512
   82   3HB   ALA  12           HB3      ALA  12  -4.480 -17.480  -2.101
   83    H    PHE  13           HN       PHE  13  -1.744 -14.608  -0.865
   84    HA   PHE  13           HA       PHE  13   0.118 -16.684   0.107
   85   1HB   PHE  13           HB2      PHE  13   0.742 -15.325  -1.858
   86   2HB   PHE  13           HB1      PHE  13   0.625 -13.861  -0.884
   87    HD1  PHE  13           HD1      PHE  13   2.169 -17.261  -0.461
   88    HD2  PHE  13           HD2      PHE  13   2.681 -13.002  -0.235
   89    HE1  PHE  13           HE1      PHE  13   4.506 -17.582   0.306
   90    HE2  PHE  13           HE2      PHE  13   5.017 -13.323   0.532
   91    HZ   PHE  13           HZ       PHE  13   5.930 -15.613   0.802
   92    H    LEU  14           HN       LEU  14  -1.123 -13.507   1.065
   93    HA   LEU  14           HA       LEU  14   0.486 -13.555   3.542
   94   1HB   LEU  14           HB2      LEU  14  -1.624 -11.539   2.735
   95   2HB   LEU  14           HB1      LEU  14  -0.334 -11.329   3.918
   96    HG   LEU  14           HG       LEU  14  -0.049 -11.602   0.917
   97   1HD1  LEU  14          HD13      LEU  14   0.266  -9.427   2.947
   98   2HD1  LEU  14          HD12      LEU  14   1.348  -9.426   1.556
   99   3HD1  LEU  14          HD11      LEU  14  -0.398  -9.348   1.315
  100   1HD2  LEU  14          HD23      LEU  14   1.886 -12.056   3.144
  101   2HD2  LEU  14          HD22      LEU  14   1.834 -12.781   1.537
  102   3HD2  LEU  14          HD21      LEU  14   2.468 -11.148   1.749
  103    H    SER  15           HN       SER  15  -0.600 -15.521   4.390
  104    HA   SER  15           HA       SER  15  -3.301 -15.931   4.850
  105   1HB   SER  15           HB2      SER  15  -1.307 -17.369   5.609
  106   2HB   SER  15           HB1      SER  15  -1.267 -16.350   7.046
  107    HG   SER  15           HG       SER  15  -3.524 -17.793   6.092
  108    H    GLU  16           HN       GLU  16  -4.626 -15.502   6.827
  109    HA   GLU  16           HA       GLU  16  -4.827 -12.735   7.409
  110   1HB   GLU  16           HB2      GLU  16  -6.750 -14.116   7.769
  111   2HB   GLU  16           HB1      GLU  16  -5.866 -15.173   8.870
  112   1HG   GLU  16           HG2      GLU  16  -5.774 -13.512  10.567
  113   2HG   GLU  16           HG1      GLU  16  -6.238 -12.231   9.448
  114    H    GLU  17           HN       GLU  17  -2.686 -15.105   8.689
  115    HA   GLU  17           HA       GLU  17  -2.241 -13.822  11.259
  116   1HB   GLU  17           HB2      GLU  17  -1.019 -16.046   9.710
  117   2HB   GLU  17           HB1      GLU  17   0.025 -15.243  10.883
  118   1HG   GLU  17           HG2      GLU  17  -1.188 -15.981  12.677
  119   2HG   GLU  17           HG1      GLU  17  -2.721 -15.901  11.805
  120    H    MET  18           HN       MET  18  -0.796 -13.596   8.047
  121    HA   MET  18           HA       MET  18   1.456 -11.980   8.880
  122   1HB   MET  18           HB2      MET  18   0.616 -13.224   6.505
  123   2HB   MET  18           HB1      MET  18   0.630 -11.497   6.141
  124   1HG   MET  18           HG2      MET  18   2.889 -11.369   6.271
  125   2HG   MET  18           HG1      MET  18   2.952 -12.391   7.706
  126   1HE   MET  18           HE1      MET  18   3.594 -11.790   4.332
  127   2HE   MET  18           HE3      MET  18   5.052 -12.589   4.935
  128   3HE   MET  18           HE2      MET  18   4.149 -13.291   3.595
  129    H    ILE  19           HN       ILE  19  -1.669 -11.177   7.324
  130    HA   ILE  19           HA       ILE  19  -1.266  -8.360   7.270
  131    HB   ILE  19           HB       ILE  19  -3.931  -9.738   7.675
  132   1HG1  ILE  19          HG12      ILE  19  -3.271  -9.156   4.920
  133   2HG1  ILE  19          HG11      ILE  19  -2.050 -10.218   5.621
  134   1HG2  ILE  19          HG21      ILE  19  -3.517  -7.132   7.681
  135   2HG2  ILE  19          HG23      ILE  19  -3.398  -7.352   5.935
  136   3HG2  ILE  19          HG22      ILE  19  -4.875  -7.806   6.782
  137   1HD1  ILE  19          HD13      ILE  19  -4.758 -10.977   6.410
  138   2HD1  ILE  19          HD12      ILE  19  -4.538 -11.012   4.661
  139   3HD1  ILE  19          HD11      ILE  19  -3.481 -11.965   5.701
  140    H    ALA  20           HN       ALA  20  -2.472 -10.504   9.810
  141    HA   ALA  20           HA       ALA  20  -3.380  -8.456  11.591
  142   1HB   ALA  20           HB3      ALA  20  -2.889 -11.326  11.685
  143   2HB   ALA  20           HB2      ALA  20  -2.426 -10.538  13.193
  144   3HB   ALA  20           HB1      ALA  20  -4.070 -10.366  12.576
  145    H    GLU  21           HN       GLU  21  -0.203  -9.660  10.795
  146    HA   GLU  21           HA       GLU  21   1.047  -8.393  13.141
  147   1HB   GLU  21           HB2      GLU  21   1.819 -10.329  11.132
  148   2HB   GLU  21           HB1      GLU  21   3.023  -9.043  11.234
  149   1HG   GLU  21           HG2      GLU  21   1.927 -10.347  13.723
  150   2HG   GLU  21           HG1      GLU  21   3.281 -11.058  12.842
  151    H    PHE  22           HN       PHE  22   0.484  -7.711   9.738
  152    HA   PHE  22           HA       PHE  22   2.322  -5.464   9.615
  153   1HB   PHE  22           HB2      PHE  22   0.882  -6.935   7.752
  154   2HB   PHE  22           HB1      PHE  22   0.072  -5.368   7.746
  155    HD1  PHE  22           HD1      PHE  22   3.437  -6.974   7.527
  156    HD2  PHE  22           HD2      PHE  22   1.055  -3.500   6.682
  157    HE1  PHE  22           HE1      PHE  22   5.307  -6.010   6.216
  158    HE2  PHE  22           HE2      PHE  22   2.926  -2.537   5.370
  159    HZ   PHE  22           HZ       PHE  22   5.051  -3.792   5.137
  160    H    LYS  23           HN       LYS  23  -1.012  -5.913  10.591
  161    HA   LYS  23           HA       LYS  23  -2.059  -3.332  10.365
  162   1HB   LYS  23           HB2      LYS  23  -2.416  -5.539  12.356
  163   2HB   LYS  23           HB1      LYS  23  -3.103  -3.958  12.732
  164   1HG   LYS  23           HG2      LYS  23  -4.411  -3.956  10.713
  165   2HG   LYS  23           HG1      LYS  23  -3.580  -5.389  10.106
  166   1HD   LYS  23           HD2      LYS  23  -5.300  -6.553  11.011
  167   2HD   LYS  23           HD1      LYS  23  -4.513  -6.242  12.559
  168   1HE   LYS  23           HE2      LYS  23  -6.799  -5.527  12.782
  169   2HE   LYS  23           HE1      LYS  23  -5.815  -4.068  12.665
  170   1HZ   LYS  23           HZ2      LYS  23  -6.625  -5.060  10.107
  171   2HZ   LYS  23           HZ1      LYS  23  -7.953  -4.683  11.097
  172   3HZ   LYS  23           HZ3      LYS  23  -6.784  -3.500  10.763
  173    H    ALA  24           HN       ALA  24   0.401  -4.532  12.556
  174    HA   ALA  24           HA       ALA  24   0.398  -2.083  14.178
  175   1HB   ALA  24           HB2      ALA  24   1.023  -4.411  15.032
  176   2HB   ALA  24           HB1      ALA  24   2.523  -4.235  14.122
  177   3HB   ALA  24           HB3      ALA  24   2.151  -3.116  15.434
  178    H    ALA  25           HN       ALA  25   2.239  -3.477  11.506
  179    HA   ALA  25           HA       ALA  25   4.471  -1.751  11.501
  180   1HB   ALA  25           HB2      ALA  25   3.750  -3.759   9.908
  181   2HB   ALA  25           HB1      ALA  25   3.168  -2.438   8.895
  182   3HB   ALA  25           HB3      ALA  25   4.870  -2.517   9.349
  183    H    PHE  26           HN       PHE  26   1.153  -1.190  10.472
  184    HA   PHE  26           HA       PHE  26   1.400   1.123   8.923
  185   1HB   PHE  26           HB2      PHE  26  -0.673  -0.156  10.449
  186   2HB   PHE  26           HB1      PHE  26  -0.747   1.582  10.733
  187    HD1  PHE  26           HD2      PHE  26  -0.807  -1.055   8.127
  188    HD2  PHE  26           HD1      PHE  26  -1.370   3.116   8.987
  189    HE1  PHE  26           HE2      PHE  26  -1.839  -0.733   5.894
  190    HE2  PHE  26           HE1      PHE  26  -2.403   3.437   6.755
  191    HZ   PHE  26           HZ       PHE  26  -2.637   1.512   5.208
  192    H    ASP  27           HN       ASP  27   1.499   0.833  12.463
  193    HA   ASP  27           HA       ASP  27   1.461   3.455  13.307
  194   1HB   ASP  27           HB2      ASP  27   1.994   1.275  14.635
  195   2HB   ASP  27           HB1      ASP  27   3.677   1.654  14.267
  196    H    MET  28           HN       MET  28   4.346   1.789  11.997
  197    HA   MET  28           HA       MET  28   6.080   4.045  12.115
  198   1HB   MET  28           HB2      MET  28   6.113   1.391  10.947
  199   2HB   MET  28           HB1      MET  28   6.828   2.566   9.843
  200   1HG   MET  28           HG2      MET  28   8.424   3.274  11.470
  201   2HG   MET  28           HG1      MET  28   7.573   2.438  12.771
  202   1HE   MET  28           HE2      MET  28  10.308   2.704  10.840
  203   2HE   MET  28           HE1      MET  28  11.054   1.131  10.563
  204   3HE   MET  28           HE3      MET  28   9.859   1.761   9.421
  205    H    PHE  29           HN       PHE  29   3.936   2.893   9.506
  206    HA   PHE  29           HA       PHE  29   4.663   4.915   7.615
  207   1HB   PHE  29           HB2      PHE  29   2.308   3.090   7.969
  208   2HB   PHE  29           HB1      PHE  29   2.211   4.397   6.788
  209    HD1  PHE  29           HD2      PHE  29   4.684   4.653   5.512
  210    HD2  PHE  29           HD1      PHE  29   2.893   1.049   7.013
  211    HE1  PHE  29           HE2      PHE  29   6.035   3.319   3.919
  212    HE2  PHE  29           HE1      PHE  29   4.245  -0.286   5.419
  213    HZ   PHE  29           HZ       PHE  29   5.816   0.850   3.871
  214    H    ASP  30           HN       ASP  30   1.315   4.891   8.664
  215    HA   ASP  30           HA       ASP  30   1.073   7.718   8.640
  216   1HB   ASP  30           HB2      ASP  30  -0.707   5.695   8.818
  217   2HB   ASP  30           HB1      ASP  30  -0.681   6.206  10.506
  218    H    ALA  31           HN       ALA  31  -0.123   8.385  11.108
  219    HA   ALA  31           HA       ALA  31   1.791   7.801  13.254
  220   1HB   ALA  31           HB3      ALA  31   1.812  10.369  11.720
  221   2HB   ALA  31           HB2      ALA  31   2.056  10.446  13.465
  222   3HB   ALA  31           HB1      ALA  31   3.153   9.498  12.461
  223    H    ASP  32           HN       ASP  32  -0.623  10.273  12.292
  224    HA   ASP  32           HA       ASP  32  -1.786  10.126  15.009
  225   1HB   ASP  32           HB2      ASP  32  -2.961  11.813  12.831
  226   2HB   ASP  32           HB1      ASP  32  -2.799  12.162  14.552
  227    H    GLY  33           HN       GLY  33  -2.400   9.023  11.767
  228   1HA   GLY  33           HA2      GLY  33  -5.225   8.423  12.279
  229   2HA   GLY  33           HA1      GLY  33  -4.320   7.986  10.829
  230    H    GLY  34           HN       GLY  34  -2.576   6.248  11.235
  231   1HA   GLY  34           HA2      GLY  34  -1.882   4.222  12.299
  232   2HA   GLY  34           HA1      GLY  34  -3.201   4.409  13.456
  233    H    GLY  35           HN       GLY  35  -4.012   4.829  10.132
  234   1HA   GLY  35           HA2      GLY  35  -4.531   2.120   9.393
  235   2HA   GLY  35           HA1      GLY  35  -5.985   2.792  10.133
  236    H    ASP  36           HN       ASP  36  -3.669   4.672   8.254
  237    HA   ASP  36           HA       ASP  36  -5.068   4.552   5.753
  238   1HB   ASP  36           HB2      ASP  36  -5.851   7.073   6.037
  239   2HB   ASP  36           HB1      ASP  36  -6.892   5.744   6.548
  240    H    ILE  37           HN       ILE  37  -2.906   4.511   4.984
  241    HA   ILE  37           HA       ILE  37  -0.959   6.520   5.688
  242    HB   ILE  37           HB       ILE  37  -1.004   4.885   3.140
  243   1HG1  ILE  37          HG12      ILE  37  -0.138   4.106   5.941
  244   2HG1  ILE  37          HG11      ILE  37  -1.389   3.335   4.965
  245   1HG2  ILE  37          HG21      ILE  37   0.737   6.821   4.002
  246   2HG2  ILE  37          HG23      ILE  37   1.489   5.361   4.646
  247   3HG2  ILE  37          HG22      ILE  37   1.175   5.502   2.917
  248   1HD1  ILE  37          HD12      ILE  37   0.989   3.388   3.400
  249   2HD1  ILE  37          HD11      ILE  37   1.427   2.788   5.000
  250   3HD1  ILE  37          HD13      ILE  37   0.166   1.979   4.070
  251    H    SER  38           HN       SER  38  -0.316   8.360   4.494
  252    HA   SER  38           HA       SER  38  -2.228   9.214   2.356
  253   1HB   SER  38           HB2      SER  38  -0.887  10.970   4.436
  254   2HB   SER  38           HB1      SER  38  -1.981  11.520   3.169
  255    HG   SER  38           HG       SER  38  -2.503  10.242   5.556
  256    H    THR  39           HN       THR  39  -1.252  10.707   0.759
  257    HA   THR  39           HA       THR  39   1.131   9.832  -0.374
  258    HB   THR  39           HB       THR  39   1.268  12.101  -1.458
  259    HG1  THR  39           HG1      THR  39  -0.653  12.571   0.526
  260   1HG2  THR  39          HG21      THR  39  -0.939  10.211  -1.501
  261   2HG2  THR  39          HG23      THR  39  -1.471  11.829  -1.958
  262   3HG2  THR  39          HG22      THR  39  -0.161  11.049  -2.844
  263    H    LYS  40           HN       LYS  40   0.718  12.191   2.224
  264    HA   LYS  40           HA       LYS  40   3.290  13.315   2.317
  265   1HB   LYS  40           HB2      LYS  40   1.461  14.030   3.801
  266   2HB   LYS  40           HB1      LYS  40   1.544  12.489   4.657
  267   1HG   LYS  40           HG2      LYS  40   3.684  12.968   5.550
  268   2HG   LYS  40           HG1      LYS  40   3.961  14.278   4.400
  269   1HD   LYS  40           HD2      LYS  40   2.979  15.773   5.766
  270   2HD   LYS  40           HD1      LYS  40   1.546  14.758   5.929
  271   1HE   LYS  40           HE2      LYS  40   3.031  13.332   7.530
  272   2HE   LYS  40           HE1      LYS  40   4.046  14.773   7.606
  273   1HZ   LYS  40           HZ2      LYS  40   1.680  15.873   7.982
  274   2HZ   LYS  40           HZ1      LYS  40   1.354  14.337   8.632
  275   3HZ   LYS  40           HZ3      LYS  40   2.618  15.275   9.265
  276    H    GLU  41           HN       GLU  41   2.338  10.694   4.556
  277    HA   GLU  41           HA       GLU  41   5.153   9.803   4.620
  278   1HB   GLU  41           HB2      GLU  41   2.718   8.826   6.146
  279   2HB   GLU  41           HB1      GLU  41   4.378   8.302   6.432
  280   1HG   GLU  41           HG2      GLU  41   3.365  11.151   6.681
  281   2HG   GLU  41           HG1      GLU  41   3.726  10.069   8.027
  282    H    LEU  42           HN       LEU  42   3.326   9.402   2.239
  283    HA   LEU  42           HA       LEU  42   2.956   6.480   2.176
  284   1HB   LEU  42           HB2      LEU  42   1.278   7.859   1.070
  285   2HB   LEU  42           HB1      LEU  42   2.517   8.628   0.079
  286    HG   LEU  42           HG       LEU  42   2.988   5.979  -0.433
  287   1HD1  LEU  42          HD12      LEU  42   0.805   5.603   0.940
  288   2HD1  LEU  42          HD11      LEU  42  -0.013   6.223  -0.493
  289   3HD1  LEU  42          HD13      LEU  42   0.979   4.770  -0.603
  290   1HD2  LEU  42          HD23      LEU  42   1.061   7.839  -1.863
  291   2HD2  LEU  42          HD22      LEU  42   2.809   7.789  -2.093
  292   3HD2  LEU  42          HD21      LEU  42   1.816   6.414  -2.577
  293    H    GLY  43           HN       GLY  43   5.135   8.921   0.822
  294   1HA   GLY  43           HA2      GLY  43   6.848   6.672  -0.156
  295   2HA   GLY  43           HA1      GLY  43   6.657   8.159  -1.086
  296    H    THR  44           HN       THR  44   6.708   9.947   1.182
  297    HA   THR  44           HA       THR  44   9.559  10.272   1.443
  298    HB   THR  44           HB       THR  44   9.030  12.170   2.847
  299    HG1  THR  44           HG1      THR  44   7.528  11.526   4.237
  300   1HG2  THR  44          HG23      THR  44   7.021  11.725   0.629
  301   2HG2  THR  44          HG22      THR  44   7.238  13.275   1.442
  302   3HG2  THR  44          HG21      THR  44   8.567  12.567   0.522
  303    H    VAL  45           HN       VAL  45   7.312   8.327   3.138
  304    HA   VAL  45           HA       VAL  45   8.352   8.366   5.771
  305    HB   VAL  45           HB       VAL  45   6.332   7.140   5.367
  306   1HG1  VAL  45          HG13      VAL  45   7.419   6.481   2.955
  307   2HG1  VAL  45          HG12      VAL  45   7.587   4.954   3.818
  308   3HG1  VAL  45          HG11      VAL  45   5.997   5.694   3.635
  309   1HG2  VAL  45          HG23      VAL  45   8.010   6.216   7.051
  310   2HG2  VAL  45          HG22      VAL  45   6.811   5.063   6.464
  311   3HG2  VAL  45          HG21      VAL  45   8.454   5.030   5.825
  312    H    MET  46           HN       MET  46   9.249   6.149   3.093
  313    HA   MET  46           HA       MET  46  11.667   5.368   4.598
  314   1HB   MET  46           HB2      MET  46  11.987   3.724   2.817
  315   2HB   MET  46           HB1      MET  46  10.321   3.651   3.389
  316   1HG   MET  46           HG2      MET  46   9.742   5.268   1.500
  317   2HG   MET  46           HG1      MET  46  11.355   4.950   0.862
  318   1HE   MET  46           HE2      MET  46   8.543   3.192   2.634
  319   2HE   MET  46           HE1      MET  46   7.665   3.591   1.160
  320   3HE   MET  46           HE3      MET  46   8.006   1.903   1.559
  321    H    ARG  47           HN       ARG  47  10.757   7.045   1.604
  322    HA   ARG  47           HA       ARG  47  13.548   7.579   0.897
  323   1HB   ARG  47           HB2      ARG  47  11.007   7.732  -0.408
  324   2HB   ARG  47           HB1      ARG  47  11.755   9.327  -0.476
  325   1HG   ARG  47           HG2      ARG  47  12.432   7.962  -2.415
  326   2HG   ARG  47           HG1      ARG  47  13.818   8.328  -1.388
  327   1HD   ARG  47           HD2      ARG  47  14.199   6.134  -1.056
  328   2HD   ARG  47           HD1      ARG  47  12.554   5.912  -0.459
  329    HE   ARG  47           HE       ARG  47  12.905   6.013  -3.397
  330   1HH1  ARG  47          HH11      ARG  47  11.049   4.743  -0.985
  331   2HH1  ARG  47          HH12      ARG  47  11.053   3.110  -1.561
  332   1HH2  ARG  47          HH21      ARG  47  13.509   3.675  -3.943
  333   2HH2  ARG  47          HH22      ARG  47  12.445   2.505  -3.236
  334    H    MET  48           HN       MET  48  11.774   8.717   3.357
  335    HA   MET  48           HA       MET  48  11.631  11.473   3.326
  336   1HB   MET  48           HB2      MET  48  11.731   9.506   5.326
  337   2HB   MET  48           HB1      MET  48  13.030  10.629   5.734
  338   1HG   MET  48           HG2      MET  48  11.578  12.428   6.001
  339   2HG   MET  48           HG1      MET  48  10.355  11.729   4.939
  340   1HE   MET  48           HE2      MET  48  11.763  12.217   8.345
  341   2HE   MET  48           HE1      MET  48  11.167  10.901   9.354
  342   3HE   MET  48           HE3      MET  48  12.404  10.590   8.130
  343    H    LEU  49           HN       LEU  49  14.560   9.509   3.597
  344    HA   LEU  49           HA       LEU  49  16.250  11.934   3.682
  345   1HB   LEU  49           HB2      LEU  49  17.580   9.327   3.305
  346   2HB   LEU  49           HB1      LEU  49  17.890  10.581   4.505
  347    HG   LEU  49           HG       LEU  49  15.509   9.714   5.413
  348   1HD1  LEU  49          HD12      LEU  49  15.667   7.983   3.434
  349   2HD1  LEU  49          HD11      LEU  49  16.751   7.125   4.528
  350   3HD1  LEU  49          HD13      LEU  49  15.087   7.454   5.013
  351   1HD2  LEU  49          HD21      LEU  49  18.084   9.652   6.289
  352   2HD2  LEU  49          HD23      LEU  49  16.740   8.938   7.181
  353   3HD2  LEU  49          HD22      LEU  49  17.757   7.925   6.156
  354    H    GLY  50           HN       GLY  50  14.791  11.902   1.336
  355   1HA   GLY  50           HA2      GLY  50  16.921  11.741  -0.649
  356   2HA   GLY  50           HA1      GLY  50  15.654  10.538  -0.894
  357    H    GLN  51           HN       GLN  51  13.965  11.184  -2.131
  358    HA   GLN  51           HA       GLN  51  12.589  13.614  -1.893
  359   1HB   GLN  51           HB2      GLN  51  14.938  14.333  -2.903
  360   2HB   GLN  51           HB1      GLN  51  14.150  13.860  -4.414
  361   1HG   GLN  51           HG2      GLN  51  12.179  15.256  -3.752
  362   2HG   GLN  51           HG1      GLN  51  13.106  15.829  -2.366
  363   1HE2  GLN  51          HE22      GLN  51  13.753  17.483  -5.995
  364   2HE2  GLN  51          HE21      GLN  51  12.511  16.358  -5.722
  365    H    ASN  52           HN       ASN  52  13.409  10.796  -3.738
  366    HA   ASN  52           HA       ASN  52  11.945  10.697  -5.991
  367   1HB   ASN  52           HB2      ASN  52  12.703   8.784  -4.083
  368   2HB   ASN  52           HB1      ASN  52  10.973   8.538  -4.326
  369   1HD2  ASN  52          HD22      ASN  52  11.774   8.298  -8.042
  370   2HD2  ASN  52          HD21      ASN  52  11.009   9.509  -7.133
  371    HA   PRO  53           HA       PRO  53   7.761  10.679  -3.717
  372   1HB   PRO  53           HB2      PRO  53   7.844  11.285  -1.043
  373   2HB   PRO  53           HB1      PRO  53   7.866   9.639  -1.689
  374   1HG   PRO  53           HG2      PRO  53  10.089  11.241  -0.532
  375   2HG   PRO  53           HG1      PRO  53   9.859   9.485  -0.546
  376   1HD   PRO  53           HD2      PRO  53  11.572  10.881  -2.225
  377   2HD   PRO  53           HD1      PRO  53  10.980   9.242  -2.528
  378    H    THR  54           HN       THR  54   6.705  12.550  -4.218
  379    HA   THR  54           HA       THR  54   7.655  15.111  -3.029
  380    HB   THR  54           HB       THR  54   6.796  14.821  -5.917
  381    HG1  THR  54           HG1      THR  54   8.815  13.722  -5.317
  382   1HG2  THR  54          HG23      THR  54   7.624  17.023  -4.137
  383   2HG2  THR  54          HG22      THR  54   8.357  17.036  -5.742
  384   3HG2  THR  54          HG21      THR  54   6.601  17.055  -5.573
  385    H    LYS  55           HN       LYS  55   5.840  16.845  -3.527
  386    HA   LYS  55           HA       LYS  55   3.414  15.928  -2.363
  387   1HB   LYS  55           HB2      LYS  55   4.137  18.320  -2.423
  388   2HB   LYS  55           HB1      LYS  55   3.777  18.352  -4.150
  389   1HG   LYS  55           HG2      LYS  55   1.617  17.319  -2.396
  390   2HG   LYS  55           HG1      LYS  55   1.967  19.042  -2.257
  391   1HD   LYS  55           HD2      LYS  55   1.049  19.487  -4.271
  392   2HD   LYS  55           HD1      LYS  55   1.913  18.154  -5.037
  393   1HE   LYS  55           HE2      LYS  55  -0.141  17.198  -5.209
  394   2HE   LYS  55           HE1      LYS  55   0.082  16.808  -3.503
  395   1HZ   LYS  55           HZ3      LYS  55  -0.806  19.333  -3.381
  396   2HZ   LYS  55           HZ2      LYS  55  -1.650  18.763  -4.741
  397   3HZ   LYS  55           HZ1      LYS  55  -1.800  17.966  -3.248
  398    H    GLU  56           HN       GLU  56   4.166  16.688  -5.767
  399    HA   GLU  56           HA       GLU  56   1.611  15.452  -6.589
  400   1HB   GLU  56           HB2      GLU  56   2.275  16.220  -8.876
  401   2HB   GLU  56           HB1      GLU  56   2.202  17.533  -7.702
  402   1HG   GLU  56           HG2      GLU  56   4.637  17.428  -7.399
  403   2HG   GLU  56           HG1      GLU  56   4.731  16.075  -8.526
  404    H    GLU  57           HN       GLU  57   5.026  14.737  -6.506
  405    HA   GLU  57           HA       GLU  57   5.014  12.653  -8.485
  406   1HB   GLU  57           HB2      GLU  57   7.059  13.797  -7.462
  407   2HB   GLU  57           HB1      GLU  57   6.819  12.748  -6.064
  408   1HG   GLU  57           HG2      GLU  57   8.233  11.399  -7.286
  409   2HG   GLU  57           HG1      GLU  57   6.693  10.877  -7.968
  410    H    LEU  58           HN       LEU  58   4.010  12.803  -5.152
  411    HA   LEU  58           HA       LEU  58   3.885   9.870  -4.884
  412   1HB   LEU  58           HB2      LEU  58   3.101  12.171  -3.081
  413   2HB   LEU  58           HB1      LEU  58   2.773  10.487  -2.670
  414    HG   LEU  58           HG       LEU  58   5.541  11.076  -3.555
  415   1HD1  LEU  58          HD11      LEU  58   4.270  12.636  -1.478
  416   2HD1  LEU  58          HD13      LEU  58   5.533  11.620  -0.785
  417   3HD1  LEU  58          HD12      LEU  58   5.921  12.743  -2.090
  418   1HD2  LEU  58          HD23      LEU  58   4.043   9.181  -1.900
  419   2HD2  LEU  58          HD22      LEU  58   5.586   8.969  -2.727
  420   3HD2  LEU  58          HD21      LEU  58   5.537   9.717  -1.132
  421    H    ASP  59           HN       ASP  59   2.023  12.205  -6.370
  422    HA   ASP  59           HA       ASP  59  -0.586  11.023  -5.682
  423   1HB   ASP  59           HB2      ASP  59  -0.164  13.518  -6.131
  424   2HB   ASP  59           HB1      ASP  59  -0.054  13.073  -7.835
  425    H    ALA  60           HN       ALA  60   1.916  10.445  -7.918
  426    HA   ALA  60           HA       ALA  60   0.134   9.373 -10.011
  427   1HB   ALA  60           HB1      ALA  60   3.059   9.861  -9.719
  428   2HB   ALA  60           HB3      ALA  60   2.576   8.540 -10.783
  429   3HB   ALA  60           HB2      ALA  60   1.999  10.177 -11.092
  430    H    ILE  61           HN       ILE  61   2.542   8.109  -7.694
  431    HA   ILE  61           HA       ILE  61   2.050   5.341  -8.354
  432    HB   ILE  61           HB       ILE  61   2.890   6.086  -5.586
  433   1HG1  ILE  61          HG12      ILE  61   5.250   6.244  -7.021
  434   2HG1  ILE  61          HG11      ILE  61   4.118   7.160  -8.020
  435   1HG2  ILE  61          HG21      ILE  61   3.684   4.078  -7.690
  436   2HG2  ILE  61          HG23      ILE  61   4.670   4.351  -6.254
  437   3HG2  ILE  61          HG22      ILE  61   3.010   3.780  -6.088
  438   1HD1  ILE  61          HD11      ILE  61   4.252   7.580  -5.040
  439   2HD1  ILE  61          HD13      ILE  61   5.347   8.432  -6.129
  440   3HD1  ILE  61          HD12      ILE  61   3.605   8.660  -6.274
  441    H    ILE  62           HN       ILE  62   0.304   7.702  -6.600
  442    HA   ILE  62           HA       ILE  62  -1.114   5.798  -4.895
  443    HB   ILE  62           HB       ILE  62  -1.385   8.750  -5.466
  444   1HG1  ILE  62          HG12      ILE  62   0.354   7.789  -3.876
  445   2HG1  ILE  62          HG11      ILE  62  -0.739   8.976  -3.165
  446   1HG2  ILE  62          HG23      ILE  62  -3.365   6.881  -4.238
  447   2HG2  ILE  62          HG22      ILE  62  -3.130   8.446  -3.462
  448   3HG2  ILE  62          HG21      ILE  62  -3.639   8.367  -5.148
  449   1HD1  ILE  62          HD12      ILE  62  -1.973   6.410  -2.935
  450   2HD1  ILE  62          HD11      ILE  62  -0.314   6.266  -2.356
  451   3HD1  ILE  62          HD13      ILE  62  -1.397   7.459  -1.641
  452    H    GLU  63           HN       GLU  63  -1.949   7.825  -7.719
  453    HA   GLU  63           HA       GLU  63  -4.585   7.145  -8.147
  454   1HB   GLU  63           HB2      GLU  63  -2.806   8.471  -9.629
  455   2HB   GLU  63           HB1      GLU  63  -2.791   6.953 -10.528
  456   1HG   GLU  63           HG2      GLU  63  -5.407   7.161 -10.376
  457   2HG   GLU  63           HG1      GLU  63  -5.063   8.868 -10.089
  458    H    GLU  64           HN       GLU  64  -1.826   5.009  -8.440
  459    HA   GLU  64           HA       GLU  64  -3.405   2.954  -9.842
  460   1HB   GLU  64           HB2      GLU  64  -1.395   1.693  -9.956
  461   2HB   GLU  64           HB1      GLU  64  -0.893   3.370 -10.171
  462   1HG   GLU  64           HG2      GLU  64  -0.761   3.195  -7.474
  463   2HG   GLU  64           HG1      GLU  64  -0.401   1.523  -7.899
  464    H    VAL  65           HN       VAL  65  -4.381   3.779  -7.206
  465    HA   VAL  65           HA       VAL  65  -4.838   1.169  -6.086
  466    HB   VAL  65           HB       VAL  65  -3.752   1.982  -3.790
  467   1HG1  VAL  65          HG13      VAL  65  -3.134   0.113  -5.768
  468   2HG1  VAL  65          HG12      VAL  65  -1.612   0.958  -5.482
  469   3HG1  VAL  65          HG11      VAL  65  -2.450   0.174  -4.143
  470   1HG2  VAL  65          HG22      VAL  65  -2.143   3.352  -5.960
  471   2HG2  VAL  65          HG21      VAL  65  -2.878   4.094  -4.539
  472   3HG2  VAL  65          HG23      VAL  65  -1.498   3.011  -4.356
  473    H    ASP  66           HN       ASP  66  -4.590   4.599  -5.083
  474    HA   ASP  66           HA       ASP  66  -6.774   4.572  -3.278
  475   1HB   ASP  66           HB2      ASP  66  -6.834   7.011  -3.595
  476   2HB   ASP  66           HB1      ASP  66  -5.167   6.448  -3.467
  477    H    GLU  67           HN       GLU  67  -8.455   3.308  -4.275
  478    HA   GLU  67           HA       GLU  67  -9.594   4.064  -6.836
  479   1HB   GLU  67           HB2      GLU  67  -9.754   1.759  -5.901
  480   2HB   GLU  67           HB1      GLU  67 -10.796   2.377  -4.619
  481   1HG   GLU  67           HG2      GLU  67 -12.600   2.434  -5.978
  482   2HG   GLU  67           HG1      GLU  67 -11.689   3.206  -7.277
  483    H    ASP  68           HN       ASP  68 -10.337   4.760  -3.447
  484    HA   ASP  68           HA       ASP  68 -12.863   6.050  -3.954
  485   1HB   ASP  68           HB2      ASP  68 -11.004   5.745  -1.685
  486   2HB   ASP  68           HB1      ASP  68 -11.918   7.253  -1.673
  487    H    GLY  69           HN       GLY  69  -9.614   6.997  -4.513
  488   1HA   GLY  69           HA2      GLY  69  -8.772   8.971  -5.478
  489   2HA   GLY  69           HA1      GLY  69 -10.439   9.518  -5.669
  490    H    SER  70           HN       SER  70  -8.044   8.975  -3.062
  491    HA   SER  70           HA       SER  70  -8.886  11.593  -1.914
  492   1HB   SER  70           HB2      SER  70  -8.415   9.121  -0.233
  493   2HB   SER  70           HB1      SER  70  -9.015  10.685   0.310
  494    HG   SER  70           HG       SER  70 -10.811   9.481   0.028
  495    H    GLY  71           HN       GLY  71  -6.432   9.913  -3.204
  496   1HA   GLY  71           HA2      GLY  71  -4.108  10.263  -3.163
  497   2HA   GLY  71           HA1      GLY  71  -4.403  11.624  -2.080
  498    H    THR  72           HN       THR  72  -5.583   8.432  -1.286
  499    HA   THR  72           HA       THR  72  -3.274   7.807   0.417
  500    HB   THR  72           HB       THR  72  -4.114   8.935   2.208
  501    HG1  THR  72           HG1      THR  72  -5.166   7.562   3.436
  502   1HG2  THR  72          HG22      THR  72  -6.654   8.972   0.602
  503   2HG2  THR  72          HG21      THR  72  -6.682   9.432   2.304
  504   3HG2  THR  72          HG23      THR  72  -5.676  10.328   1.166
  505    H    ILE  73           HN       ILE  73  -3.627   5.675   1.539
  506    HA   ILE  73           HA       ILE  73  -5.765   4.042   0.256
  507    HB   ILE  73           HB       ILE  73  -2.825   3.308   0.408
  508   1HG1  ILE  73          HG12      ILE  73  -3.934   3.090  -2.205
  509   2HG1  ILE  73          HG11      ILE  73  -4.409   4.666  -1.571
  510   1HG2  ILE  73          HG21      ILE  73  -5.307   1.740   0.019
  511   2HG2  ILE  73          HG23      ILE  73  -4.023   1.416  -1.146
  512   3HG2  ILE  73          HG22      ILE  73  -3.719   1.215   0.580
  513   1HD1  ILE  73          HD12      ILE  73  -1.568   3.656  -1.374
  514   2HD1  ILE  73          HD11      ILE  73  -2.146   4.554  -2.777
  515   3HD1  ILE  73          HD13      ILE  73  -2.152   5.309  -1.184
  516    H    ASP  74           HN       ASP  74  -6.384   2.195   1.511
  517    HA   ASP  74           HA       ASP  74  -5.805   2.508   4.388
  518   1HB   ASP  74           HB2      ASP  74  -7.658   0.573   2.959
  519   2HB   ASP  74           HB1      ASP  74  -7.602   0.863   4.699
  520    H    PHE  75           HN       PHE  75  -5.815   0.033   5.439
  521    HA   PHE  75           HA       PHE  75  -3.243  -1.026   4.550
  522   1HB   PHE  75           HB2      PHE  75  -3.134  -2.035   6.600
  523   2HB   PHE  75           HB1      PHE  75  -4.398  -0.875   6.991
  524    HD1  PHE  75           HD2      PHE  75  -6.821  -1.872   5.875
  525    HD2  PHE  75           HD1      PHE  75  -3.560  -4.103   7.558
  526    HE1  PHE  75           HE2      PHE  75  -8.365  -3.745   6.388
  527    HE2  PHE  75           HE1      PHE  75  -5.101  -5.975   8.068
  528    HZ   PHE  75           HZ       PHE  75  -7.505  -5.797   7.484
  529    H    GLU  76           HN       GLU  76  -6.433  -1.540   3.618
  530    HA   GLU  76           HA       GLU  76  -6.181  -4.403   3.042
  531   1HB   GLU  76           HB2      GLU  76  -8.398  -3.545   3.505
  532   2HB   GLU  76           HB1      GLU  76  -8.239  -2.328   2.238
  533   1HG   GLU  76           HG2      GLU  76  -7.679  -4.827   1.026
  534   2HG   GLU  76           HG1      GLU  76  -9.128  -5.057   2.004
  535    H    GLU  77           HN       GLU  77  -6.592  -1.507   0.963
  536    HA   GLU  77           HA       GLU  77  -5.676  -2.954  -1.390
  537   1HB   GLU  77           HB2      GLU  77  -7.269  -0.916  -1.297
  538   2HB   GLU  77           HB1      GLU  77  -5.802   0.051  -1.141
  539   1HG   GLU  77           HG2      GLU  77  -5.682  -0.002  -3.396
  540   2HG   GLU  77           HG1      GLU  77  -5.217  -1.695  -3.228
  541    H    PHE  78           HN       PHE  78  -4.151  -1.187   1.162
  542    HA   PHE  78           HA       PHE  78  -1.763  -0.407  -0.260
  543   1HB   PHE  78           HB2      PHE  78  -2.348   0.632   1.878
  544   2HB   PHE  78           HB1      PHE  78  -2.228  -0.929   2.693
  545    HD1  PHE  78           HD2      PHE  78  -0.090   0.845   0.166
  546    HD2  PHE  78           HD1      PHE  78  -0.319  -1.030   4.024
  547    HE1  PHE  78           HE2      PHE  78   2.345   1.191   0.479
  548    HE2  PHE  78           HE1      PHE  78   2.118  -0.685   4.335
  549    HZ   PHE  78           HZ       PHE  78   3.449   0.425   2.563
  550    H    LEU  79           HN       LEU  79  -2.937  -3.417   0.899
  551    HA   LEU  79           HA       LEU  79  -0.287  -4.648   1.171
  552   1HB   LEU  79           HB2      LEU  79  -3.119  -5.700   1.271
  553   2HB   LEU  79           HB1      LEU  79  -1.722  -6.778   1.314
  554    HG   LEU  79           HG       LEU  79  -1.759  -4.438   3.178
  555   1HD1  LEU  79          HD13      LEU  79  -4.021  -5.772   3.188
  556   2HD1  LEU  79          HD12      LEU  79  -3.067  -7.020   3.991
  557   3HD1  LEU  79          HD11      LEU  79  -3.218  -5.419   4.717
  558   1HD2  LEU  79          HD23      LEU  79  -0.416  -7.043   2.854
  559   2HD2  LEU  79          HD22      LEU  79   0.159  -5.572   3.638
  560   3HD2  LEU  79          HD21      LEU  79  -0.897  -6.682   4.512
  561    H    VAL  80           HN       VAL  80  -2.575  -4.067  -1.352
  562    HA   VAL  80           HA       VAL  80  -1.784  -6.254  -3.077
  563    HB   VAL  80           HB       VAL  80  -3.086  -5.184  -4.759
  564   1HG1  VAL  80          HG11      VAL  80  -4.156  -5.764  -2.371
  565   2HG1  VAL  80          HG13      VAL  80  -4.503  -4.035  -2.398
  566   3HG1  VAL  80          HG12      VAL  80  -5.119  -5.079  -3.680
  567   1HG2  VAL  80          HG23      VAL  80  -2.184  -2.735  -3.350
  568   2HG2  VAL  80          HG22      VAL  80  -2.461  -3.005  -5.070
  569   3HG2  VAL  80          HG21      VAL  80  -3.822  -2.675  -4.000
  570    H    MET  81           HN       MET  81  -0.413  -3.175  -2.279
  571    HA   MET  81           HA       MET  81   1.241  -2.993  -4.686
  572   1HB   MET  81           HB2      MET  81   0.477  -1.036  -3.188
  573   2HB   MET  81           HB1      MET  81   1.744  -1.555  -2.077
  574   1HG   MET  81           HG2      MET  81   3.456  -1.182  -3.699
  575   2HG   MET  81           HG1      MET  81   2.280  -1.011  -5.002
  576   1HE   MET  81           HE2      MET  81   2.970   0.134  -1.466
  577   2HE   MET  81           HE1      MET  81   2.478   1.824  -1.404
  578   3HE   MET  81           HE3      MET  81   1.261   0.549  -1.556
  579    H    MET  82           HN       MET  82   1.472  -4.426  -1.514
  580    HA   MET  82           HA       MET  82   4.378  -4.878  -1.782
  581   1HB   MET  82           HB2      MET  82   2.326  -5.346   0.356
  582   2HB   MET  82           HB1      MET  82   3.827  -6.272   0.397
  583   1HG   MET  82           HG2      MET  82   4.288  -3.437  -0.147
  584   2HG   MET  82           HG1      MET  82   3.481  -3.701   1.398
  585   1HE   MET  82           HE2      MET  82   5.738  -2.341   1.793
  586   2HE   MET  82           HE1      MET  82   5.321  -3.252   3.243
  587   3HE   MET  82           HE3      MET  82   6.996  -3.203   2.676
  588    H    VAL  83           HN       VAL  83   1.367  -6.531  -2.359
  589    HA   VAL  83           HA       VAL  83   2.699  -9.160  -2.554
  590    HB   VAL  83           HB       VAL  83  -0.169  -8.319  -3.072
  591   1HG1  VAL  83          HG13      VAL  83   1.326 -10.797  -3.605
  592   2HG1  VAL  83          HG12      VAL  83  -0.136 -11.043  -2.649
  593   3HG1  VAL  83          HG11      VAL  83  -0.235 -10.270  -4.232
  594   1HG2  VAL  83          HG22      VAL  83   1.368  -9.146  -0.701
  595   2HG2  VAL  83          HG21      VAL  83  -0.184  -8.315  -0.798
  596   3HG2  VAL  83          HG23      VAL  83  -0.114 -10.071  -0.944
  597    H    ARG  84           HN       ARG  84   3.039  -6.680  -4.399
  598    HA   ARG  84           HA       ARG  84   2.117  -6.908  -6.960
  599   1HB   ARG  84           HB2      ARG  84   4.351  -5.734  -5.764
  600   2HB   ARG  84           HB1      ARG  84   5.024  -6.749  -7.041
  601   1HG   ARG  84           HG2      ARG  84   4.556  -4.910  -8.328
  602   2HG   ARG  84           HG1      ARG  84   2.959  -5.657  -8.394
  603   1HD   ARG  84           HD2      ARG  84   3.031  -4.178  -5.986
  604   2HD   ARG  84           HD1      ARG  84   3.725  -3.131  -7.224
  605    HE   ARG  84           HE       ARG  84   0.974  -3.632  -6.977
  606   1HH1  ARG  84          HH21      ARG  84   3.322  -2.772  -9.224
  607   2HH1  ARG  84          HH22      ARG  84   2.328  -3.028 -10.619
  608   1HH2  ARG  84          HH11      ARG  84  -0.269  -4.475  -8.833
  609   2HH2  ARG  84          HH12      ARG  84   0.297  -3.996 -10.400
  610    H    GLN  85           HN       GLN  85   1.525  -9.142  -7.302
  611    HA   GLN  85           HA       GLN  85   2.396 -11.541  -7.323
  612   1HB   GLN  85           HB2      GLN  85   0.961 -10.426  -9.210
  613   2HB   GLN  85           HB1      GLN  85   2.460 -10.506 -10.138
  614   1HG   GLN  85           HG2      GLN  85   1.901 -12.638 -10.624
  615   2HG   GLN  85           HG1      GLN  85   2.285 -13.017  -8.945
  616   1HE2  GLN  85          HE22      GLN  85  -1.206 -12.919  -7.930
  617   2HE2  GLN  85          HE21      GLN  85   0.329 -12.461  -7.371
  618    H    MET  86           HN       MET  86   4.562 -11.613  -6.490
  619    HA   MET  86           HA       MET  86   6.831 -10.820  -8.114
  620   1HB   MET  86           HB2      MET  86   8.131 -12.159  -6.414
  621   2HB   MET  86           HB1      MET  86   7.105 -10.909  -5.712
  622   1HG   MET  86           HG2      MET  86   5.415 -12.528  -5.121
  623   2HG   MET  86           HG1      MET  86   6.246 -13.798  -6.019
  624   1HE   MET  86           HE1      MET  86   5.159 -13.464  -3.003
  625   2HE   MET  86           HE3      MET  86   6.398 -13.285  -1.752
  626   3HE   MET  86           HE2      MET  86   5.883 -11.889  -2.696
  627    H    LYS  87           HN       LYS  87   4.791 -13.612  -7.959
  628    HA   LYS  87           HA       LYS  87   6.654 -15.538  -9.016
  629   1HB   LYS  87           HB2      LYS  87   3.666 -15.573  -9.477
  630   2HB   LYS  87           HB1      LYS  87   4.762 -16.948  -9.349
  631   1HG   LYS  87           HG2      LYS  87   4.554 -16.998  -7.105
  632   2HG   LYS  87           HG1      LYS  87   4.909 -15.274  -6.979
  633   1HD   LYS  87           HD2      LYS  87   2.560 -14.758  -7.581
  634   2HD   LYS  87           HD1      LYS  87   2.212 -16.485  -7.656
  635   1HE   LYS  87           HE2      LYS  87   1.533 -15.927  -5.481
  636   2HE   LYS  87           HE1      LYS  87   3.169 -16.534  -5.226
  637   1HZ   LYS  87           HZ2      LYS  87   3.139 -13.751  -5.859
  638   2HZ   LYS  87           HZ1      LYS  87   2.217 -14.089  -4.472
  639   3HZ   LYS  87           HZ3      LYS  87   3.848 -14.551  -4.539
  640    H    GLU  88           HN       GLU  88   4.057 -13.651 -10.615
  641    HA   GLU  88           HA       GLU  88   4.687 -14.456 -13.268
  642   1HB   GLU  88           HB2      GLU  88   2.615 -13.232 -12.651
  643   2HB   GLU  88           HB1      GLU  88   3.578 -11.786 -12.346
  644   1HG   GLU  88           HG2      GLU  88   4.421 -11.988 -14.742
  645   2HG   GLU  88           HG1      GLU  88   3.172 -13.210 -14.984
  646    H    ASP  89           HN       ASP  89   6.389 -12.450 -11.077
  647    HA   ASP  89           HA       ASP  89   8.524 -11.488 -11.337
  648   1HB   ASP  89           HB2      ASP  89   8.419 -13.254 -13.446
  649   2HB   ASP  89           HB1      ASP  89   8.649 -11.711 -14.269
  650    H    ALA  90           HN       ALA  90   5.994 -10.060 -11.536
  651    HA   ALA  90           HA       ALA  90   6.455  -8.008 -13.611
  652   1HB   ALA  90           HB2      ALA  90   4.160  -9.029 -12.563
  653   2HB   ALA  90           HB1      ALA  90   4.350  -7.585 -11.569
  654   3HB   ALA  90           HB3      ALA  90   4.260  -7.442 -13.324
   
  No H/Q in entry =         654
  Start of MODEL   25
    1   1H    ALA   1           HT3      ALA   1 -11.661  -3.619 -10.822
    2   2H    ALA   1           HT2      ALA   1 -12.462  -4.501 -12.032
    3   3H    ALA   1           HT1      ALA   1 -13.231  -3.179 -11.290
    4    HA   ALA   1           HA       ALA   1 -14.165  -5.142 -10.363
    5   1HB   ALA   1           HB1      ALA   1 -11.799  -6.315 -10.975
    6   2HB   ALA   1           HB3      ALA   1 -11.579  -6.074  -9.242
    7   3HB   ALA   1           HB2      ALA   1 -12.951  -7.010  -9.834
    8    H    SER   2           HN       SER   2 -13.268  -2.394  -9.579
    9    HA   SER   2           HA       SER   2 -13.081  -1.092  -7.631
   10   1HB   SER   2           HB2      SER   2 -14.917  -3.339  -7.020
   11   2HB   SER   2           HB1      SER   2 -14.282  -2.470  -5.626
   12    HG   SER   2           HG       SER   2 -15.915  -1.589  -7.722
   13    H    MET   3           HN       MET   3 -13.103  -4.014  -5.693
   14    HA   MET   3           HA       MET   3 -10.258  -4.388  -5.552
   15   1HB   MET   3           HB2      MET   3 -10.902  -2.070  -4.332
   16   2HB   MET   3           HB1      MET   3 -11.181  -3.183  -2.993
   17   1HG   MET   3           HG2      MET   3  -8.922  -2.793  -2.696
   18   2HG   MET   3           HG1      MET   3  -8.838  -4.168  -3.797
   19   1HE   MET   3           HE3      MET   3  -9.528  -0.651  -3.472
   20   2HE   MET   3           HE2      MET   3  -8.171   0.180  -4.228
   21   3HE   MET   3           HE1      MET   3  -9.627  -0.149  -5.164
   22    H    THR   4           HN       THR   4 -12.777  -5.913  -5.618
   23    HA   THR   4           HA       THR   4 -12.975  -7.159  -2.960
   24    HB   THR   4           HB       THR   4 -14.337  -7.670  -5.612
   25    HG1  THR   4           HG1      THR   4 -15.934  -7.252  -3.522
   26   1HG2  THR   4          HG23      THR   4 -14.019  -9.437  -3.298
   27   2HG2  THR   4          HG22      THR   4 -15.709  -9.122  -3.692
   28   3HG2  THR   4          HG21      THR   4 -14.631  -9.800  -4.911
   29    H    ASP   5           HN       ASP   5 -13.072  -9.210  -5.787
   30    HA   ASP   5           HA       ASP   5 -11.393 -11.198  -4.735
   31   1HB   ASP   5           HB2      ASP   5 -12.827 -10.925  -7.049
   32   2HB   ASP   5           HB1      ASP   5 -11.174 -10.835  -7.660
   33    H    GLN   6           HN       GLN   6 -10.562  -8.195  -6.315
   34    HA   GLN   6           HA       GLN   6  -7.928  -8.652  -7.142
   35   1HB   GLN   6           HB2      GLN   6  -9.439  -6.466  -7.090
   36   2HB   GLN   6           HB1      GLN   6  -8.517  -6.142  -5.621
   37   1HG   GLN   6           HG2      GLN   6  -6.858  -5.363  -6.932
   38   2HG   GLN   6           HG1      GLN   6  -6.617  -7.019  -7.493
   39   1HE2  GLN   6          HE22      GLN   6  -7.598  -6.137 -10.747
   40   2HE2  GLN   6          HE21      GLN   6  -6.588  -7.058  -9.740
   41    H    GLN   7           HN       GLN   7  -9.060  -7.810  -3.855
   42    HA   GLN   7           HA       GLN   7  -6.334  -8.148  -2.795
   43   1HB   GLN   7           HB2      GLN   7  -7.223  -7.397  -0.710
   44   2HB   GLN   7           HB1      GLN   7  -8.020  -6.423  -1.947
   45   1HG   GLN   7           HG2      GLN   7  -9.830  -8.320  -1.891
   46   2HG   GLN   7           HG1      GLN   7  -9.137  -8.686  -0.311
   47   1HE2  GLN   7          HE22      GLN   7 -11.872  -6.022  -0.096
   48   2HE2  GLN   7          HE21      GLN   7 -11.832  -7.510  -0.911
   49    H    ALA   8           HN       ALA   8  -9.208 -10.043  -3.207
   50    HA   ALA   8           HA       ALA   8  -8.724 -11.962  -1.116
   51   1HB   ALA   8           HB1      ALA   8 -10.890 -11.654  -2.408
   52   2HB   ALA   8           HB3      ALA   8 -10.114 -12.491  -3.754
   53   3HB   ALA   8           HB2      ALA   8 -10.364 -13.326  -2.221
   54    H    GLU   9           HN       GLU   9  -7.251 -11.394  -4.183
   55    HA   GLU   9           HA       GLU   9  -6.181 -14.130  -4.403
   56   1HB   GLU   9           HB2      GLU   9  -6.209 -11.682  -6.081
   57   2HB   GLU   9           HB1      GLU   9  -4.777 -12.701  -6.236
   58   1HG   GLU   9           HG2      GLU   9  -6.179 -14.651  -6.713
   59   2HG   GLU   9           HG1      GLU   9  -7.635 -13.684  -6.482
   60    H    ALA  10           HN       ALA  10  -5.011 -10.868  -3.600
   61    HA   ALA  10           HA       ALA  10  -2.256 -11.584  -3.294
   62   1HB   ALA  10           HB2      ALA  10  -3.945  -9.280  -2.733
   63   2HB   ALA  10           HB1      ALA  10  -2.756  -9.534  -1.453
   64   3HB   ALA  10           HB3      ALA  10  -2.226  -9.333  -3.123
   65    H    ARG  11           HN       ARG  11  -4.803 -11.161  -0.800
   66    HA   ARG  11           HA       ARG  11  -3.322 -11.996   1.429
   67   1HB   ARG  11           HB2      ARG  11  -5.903 -11.290   1.070
   68   2HB   ARG  11           HB1      ARG  11  -6.104 -13.035   1.241
   69   1HG   ARG  11           HG2      ARG  11  -5.509 -13.019   3.440
   70   2HG   ARG  11           HG1      ARG  11  -4.265 -11.791   3.195
   71   1HD   ARG  11           HD2      ARG  11  -5.681 -10.314   4.142
   72   2HD   ARG  11           HD1      ARG  11  -6.669 -10.456   2.686
   73    HE   ARG  11           HE       ARG  11  -7.081 -12.249   5.044
   74   1HH1  ARG  11          HH11      ARG  11  -8.325  -9.431   3.880
   75   2HH1  ARG  11          HH12      ARG  11  -9.931 -10.014   3.598
   76   1HH2  ARG  11          HH21      ARG  11  -9.096 -13.343   4.095
   77   2HH2  ARG  11          HH22      ARG  11 -10.368 -12.229   3.721
   78    H    ALA  12           HN       ALA  12  -4.885 -13.965  -1.068
   79    HA   ALA  12           HA       ALA  12  -4.788 -16.513   0.014
   80   1HB   ALA  12           HB2      ALA  12  -4.793 -15.396  -2.626
   81   2HB   ALA  12           HB1      ALA  12  -3.633 -16.722  -2.586
   82   3HB   ALA  12           HB3      ALA  12  -5.310 -17.004  -2.121
   83    H    PHE  13           HN       PHE  13  -2.040 -14.798  -1.510
   84    HA   PHE  13           HA       PHE  13  -0.171 -16.904  -0.718
   85   1HB   PHE  13           HB2      PHE  13   0.127 -15.507  -2.781
   86   2HB   PHE  13           HB1      PHE  13   0.416 -14.110  -1.744
   87    HD1  PHE  13           HD1      PHE  13   1.501 -17.619  -1.115
   88    HD2  PHE  13           HD2      PHE  13   2.704 -13.643  -2.212
   89    HE1  PHE  13           HE1      PHE  13   3.881 -18.275  -0.887
   90    HE2  PHE  13           HE2      PHE  13   5.083 -14.301  -1.984
   91    HZ   PHE  13           HZ       PHE  13   5.672 -16.617  -1.322
   92    H    LEU  14           HN       LEU  14  -1.367 -13.916   0.610
   93    HA   LEU  14           HA       LEU  14   0.806 -13.750   2.601
   94   1HB   LEU  14           HB2      LEU  14  -1.746 -12.125   2.543
   95   2HB   LEU  14           HB1      LEU  14  -0.213 -11.709   3.309
   96    HG   LEU  14           HG       LEU  14  -0.655 -12.014   0.323
   97   1HD1  LEU  14          HD11      LEU  14  -0.872  -9.752   2.199
   98   2HD1  LEU  14          HD13      LEU  14   0.164  -9.433   0.809
   99   3HD1  LEU  14          HD12      LEU  14  -1.512  -9.923   0.565
  100   1HD2  LEU  14          HD21      LEU  14   1.637 -12.612   1.260
  101   2HD2  LEU  14          HD23      LEU  14   1.629 -11.299   0.082
  102   3HD2  LEU  14          HD22      LEU  14   1.762 -10.939   1.804
  103    H    SER  15           HN       SER  15   0.325 -15.899   3.539
  104    HA   SER  15           HA       SER  15  -2.026 -16.857   4.609
  105   1HB   SER  15           HB2      SER  15   0.509 -17.662   4.843
  106   2HB   SER  15           HB1      SER  15   0.342 -16.919   6.431
  107    HG   SER  15           HG       SER  15  -0.407 -18.926   6.743
  108    H    GLU  16           HN       GLU  16  -2.924 -16.745   6.832
  109    HA   GLU  16           HA       GLU  16  -3.598 -14.133   7.632
  110   1HB   GLU  16           HB2      GLU  16  -3.767 -16.833   8.870
  111   2HB   GLU  16           HB1      GLU  16  -3.920 -15.456   9.962
  112   1HG   GLU  16           HG2      GLU  16  -5.814 -14.614   8.827
  113   2HG   GLU  16           HG1      GLU  16  -5.495 -15.591   7.393
  114    H    GLU  17           HN       GLU  17  -0.733 -15.976   8.312
  115    HA   GLU  17           HA       GLU  17   0.096 -14.572  10.683
  116   1HB   GLU  17           HB2      GLU  17   1.606 -16.126   8.573
  117   2HB   GLU  17           HB1      GLU  17   2.409 -15.398   9.965
  118   1HG   GLU  17           HG2      GLU  17   0.029 -16.880  10.755
  119   2HG   GLU  17           HG1      GLU  17   1.180 -17.906   9.897
  120    H    MET  18           HN       MET  18   0.734 -14.063   7.217
  121    HA   MET  18           HA       MET  18   2.577 -11.926   7.465
  122   1HB   MET  18           HB2      MET  18   2.230 -12.891   5.299
  123   2HB   MET  18           HB1      MET  18   0.500 -12.546   5.352
  124   1HG   MET  18           HG2      MET  18   1.667 -10.909   3.929
  125   2HG   MET  18           HG1      MET  18   0.987 -10.123   5.353
  126   1HE   MET  18           HE3      MET  18   3.726 -11.306   3.351
  127   2HE   MET  18           HE2      MET  18   3.991  -9.567   3.249
  128   3HE   MET  18           HE1      MET  18   5.221 -10.597   3.978
  129    H    ILE  19           HN       ILE  19  -0.965 -11.688   6.941
  130    HA   ILE  19           HA       ILE  19  -1.036  -8.851   7.403
  131    HB   ILE  19           HB       ILE  19  -3.335 -10.771   7.834
  132   1HG1  ILE  19          HG12      ILE  19  -3.468  -9.768   5.225
  133   2HG1  ILE  19          HG11      ILE  19  -1.779 -10.234   5.427
  134   1HG2  ILE  19          HG22      ILE  19  -3.109  -7.998   8.041
  135   2HG2  ILE  19          HG21      ILE  19  -3.808  -8.250   6.440
  136   3HG2  ILE  19          HG23      ILE  19  -4.611  -8.907   7.868
  137   1HD1  ILE  19          HD11      ILE  19  -2.551 -12.456   6.290
  138   2HD1  ILE  19          HD13      ILE  19  -4.206 -11.985   5.910
  139   3HD1  ILE  19          HD12      ILE  19  -3.020 -12.160   4.616
  140    H    ALA  20           HN       ALA  20  -0.780 -11.531   9.535
  141    HA   ALA  20           HA       ALA  20  -2.080 -10.368  11.835
  142   1HB   ALA  20           HB3      ALA  20   0.049 -12.509  11.576
  143   2HB   ALA  20           HB2      ALA  20  -0.717 -12.072  13.103
  144   3HB   ALA  20           HB1      ALA  20  -1.684 -12.750  11.793
  145    H    GLU  21           HN       GLU  21   1.432 -10.924  11.369
  146    HA   GLU  21           HA       GLU  21   2.100  -8.897  13.333
  147   1HB   GLU  21           HB2      GLU  21   3.443 -11.016  12.156
  148   2HB   GLU  21           HB1      GLU  21   4.232  -9.604  11.451
  149   1HG   GLU  21           HG2      GLU  21   5.451  -9.623  13.375
  150   2HG   GLU  21           HG1      GLU  21   4.031  -8.831  14.061
  151    H    PHE  22           HN       PHE  22   1.393  -8.832   9.961
  152    HA   PHE  22           HA       PHE  22   2.876  -6.344   9.459
  153   1HB   PHE  22           HB2      PHE  22   2.374  -8.195   7.735
  154   2HB   PHE  22           HB1      PHE  22   0.740  -7.532   7.686
  155    HD1  PHE  22           HD1      PHE  22   0.316  -5.270   6.838
  156    HD2  PHE  22           HD2      PHE  22   4.275  -6.935   6.876
  157    HE1  PHE  22           HE1      PHE  22   1.085  -3.479   5.305
  158    HE2  PHE  22           HE2      PHE  22   5.045  -5.143   5.345
  159    HZ   PHE  22           HZ       PHE  22   3.449  -3.416   4.559
  160    H    LYS  23           HN       LYS  23  -0.214  -7.246  10.668
  161    HA   LYS  23           HA       LYS  23  -1.826  -5.070   9.834
  162   1HB   LYS  23           HB2      LYS  23  -2.266  -7.238  11.379
  163   2HB   LYS  23           HB1      LYS  23  -2.132  -6.012  12.640
  164   1HG   LYS  23           HG2      LYS  23  -4.177  -5.216  12.151
  165   2HG   LYS  23           HG1      LYS  23  -3.728  -4.998  10.460
  166   1HD   LYS  23           HD2      LYS  23  -5.566  -6.539  10.480
  167   2HD   LYS  23           HD1      LYS  23  -4.118  -7.490  10.152
  168   1HE   LYS  23           HE2      LYS  23  -4.247  -8.602  12.133
  169   2HE   LYS  23           HE1      LYS  23  -4.744  -7.160  13.019
  170   1HZ   LYS  23           HZ1      LYS  23  -6.806  -7.823  11.270
  171   2HZ   LYS  23           HZ3      LYS  23  -6.344  -9.258  12.048
  172   3HZ   LYS  23           HZ2      LYS  23  -6.809  -7.907  12.967
  173    H    ALA  24           HN       ALA  24   0.339  -5.346  12.663
  174    HA   ALA  24           HA       ALA  24  -0.200  -2.564  13.432
  175   1HB   ALA  24           HB2      ALA  24   0.710  -4.827  14.777
  176   2HB   ALA  24           HB1      ALA  24   2.139  -3.800  14.666
  177   3HB   ALA  24           HB3      ALA  24   0.669  -3.185  15.421
  178    H    ALA  25           HN       ALA  25   1.848  -4.116  11.215
  179    HA   ALA  25           HA       ALA  25   4.148  -2.372  11.442
  180   1HB   ALA  25           HB1      ALA  25   3.914  -4.686  10.240
  181   2HB   ALA  25           HB3      ALA  25   3.348  -3.722   8.876
  182   3HB   ALA  25           HB2      ALA  25   4.963  -3.457   9.533
  183    H    PHE  26           HN       PHE  26   1.526  -2.507   8.994
  184    HA   PHE  26           HA       PHE  26   2.251   0.013   7.810
  185   1HB   PHE  26           HB2      PHE  26   0.948  -1.539   6.511
  186   2HB   PHE  26           HB1      PHE  26  -0.313  -1.598   7.744
  187    HD1  PHE  26           HD2      PHE  26  -1.868   0.265   8.058
  188    HD2  PHE  26           HD1      PHE  26   1.184   0.398   5.037
  189    HE1  PHE  26           HE2      PHE  26  -3.004   2.196   6.995
  190    HE2  PHE  26           HE1      PHE  26   0.047   2.327   3.974
  191    HZ   PHE  26           HZ       PHE  26  -2.046   3.227   4.953
  192    H    ASP  27           HN       ASP  27   0.456  -0.815  10.651
  193    HA   ASP  27           HA       ASP  27  -1.150   1.579  10.810
  194   1HB   ASP  27           HB2      ASP  27  -0.312  -0.567  12.729
  195   2HB   ASP  27           HB1      ASP  27  -1.021   0.916  13.367
  196    H    MET  28           HN       MET  28   2.181   0.858  11.516
  197    HA   MET  28           HA       MET  28   2.667   3.035  13.340
  198   1HB   MET  28           HB2      MET  28   4.184   1.037  12.953
  199   2HB   MET  28           HB1      MET  28   4.670   1.796  11.435
  200   1HG   MET  28           HG2      MET  28   6.075   3.185  12.516
  201   2HG   MET  28           HG1      MET  28   4.784   3.720  13.592
  202   1HE   MET  28           HE2      MET  28   6.145   4.171  15.333
  203   2HE   MET  28           HE1      MET  28   4.992   3.217  16.263
  204   3HE   MET  28           HE3      MET  28   6.730   3.034  16.545
  205    H    PHE  29           HN       PHE  29   2.079   2.921   9.966
  206    HA   PHE  29           HA       PHE  29   3.495   5.456   9.428
  207   1HB   PHE  29           HB2      PHE  29   1.712   3.764   7.648
  208   2HB   PHE  29           HB1      PHE  29   2.656   5.158   7.122
  209    HD1  PHE  29           HD2      PHE  29   5.225   4.973   8.223
  210    HD2  PHE  29           HD1      PHE  29   2.669   1.742   7.011
  211    HE1  PHE  29           HE2      PHE  29   7.209   3.517   7.916
  212    HE2  PHE  29           HE1      PHE  29   4.652   0.286   6.704
  213    HZ   PHE  29           HZ       PHE  29   6.923   1.174   7.157
  214    H    ASP  30           HN       ASP  30   1.064   5.143  11.282
  215    HA   ASP  30           HA       ASP  30  -0.862   6.906   9.860
  216   1HB   ASP  30           HB2      ASP  30  -2.413   6.384  11.637
  217   2HB   ASP  30           HB1      ASP  30  -1.672   4.871  11.116
  218    H    ALA  31           HN       ALA  31  -1.797   8.711  11.299
  219    HA   ALA  31           HA       ALA  31   0.331   9.887  13.032
  220   1HB   ALA  31           HB3      ALA  31  -1.089  11.099  10.681
  221   2HB   ALA  31           HB2      ALA  31  -0.607  12.137  12.022
  222   3HB   ALA  31           HB1      ALA  31   0.610  11.217  11.137
  223    H    ASP  32           HN       ASP  32  -3.052  10.454  11.980
  224    HA   ASP  32           HA       ASP  32  -3.788  11.620  14.530
  225   1HB   ASP  32           HB2      ASP  32  -6.122  11.411  13.645
  226   2HB   ASP  32           HB1      ASP  32  -5.030  12.221  12.522
  227    H    GLY  33           HN       GLY  33  -3.451   8.400  13.381
  228   1HA   GLY  33           HA2      GLY  33  -3.462   6.538  14.953
  229   2HA   GLY  33           HA1      GLY  33  -4.651   7.411  15.920
  230    H    GLY  34           HN       GLY  34  -4.215   5.636  12.880
  231   1HA   GLY  34           HA2      GLY  34  -6.837   4.439  13.110
  232   2HA   GLY  34           HA1      GLY  34  -6.820   5.689  11.865
  233    H    GLY  35           HN       GLY  35  -4.594   5.457  10.497
  234   1HA   GLY  35           HA2      GLY  35  -3.048   3.551   9.741
  235   2HA   GLY  35           HA1      GLY  35  -4.526   2.594   9.635
  236    H    ASP  36           HN       ASP  36  -2.756   5.284   8.205
  237    HA   ASP  36           HA       ASP  36  -3.792   4.712   5.578
  238   1HB   ASP  36           HB2      ASP  36  -4.923   7.019   5.350
  239   2HB   ASP  36           HB1      ASP  36  -5.821   5.771   6.215
  240    H    ILE  37           HN       ILE  37  -2.328   5.522   4.114
  241    HA   ILE  37           HA       ILE  37  -0.444   7.619   5.123
  242    HB   ILE  37           HB       ILE  37   1.156   6.563   3.409
  243   1HG1  ILE  37          HG12      ILE  37  -0.793   4.257   3.702
  244   2HG1  ILE  37          HG11      ILE  37  -0.687   5.275   2.265
  245   1HG2  ILE  37          HG22      ILE  37   1.021   6.231   6.003
  246   2HG2  ILE  37          HG21      ILE  37   0.413   4.628   5.588
  247   3HG2  ILE  37          HG23      ILE  37   2.016   5.130   5.050
  248   1HD1  ILE  37          HD11      ILE  37   1.595   3.650   3.428
  249   2HD1  ILE  37          HD13      ILE  37   0.649   3.205   2.008
  250   3HD1  ILE  37          HD12      ILE  37   1.671   4.643   1.972
  251    H    SER  38           HN       SER  38  -0.063   9.376   3.783
  252    HA   SER  38           HA       SER  38  -1.874   9.649   1.462
  253   1HB   SER  38           HB2      SER  38  -0.218  11.949   1.809
  254   2HB   SER  38           HB1      SER  38  -1.941  11.791   2.140
  255    HG   SER  38           HG       SER  38  -1.242  12.123   4.118
  256    H    THR  39           HN       THR  39  -0.725  11.016  -0.413
  257    HA   THR  39           HA       THR  39   1.144   9.273  -1.673
  258    HB   THR  39           HB       THR  39   1.288  10.924  -3.399
  259    HG1  THR  39           HG1      THR  39   0.606  12.676  -1.300
  260   1HG2  THR  39          HG22      THR  39  -1.199  10.207  -2.217
  261   2HG2  THR  39          HG21      THR  39  -1.333  11.881  -2.755
  262   3HG2  THR  39          HG23      THR  39  -0.879  10.620  -3.901
  263    H    LYS  40           HN       LYS  40   1.598  11.631   0.761
  264    HA   LYS  40           HA       LYS  40   4.374  12.256   0.087
  265   1HB   LYS  40           HB2      LYS  40   2.402  13.261   1.882
  266   2HB   LYS  40           HB1      LYS  40   3.789  12.758   2.850
  267   1HG   LYS  40           HG2      LYS  40   3.844  14.631   0.467
  268   2HG   LYS  40           HG1      LYS  40   4.103  15.074   2.155
  269   1HD   LYS  40           HD2      LYS  40   5.833  12.891   1.165
  270   2HD   LYS  40           HD1      LYS  40   6.119  14.463   0.418
  271   1HE   LYS  40           HE2      LYS  40   5.746  14.764   3.271
  272   2HE   LYS  40           HE1      LYS  40   7.027  13.598   2.941
  273   1HZ   LYS  40           HZ1      LYS  40   7.540  15.539   1.153
  274   2HZ   LYS  40           HZ3      LYS  40   6.958  16.441   2.467
  275   3HZ   LYS  40           HZ2      LYS  40   8.287  15.405   2.672
  276    H    GLU  41           HN       GLU  41   2.777  10.347   2.662
  277    HA   GLU  41           HA       GLU  41   5.381   9.139   3.364
  278   1HB   GLU  41           HB2      GLU  41   2.611   9.063   4.546
  279   2HB   GLU  41           HB1      GLU  41   3.815   7.865   5.024
  280   1HG   GLU  41           HG2      GLU  41   4.786  10.655   4.996
  281   2HG   GLU  41           HG1      GLU  41   3.551  10.311   6.208
  282    H    LEU  42           HN       LEU  42   3.486   8.621   0.858
  283    HA   LEU  42           HA       LEU  42   2.879   5.793   1.063
  284   1HB   LEU  42           HB2      LEU  42   1.759   7.429  -0.518
  285   2HB   LEU  42           HB1      LEU  42   3.241   7.405  -1.475
  286    HG   LEU  42           HG       LEU  42   2.497   4.700  -0.883
  287   1HD1  LEU  42          HD13      LEU  42   0.305   6.468  -1.996
  288   2HD1  LEU  42          HD12      LEU  42   0.331   4.717  -2.203
  289   3HD1  LEU  42          HD11      LEU  42   0.217   5.414  -0.586
  290   1HD2  LEU  42          HD22      LEU  42   3.479   6.273  -3.005
  291   2HD2  LEU  42          HD21      LEU  42   3.278   4.521  -2.993
  292   3HD2  LEU  42          HD23      LEU  42   1.987   5.553  -3.608
  293    H    GLY  43           HN       GLY  43   5.488   7.660  -0.510
  294   1HA   GLY  43           HA2      GLY  43   7.067   5.118  -0.583
  295   2HA   GLY  43           HA1      GLY  43   7.135   6.295  -1.896
  296    H    THR  44           HN       THR  44   7.121   8.643  -0.215
  297    HA   THR  44           HA       THR  44   9.923   8.907   0.284
  298    HB   THR  44           HB       THR  44   8.182  10.715   1.826
  299    HG1  THR  44           HG1      THR  44   7.640  11.604  -0.438
  300   1HG2  THR  44          HG21      THR  44  10.673  10.763   0.577
  301   2HG2  THR  44          HG23      THR  44   9.665  11.791  -0.440
  302   3HG2  THR  44          HG22      THR  44   9.835  12.147   1.278
  303    H    VAL  45           HN       VAL  45   7.441   7.452   2.122
  304    HA   VAL  45           HA       VAL  45   8.355   7.954   4.779
  305    HB   VAL  45           HB       VAL  45   6.173   6.869   4.174
  306   1HG1  VAL  45          HG11      VAL  45   7.129   5.358   2.432
  307   2HG1  VAL  45          HG13      VAL  45   7.919   4.432   3.708
  308   3HG1  VAL  45          HG12      VAL  45   6.158   4.489   3.620
  309   1HG2  VAL  45          HG21      VAL  45   8.108   5.777   6.171
  310   2HG2  VAL  45          HG23      VAL  45   6.556   6.574   6.433
  311   3HG2  VAL  45          HG22      VAL  45   6.606   4.885   5.926
  312    H    MET  46           HN       MET  46   9.229   5.421   2.429
  313    HA   MET  46           HA       MET  46  11.266   4.360   4.289
  314   1HB   MET  46           HB2      MET  46  11.596   2.617   2.639
  315   2HB   MET  46           HB1      MET  46   9.860   2.847   2.849
  316   1HG   MET  46           HG2      MET  46  10.003   4.481   0.871
  317   2HG   MET  46           HG1      MET  46  11.605   3.804   0.577
  318   1HE   MET  46           HE3      MET  46   8.100   3.279   1.346
  319   2HE   MET  46           HE2      MET  46   7.750   3.161  -0.377
  320   3HE   MET  46           HE1      MET  46   7.577   1.740   0.648
  321    H    ARG  47           HN       ARG  47  11.116   5.965   1.105
  322    HA   ARG  47           HA       ARG  47  14.037   6.141   0.942
  323   1HB   ARG  47           HB2      ARG  47  11.924   6.332  -0.895
  324   2HB   ARG  47           HB1      ARG  47  12.598   7.957  -0.807
  325   1HG   ARG  47           HG2      ARG  47  13.678   6.471  -2.542
  326   2HG   ARG  47           HG1      ARG  47  14.798   7.168  -1.373
  327   1HD   ARG  47           HD2      ARG  47  15.415   5.121  -0.658
  328   2HD   ARG  47           HD1      ARG  47  13.736   4.663  -0.380
  329    HE   ARG  47           HE       ARG  47  15.106   4.383  -3.026
  330   1HH1  ARG  47          HH11      ARG  47  12.006   4.304  -2.417
  331   2HH1  ARG  47          HH12      ARG  47  11.747   2.594  -2.522
  332   1HH2  ARG  47          HH21      ARG  47  15.124   1.810  -2.394
  333   2HH2  ARG  47          HH22      ARG  47  13.514   1.182  -2.511
  334    H    MET  48           HN       MET  48  11.976   7.632   2.941
  335    HA   MET  48           HA       MET  48  12.136  10.374   2.747
  336   1HB   MET  48           HB2      MET  48  11.156   9.134   4.692
  337   2HB   MET  48           HB1      MET  48  12.792   8.838   5.281
  338   1HG   MET  48           HG2      MET  48  12.685  10.828   6.333
  339   2HG   MET  48           HG1      MET  48  12.702  11.593   4.743
  340   1HE   MET  48           HE1      MET  48  10.134   9.266   6.538
  341   2HE   MET  48           HE3      MET  48  10.693  10.401   7.774
  342   3HE   MET  48           HE2      MET  48   9.017  10.438   7.233
  343    H    LEU  49           HN       LEU  49  14.767   8.151   3.393
  344    HA   LEU  49           HA       LEU  49  16.654  10.368   3.904
  345   1HB   LEU  49           HB2      LEU  49  17.686   7.617   3.482
  346   2HB   LEU  49           HB1      LEU  49  18.079   8.782   4.745
  347    HG   LEU  49           HG       LEU  49  15.507   8.250   5.401
  348   1HD1  LEU  49          HD11      LEU  49  16.067   6.335   3.435
  349   2HD1  LEU  49          HD13      LEU  49  16.232   5.465   4.961
  350   3HD1  LEU  49          HD12      LEU  49  14.725   6.298   4.580
  351   1HD2  LEU  49          HD22      LEU  49  18.158   7.332   6.248
  352   2HD2  LEU  49          HD21      LEU  49  16.795   7.874   7.227
  353   3HD2  LEU  49          HD23      LEU  49  16.876   6.200   6.681
  354    H    GLY  50           HN       GLY  50  15.476  10.553   1.367
  355   1HA   GLY  50           HA2      GLY  50  17.830  10.516  -0.315
  356   2HA   GLY  50           HA1      GLY  50  16.691   9.253  -0.776
  357    H    GLN  51           HN       GLN  51  15.115   9.836  -2.188
  358    HA   GLN  51           HA       GLN  51  13.601  12.189  -2.115
  359   1HB   GLN  51           HB2      GLN  51  16.072  12.983  -2.819
  360   2HB   GLN  51           HB1      GLN  51  15.418  12.599  -4.416
  361   1HG   GLN  51           HG2      GLN  51  13.475  14.007  -4.009
  362   2HG   GLN  51           HG1      GLN  51  14.019  14.329  -2.362
  363   1HE2  GLN  51          HE22      GLN  51  15.138  17.149  -4.607
  364   2HE2  GLN  51          HE21      GLN  51  13.625  16.462  -4.261
  365    H    ASN  52           HN       ASN  52  14.862   9.479  -3.869
  366    HA   ASN  52           HA       ASN  52  13.791   9.253  -6.294
  367   1HB   ASN  52           HB2      ASN  52  14.112   7.421  -4.125
  368   2HB   ASN  52           HB1      ASN  52  12.579   7.073  -4.925
  369   1HD2  ASN  52          HD22      ASN  52  15.604   5.454  -6.666
  370   2HD2  ASN  52          HD21      ASN  52  15.252   5.591  -5.012
  371    HA   PRO  53           HA       PRO  53   9.259   9.061  -4.821
  372   1HB   PRO  53           HB2      PRO  53   8.838   9.682  -2.183
  373   2HB   PRO  53           HB1      PRO  53   9.049   8.037  -2.797
  374   1HG   PRO  53           HG2      PRO  53  10.961   9.755  -1.298
  375   2HG   PRO  53           HG1      PRO  53  10.799   7.989  -1.304
  376   1HD   PRO  53           HD2      PRO  53  12.742   9.393  -2.682
  377   2HD   PRO  53           HD1      PRO  53  12.233   7.746  -3.076
  378    H    THR  54           HN       THR  54   7.849  10.801  -5.016
  379    HA   THR  54           HA       THR  54   8.792  13.483  -4.105
  380    HB   THR  54           HB       THR  54   7.321  13.221  -6.704
  381    HG1  THR  54           HG1      THR  54  10.135  13.043  -6.502
  382   1HG2  THR  54          HG23      THR  54   7.781  15.423  -5.643
  383   2HG2  THR  54          HG22      THR  54   9.508  15.085  -5.755
  384   3HG2  THR  54          HG21      THR  54   8.546  15.256  -7.224
  385    H    LYS  55           HN       LYS  55   6.985  14.971  -3.724
  386    HA   LYS  55           HA       LYS  55   4.777  13.877  -2.411
  387   1HB   LYS  55           HB2      LYS  55   5.458  16.289  -2.350
  388   2HB   LYS  55           HB1      LYS  55   4.759  16.484  -3.957
  389   1HG   LYS  55           HG2      LYS  55   2.637  15.384  -2.817
  390   2HG   LYS  55           HG1      LYS  55   3.383  15.999  -1.341
  391   1HD   LYS  55           HD2      LYS  55   3.357  18.248  -2.152
  392   2HD   LYS  55           HD1      LYS  55   2.945  17.724  -3.787
  393   1HE   LYS  55           HE2      LYS  55   0.766  16.903  -2.986
  394   2HE   LYS  55           HE1      LYS  55   1.175  17.400  -1.344
  395   1HZ   LYS  55           HZ1      LYS  55   1.581  19.540  -3.145
  396   2HZ   LYS  55           HZ3      LYS  55   0.005  18.939  -3.320
  397   3HZ   LYS  55           HZ2      LYS  55   0.548  19.458  -1.796
  398    H    GLU  56           HN       GLU  56   5.004  14.845  -5.835
  399    HA   GLU  56           HA       GLU  56   2.278  13.819  -6.313
  400   1HB   GLU  56           HB2      GLU  56   4.020  14.670  -8.576
  401   2HB   GLU  56           HB1      GLU  56   2.312  14.999  -8.287
  402   1HG   GLU  56           HG2      GLU  56   3.272  16.392  -6.241
  403   2HG   GLU  56           HG1      GLU  56   4.722  16.434  -7.244
  404    H    GLU  57           HN       GLU  57   5.535  12.685  -6.535
  405    HA   GLU  57           HA       GLU  57   5.279  10.860  -8.701
  406   1HB   GLU  57           HB2      GLU  57   7.191  11.391  -6.642
  407   2HB   GLU  57           HB1      GLU  57   6.915   9.654  -6.711
  408   1HG   GLU  57           HG2      GLU  57   8.724  10.515  -8.273
  409   2HG   GLU  57           HG1      GLU  57   7.449   9.575  -9.050
  410    H    LEU  58           HN       LEU  58   4.406  10.537  -5.273
  411    HA   LEU  58           HA       LEU  58   3.673   7.728  -5.563
  412   1HB   LEU  58           HB2      LEU  58   3.086   9.737  -3.369
  413   2HB   LEU  58           HB1      LEU  58   2.721   8.016  -3.273
  414    HG   LEU  58           HG       LEU  58   4.805   8.175  -2.194
  415   1HD1  LEU  58          HD12      LEU  58   4.667   6.665  -4.384
  416   2HD1  LEU  58          HD11      LEU  58   5.919   7.775  -4.941
  417   3HD1  LEU  58          HD13      LEU  58   6.173   6.821  -3.479
  418   1HD2  LEU  58          HD22      LEU  58   5.027  10.609  -3.266
  419   2HD2  LEU  58          HD21      LEU  58   6.431   9.758  -2.627
  420   3HD2  LEU  58          HD23      LEU  58   6.116   9.760  -4.363
  421    H    ASP  59           HN       ASP  59   2.105  10.773  -6.098
  422    HA   ASP  59           HA       ASP  59  -0.608   9.979  -5.721
  423   1HB   ASP  59           HB2      ASP  59   0.647  12.299  -6.489
  424   2HB   ASP  59           HB1      ASP  59  -0.124  11.791  -7.993
  425    H    ALA  60           HN       ALA  60   1.706   9.192  -8.179
  426    HA   ALA  60           HA       ALA  60  -0.166   8.479 -10.260
  427   1HB   ALA  60           HB3      ALA  60   2.598   8.647 -10.057
  428   2HB   ALA  60           HB2      ALA  60   2.311   6.912 -10.209
  429   3HB   ALA  60           HB1      ALA  60   1.710   8.018 -11.444
  430    H    ILE  61           HN       ILE  61   1.718   6.426  -8.003
  431    HA   ILE  61           HA       ILE  61   0.265   4.027  -8.634
  432    HB   ILE  61           HB       ILE  61   1.419   4.422  -5.897
  433   1HG1  ILE  61          HG12      ILE  61   3.616   3.713  -7.402
  434   2HG1  ILE  61          HG11      ILE  61   2.840   4.933  -8.419
  435   1HG2  ILE  61          HG21      ILE  61   0.477   2.249  -6.791
  436   2HG2  ILE  61          HG23      ILE  61   1.820   2.225  -7.934
  437   3HG2  ILE  61          HG22      ILE  61   2.136   2.157  -6.200
  438   1HD1  ILE  61          HD11      ILE  61   2.748   5.791  -5.680
  439   2HD1  ILE  61          HD13      ILE  61   4.408   5.364  -6.095
  440   3HD1  ILE  61          HD12      ILE  61   3.540   6.568  -7.049
  441    H    ILE  62           HN       ILE  62  -0.394   6.762  -6.616
  442    HA   ILE  62           HA       ILE  62  -2.349   5.471  -4.920
  443    HB   ILE  62           HB       ILE  62  -1.617   8.328  -5.534
  444   1HG1  ILE  62          HG12      ILE  62  -0.268   6.955  -3.945
  445   2HG1  ILE  62          HG11      ILE  62  -1.039   8.333  -3.158
  446   1HG2  ILE  62          HG21      ILE  62  -4.107   8.204  -5.307
  447   2HG2  ILE  62          HG23      ILE  62  -3.889   7.453  -3.725
  448   3HG2  ILE  62          HG22      ILE  62  -3.343   9.107  -3.999
  449   1HD1  ILE  62          HD13      ILE  62  -2.992   6.592  -2.745
  450   2HD1  ILE  62          HD12      ILE  62  -1.691   5.417  -2.938
  451   3HD1  ILE  62          HD11      ILE  62  -1.594   6.640  -1.671
  452    H    GLU  63           HN       GLU  63  -2.391   6.862  -8.116
  453    HA   GLU  63           HA       GLU  63  -5.290   7.182  -8.222
  454   1HB   GLU  63           HB2      GLU  63  -3.061   7.316 -10.247
  455   2HB   GLU  63           HB1      GLU  63  -4.747   7.310 -10.766
  456   1HG   GLU  63           HG2      GLU  63  -4.881   9.169  -8.803
  457   2HG   GLU  63           HG1      GLU  63  -3.219   9.414  -9.337
  458    H    GLU  64           HN       GLU  64  -3.010   4.610  -8.821
  459    HA   GLU  64           HA       GLU  64  -4.894   3.008 -10.387
  460   1HB   GLU  64           HB2      GLU  64  -3.192   1.336 -10.421
  461   2HB   GLU  64           HB1      GLU  64  -2.342   2.877 -10.532
  462   1HG   GLU  64           HG2      GLU  64  -1.170   2.326  -8.693
  463   2HG   GLU  64           HG1      GLU  64  -2.673   2.328  -7.768
  464    H    VAL  65           HN       VAL  65  -4.271   3.575  -7.044
  465    HA   VAL  65           HA       VAL  65  -5.957   1.201  -6.344
  466    HB   VAL  65           HB       VAL  65  -4.071   2.672  -4.486
  467   1HG1  VAL  65          HG11      VAL  65  -6.017   0.525  -4.228
  468   2HG1  VAL  65          HG13      VAL  65  -4.408  -0.009  -3.741
  469   3HG1  VAL  65          HG12      VAL  65  -5.143   1.394  -2.967
  470   1HG2  VAL  65          HG22      VAL  65  -3.542   0.684  -6.589
  471   2HG2  VAL  65          HG21      VAL  65  -2.416   1.730  -5.722
  472   3HG2  VAL  65          HG23      VAL  65  -2.940   0.208  -5.001
  473    H    ASP  66           HN       ASP  66  -5.106   4.393  -4.950
  474    HA   ASP  66           HA       ASP  66  -7.731   4.644  -3.713
  475   1HB   ASP  66           HB2      ASP  66  -5.715   5.675  -2.710
  476   2HB   ASP  66           HB1      ASP  66  -5.554   6.716  -4.124
  477    H    GLU  67           HN       GLU  67  -9.020   4.374  -5.708
  478    HA   GLU  67           HA       GLU  67  -8.836   6.404  -7.793
  479   1HB   GLU  67           HB2      GLU  67 -11.094   5.338  -8.473
  480   2HB   GLU  67           HB1      GLU  67  -9.656   4.321  -8.553
  481   1HG   GLU  67           HG2      GLU  67 -10.204   3.192  -6.540
  482   2HG   GLU  67           HG1      GLU  67 -11.387   4.418  -6.081
  483    H    ASP  68           HN       ASP  68 -10.438   6.122  -4.743
  484    HA   ASP  68           HA       ASP  68 -12.720   7.736  -5.109
  485   1HB   ASP  68           HB2      ASP  68 -10.845   7.376  -2.769
  486   2HB   ASP  68           HB1      ASP  68 -12.238   8.454  -2.670
  487    H    GLY  69           HN       GLY  69  -9.328   8.630  -4.898
  488   1HA   GLY  69           HA2      GLY  69  -8.493  10.674  -5.893
  489   2HA   GLY  69           HA1      GLY  69 -10.089  11.394  -5.679
  490    H    SER  70           HN       SER  70  -9.539   9.788  -2.874
  491    HA   SER  70           HA       SER  70  -9.144  12.174  -1.339
  492   1HB   SER  70           HB2      SER  70 -10.182   9.949  -0.579
  493   2HB   SER  70           HB1      SER  70  -8.528   9.377  -0.372
  494    HG   SER  70           HG       SER  70 -10.005  11.082   1.159
  495    H    GLY  71           HN       GLY  71  -6.934  10.013  -2.903
  496   1HA   GLY  71           HA2      GLY  71  -4.601  10.220  -3.160
  497   2HA   GLY  71           HA1      GLY  71  -4.686  11.727  -2.245
  498    H    THR  72           HN       THR  72  -5.756   8.502  -1.212
  499    HA   THR  72           HA       THR  72  -3.444   8.163   0.548
  500    HB   THR  72           HB       THR  72  -4.335   9.285   2.303
  501    HG1  THR  72           HG1      THR  72  -5.537   8.010   3.551
  502   1HG2  THR  72          HG23      THR  72  -6.989   9.143   0.848
  503   2HG2  THR  72          HG22      THR  72  -6.737  10.001   2.369
  504   3HG2  THR  72          HG21      THR  72  -5.890  10.520   0.911
  505    H    ILE  73           HN       ILE  73  -3.617   6.076   1.757
  506    HA   ILE  73           HA       ILE  73  -5.714   4.237   0.742
  507    HB   ILE  73           HB       ILE  73  -3.750   2.564   0.330
  508   1HG1  ILE  73          HG12      ILE  73  -2.333   5.223  -0.034
  509   2HG1  ILE  73          HG11      ILE  73  -2.036   4.110   1.302
  510   1HG2  ILE  73          HG22      ILE  73  -5.297   4.053  -1.318
  511   2HG2  ILE  73          HG21      ILE  73  -3.708   4.682  -1.753
  512   3HG2  ILE  73          HG23      ILE  73  -4.047   2.958  -1.908
  513   1HD1  ILE  73          HD11      ILE  73  -1.575   2.335  -0.500
  514   2HD1  ILE  73          HD13      ILE  73  -1.499   3.679  -1.639
  515   3HD1  ILE  73          HD12      ILE  73  -0.357   3.595  -0.298
  516    H    ASP  74           HN       ASP  74  -5.803   2.228   2.007
  517    HA   ASP  74           HA       ASP  74  -4.781   2.652   4.771
  518   1HB   ASP  74           HB2      ASP  74  -6.687   0.460   3.989
  519   2HB   ASP  74           HB1      ASP  74  -6.550   1.318   5.525
  520    H    PHE  75           HN       PHE  75  -4.741   0.012   5.671
  521    HA   PHE  75           HA       PHE  75  -2.259  -0.914   4.433
  522   1HB   PHE  75           HB2      PHE  75  -1.926  -2.072   6.373
  523   2HB   PHE  75           HB1      PHE  75  -3.199  -1.024   6.986
  524    HD1  PHE  75           HD2      PHE  75  -5.677  -1.903   6.551
  525    HD2  PHE  75           HD1      PHE  75  -2.163  -4.372   6.588
  526    HE1  PHE  75           HE2      PHE  75  -7.082  -3.899   6.996
  527    HE2  PHE  75           HE1      PHE  75  -3.566  -6.368   7.035
  528    HZ   PHE  75           HZ       PHE  75  -6.027  -6.130   7.238
  529    H    GLU  76           HN       GLU  76  -5.618  -1.575   4.086
  530    HA   GLU  76           HA       GLU  76  -5.293  -4.271   3.010
  531   1HB   GLU  76           HB2      GLU  76  -7.494  -2.459   3.631
  532   2HB   GLU  76           HB1      GLU  76  -7.727  -3.263   2.077
  533   1HG   GLU  76           HG2      GLU  76  -7.302  -5.452   3.157
  534   2HG   GLU  76           HG1      GLU  76  -7.115  -4.637   4.711
  535    H    GLU  77           HN       GLU  77  -6.197  -1.122   1.550
  536    HA   GLU  77           HA       GLU  77  -5.870  -2.090  -1.154
  537   1HB   GLU  77           HB2      GLU  77  -6.696   0.347   0.139
  538   2HB   GLU  77           HB1      GLU  77  -5.495   0.727  -1.095
  539   1HG   GLU  77           HG2      GLU  77  -7.296   0.658  -2.498
  540   2HG   GLU  77           HG1      GLU  77  -7.015  -1.083  -2.439
  541    H    PHE  78           HN       PHE  78  -3.683  -1.043   1.281
  542    HA   PHE  78           HA       PHE  78  -1.562  -0.293  -0.621
  543   1HB   PHE  78           HB2      PHE  78  -1.706   0.900   1.519
  544   2HB   PHE  78           HB1      PHE  78  -1.528  -0.621   2.395
  545    HD1  PHE  78           HD2      PHE  78   0.192   1.244  -0.378
  546    HD2  PHE  78           HD1      PHE  78   0.600  -1.148   3.165
  547    HE1  PHE  78           HE2      PHE  78   2.660   1.442  -0.529
  548    HE2  PHE  78           HE1      PHE  78   3.068  -0.951   3.014
  549    HZ   PHE  78           HZ       PHE  78   4.097   0.344   1.167
  550    H    LEU  79           HN       LEU  79  -2.616  -3.087   1.180
  551    HA   LEU  79           HA       LEU  79  -0.096  -4.525   0.989
  552   1HB   LEU  79           HB2      LEU  79  -2.775  -5.001   2.052
  553   2HB   LEU  79           HB1      LEU  79  -2.121  -6.425   1.245
  554    HG   LEU  79           HG       LEU  79  -0.164  -5.033   2.941
  555   1HD1  LEU  79          HD12      LEU  79  -2.797  -5.362   3.970
  556   2HD1  LEU  79          HD11      LEU  79  -1.787  -6.599   4.720
  557   3HD1  LEU  79          HD13      LEU  79  -1.342  -4.897   4.853
  558   1HD2  LEU  79          HD22      LEU  79  -0.088  -7.359   1.791
  559   2HD2  LEU  79          HD21      LEU  79   0.485  -7.250   3.455
  560   3HD2  LEU  79          HD23      LEU  79  -1.122  -7.892   3.116
  561    H    VAL  80           HN       VAL  80  -2.916  -4.112  -1.050
  562    HA   VAL  80           HA       VAL  80  -2.263  -6.357  -2.800
  563    HB   VAL  80           HB       VAL  80  -4.582  -5.603  -2.612
  564   1HG1  VAL  80          HG11      VAL  80  -3.426  -2.989  -3.608
  565   2HG1  VAL  80          HG13      VAL  80  -5.151  -3.351  -3.662
  566   3HG1  VAL  80          HG12      VAL  80  -4.314  -3.274  -2.112
  567   1HG2  VAL  80          HG23      VAL  80  -3.482  -6.403  -4.859
  568   2HG2  VAL  80          HG22      VAL  80  -5.108  -5.723  -4.893
  569   3HG2  VAL  80          HG21      VAL  80  -3.728  -4.732  -5.363
  570    H    MET  81           HN       MET  81  -0.825  -3.395  -2.310
  571    HA   MET  81           HA       MET  81  -0.224  -2.833  -5.137
  572   1HB   MET  81           HB2      MET  81  -0.293  -1.288  -2.823
  573   2HB   MET  81           HB1      MET  81   1.430  -1.454  -3.160
  574   1HG   MET  81           HG2      MET  81   1.181  -0.559  -5.364
  575   2HG   MET  81           HG1      MET  81  -0.577  -0.674  -5.284
  576   1HE   MET  81           HE1      MET  81   2.415   0.585  -3.192
  577   2HE   MET  81           HE3      MET  81   1.699   1.898  -2.246
  578   3HE   MET  81           HE2      MET  81   1.155   0.239  -2.009
  579    H    MET  82           HN       MET  82   1.405  -4.193  -2.296
  580    HA   MET  82           HA       MET  82   3.956  -4.465  -3.694
  581   1HB   MET  82           HB2      MET  82   2.917  -5.546  -1.062
  582   2HB   MET  82           HB1      MET  82   4.544  -5.868  -1.663
  583   1HG   MET  82           HG2      MET  82   4.276  -3.118  -1.966
  584   2HG   MET  82           HG1      MET  82   3.472  -3.445  -0.431
  585   1HE   MET  82           HE1      MET  82   4.487  -2.621   1.100
  586   2HE   MET  82           HE3      MET  82   5.974  -3.162   1.889
  587   3HE   MET  82           HE2      MET  82   6.026  -1.864   0.698
  588    H    VAL  83           HN       VAL  83   1.315  -6.667  -2.739
  589    HA   VAL  83           HA       VAL  83   2.506  -9.059  -3.741
  590    HB   VAL  83           HB       VAL  83  -0.431  -8.319  -3.556
  591   1HG1  VAL  83          HG13      VAL  83   0.816 -10.549  -4.753
  592   2HG1  VAL  83          HG12      VAL  83   0.221 -11.115  -3.192
  593   3HG1  VAL  83          HG11      VAL  83  -0.891 -10.378  -4.345
  594   1HG2  VAL  83          HG22      VAL  83   1.137  -8.271  -1.461
  595   2HG2  VAL  83          HG21      VAL  83  -0.392  -9.143  -1.357
  596   3HG2  VAL  83          HG23      VAL  83   1.112 -10.029  -1.615
  597    H    ARG  84           HN       ARG  84   0.849  -6.422  -5.340
  598    HA   ARG  84           HA       ARG  84  -0.025  -7.517  -7.725
  599   1HB   ARG  84           HB2      ARG  84   1.399  -4.928  -7.139
  600   2HB   ARG  84           HB1      ARG  84   0.917  -5.335  -8.786
  601   1HG   ARG  84           HG2      ARG  84  -1.224  -5.832  -6.864
  602   2HG   ARG  84           HG1      ARG  84  -0.704  -4.147  -6.858
  603   1HD   ARG  84           HD2      ARG  84  -1.821  -3.796  -8.777
  604   2HD   ARG  84           HD1      ARG  84  -0.815  -5.004  -9.575
  605    HE   ARG  84           HE       ARG  84  -3.075  -6.059  -8.001
  606   1HH1  ARG  84          HH11      ARG  84  -1.491  -7.237 -10.414
  607   2HH1  ARG  84          HH12      ARG  84  -2.730  -7.211 -11.624
  608   1HH2  ARG  84          HH21      ARG  84  -4.809  -5.097  -9.829
  609   2HH2  ARG  84          HH22      ARG  84  -4.608  -5.999 -11.293
  610    H    GLN  85           HN       GLN  85   2.981  -5.786  -8.203
  611    HA   GLN  85           HA       GLN  85   3.961  -8.050  -9.828
  612   1HB   GLN  85           HB2      GLN  85   4.062  -5.365 -10.241
  613   2HB   GLN  85           HB1      GLN  85   5.645  -5.631  -9.510
  614   1HG   GLN  85           HG2      GLN  85   6.423  -6.766 -11.316
  615   2HG   GLN  85           HG1      GLN  85   4.908  -7.645 -11.526
  616   1HE2  GLN  85          HE22      GLN  85   4.762  -3.843 -13.058
  617   2HE2  GLN  85          HE21      GLN  85   5.285  -4.086 -11.461
  618    H    MET  86           HN       MET  86   5.076  -9.595  -8.743
  619    HA   MET  86           HA       MET  86   6.572  -8.897  -6.298
  620   1HB   MET  86           HB2      MET  86   5.705 -11.428  -7.640
  621   2HB   MET  86           HB1      MET  86   7.096 -11.493  -6.557
  622   1HG   MET  86           HG2      MET  86   4.785  -9.971  -5.520
  623   2HG   MET  86           HG1      MET  86   4.508 -11.701  -5.716
  624   1HE   MET  86           HE3      MET  86   4.198 -10.182  -3.370
  625   2HE   MET  86           HE2      MET  86   4.410 -11.747  -2.590
  626   3HE   MET  86           HE1      MET  86   5.353 -10.364  -2.041
  627    H    LYS  87           HN       LYS  87   7.170  -9.107  -9.630
  628    HA   LYS  87           HA       LYS  87   9.966  -9.966  -9.389
  629   1HB   LYS  87           HB2      LYS  87   8.091  -9.826 -11.480
  630   2HB   LYS  87           HB1      LYS  87   9.319  -8.624 -11.881
  631   1HG   LYS  87           HG2      LYS  87   9.830 -10.930 -12.754
  632   2HG   LYS  87           HG1      LYS  87  11.083 -10.272 -11.701
  633   1HD   LYS  87           HD2      LYS  87  10.673 -11.787 -10.038
  634   2HD   LYS  87           HD1      LYS  87   8.936 -11.809 -10.348
  635   1HE   LYS  87           HE2      LYS  87   9.146 -13.346 -12.120
  636   2HE   LYS  87           HE1      LYS  87  10.865 -13.009 -12.329
  637   1HZ   LYS  87           HZ2      LYS  87  10.594 -13.865  -9.731
  638   2HZ   LYS  87           HZ1      LYS  87   9.602 -14.908 -10.633
  639   3HZ   LYS  87           HZ3      LYS  87  11.243 -14.747 -11.029
  640    H    GLU  88           HN       GLU  88   8.260  -6.932 -10.224
  641    HA   GLU  88           HA       GLU  88  10.607  -5.312 -10.387
  642   1HB   GLU  88           HB2      GLU  88   8.259  -4.687 -11.148
  643   2HB   GLU  88           HB1      GLU  88   7.880  -4.379  -9.452
  644   1HG   GLU  88           HG2      GLU  88   9.889  -2.822  -9.405
  645   2HG   GLU  88           HG1      GLU  88   9.954  -2.986 -11.160
  646    H    ASP  89           HN       ASP  89   9.109  -6.813  -7.723
  647    HA   ASP  89           HA       ASP  89   9.813  -6.838  -5.474
  648   1HB   ASP  89           HB2      ASP  89  11.998  -5.768  -6.712
  649   2HB   ASP  89           HB1      ASP  89  11.515  -4.427  -5.671
  650    H    ALA  90           HN       ALA  90   7.585  -5.292  -6.592
  651    HA   ALA  90           HA       ALA  90   7.377  -2.693  -5.465
  652   1HB   ALA  90           HB3      ALA  90   5.223  -4.768  -5.972
  653   2HB   ALA  90           HB2      ALA  90   4.909  -3.073  -5.598
  654   3HB   ALA  90           HB1      ALA  90   5.747  -3.508  -7.089
   
  No H/Q in entry =         654
  Start of MODEL   26
    1   1H    ALA   1           HT3      ALA   1  -8.718  -2.006 -12.472
    2   2H    ALA   1           HT2      ALA   1  -8.828  -3.052 -13.807
    3   3H    ALA   1           HT1      ALA   1  -9.626  -1.551 -13.831
    4    HA   ALA   1           HA       ALA   1 -11.432  -2.618 -13.137
    5   1HB   ALA   1           HB1      ALA   1 -10.376  -4.749 -13.845
    6   2HB   ALA   1           HB3      ALA   1  -9.597  -4.874 -12.268
    7   3HB   ALA   1           HB2      ALA   1 -11.354  -4.960 -12.393
    8    H    SER   2           HN       SER   2 -12.609  -2.759 -11.143
    9    HA   SER   2           HA       SER   2 -11.668  -1.214  -8.997
   10   1HB   SER   2           HB2      SER   2 -13.875  -3.174  -9.362
   11   2HB   SER   2           HB1      SER   2 -13.433  -2.788  -7.701
   12    HG   SER   2           HG       SER   2 -14.847  -1.230  -8.238
   13    H    MET   3           HN       MET   3 -11.748  -2.417  -6.621
   14    HA   MET   3           HA       MET   3  -9.419  -4.265  -6.727
   15   1HB   MET   3           HB2      MET   3 -10.225  -2.112  -4.994
   16   2HB   MET   3           HB1      MET   3 -10.071  -3.593  -4.048
   17   1HG   MET   3           HG2      MET   3  -7.886  -2.711  -4.034
   18   2HG   MET   3           HG1      MET   3  -7.832  -3.918  -5.318
   19   1HE   MET   3           HE1      MET   3  -9.026  -0.617  -4.444
   20   2HE   MET   3           HE3      MET   3  -8.068   0.543  -5.374
   21   3HE   MET   3           HE2      MET   3  -9.574  -0.089  -6.033
   22    H    THR   4           HN       THR   4 -12.126  -5.205  -7.346
   23    HA   THR   4           HA       THR   4 -13.097  -6.629  -4.993
   24    HB   THR   4           HB       THR   4 -13.776  -6.844  -7.939
   25    HG1  THR   4           HG1      THR   4 -14.616  -5.014  -7.142
   26   1HG2  THR   4          HG23      THR   4 -14.265  -8.696  -5.807
   27   2HG2  THR   4          HG22      THR   4 -15.795  -7.955  -6.276
   28   3HG2  THR   4          HG21      THR   4 -14.810  -8.783  -7.482
   29    H    ASP   5           HN       ASP   5 -12.866  -8.578  -7.855
   30    HA   ASP   5           HA       ASP   5 -11.685 -10.779  -6.577
   31   1HB   ASP   5           HB2      ASP   5 -11.797  -9.890  -9.450
   32   2HB   ASP   5           HB1      ASP   5 -10.850 -11.311  -9.011
   33    H    GLN   6           HN       GLN   6 -10.201  -7.950  -8.029
   34    HA   GLN   6           HA       GLN   6  -7.513  -8.802  -8.185
   35   1HB   GLN   6           HB2      GLN   6  -8.440  -6.594  -8.982
   36   2HB   GLN   6           HB1      GLN   6  -8.463  -6.062  -7.299
   37   1HG   GLN   6           HG2      GLN   6  -6.302  -5.468  -7.500
   38   2HG   GLN   6           HG1      GLN   6  -5.894  -7.166  -7.751
   39   1HE2  GLN   6          HE22      GLN   6  -5.587  -4.622 -10.838
   40   2HE2  GLN   6          HE21      GLN   6  -5.821  -4.109  -9.238
   41    H    GLN   7           HN       GLN   7  -9.222  -7.273  -5.441
   42    HA   GLN   7           HA       GLN   7  -6.977  -7.545  -3.638
   43   1HB   GLN   7           HB2      GLN   7  -8.549  -5.870  -3.057
   44   2HB   GLN   7           HB1      GLN   7  -9.917  -6.959  -3.271
   45   1HG   GLN   7           HG2      GLN   7  -7.921  -7.812  -1.255
   46   2HG   GLN   7           HG1      GLN   7  -8.843  -6.365  -0.845
   47   1HE2  GLN   7          HE22      GLN   7 -12.005  -8.330  -1.287
   48   2HE2  GLN   7          HE21      GLN   7 -11.334  -6.972  -2.051
   49    H    ALA   8           HN       ALA   8  -9.572  -9.641  -4.654
   50    HA   ALA   8           HA       ALA   8  -9.435 -11.460  -2.407
   51   1HB   ALA   8           HB2      ALA   8 -11.372 -11.309  -4.002
   52   2HB   ALA   8           HB1      ALA   8 -10.351 -12.052  -5.235
   53   3HB   ALA   8           HB3      ALA   8 -10.770 -12.952  -3.778
   54    H    GLU   9           HN       GLU   9  -7.547 -10.990  -5.285
   55    HA   GLU   9           HA       GLU   9  -6.342 -13.668  -5.172
   56   1HB   GLU   9           HB2      GLU   9  -5.799 -11.205  -6.842
   57   2HB   GLU   9           HB1      GLU   9  -4.810 -12.661  -6.948
   58   1HG   GLU   9           HG2      GLU   9  -6.737 -13.992  -7.587
   59   2HG   GLU   9           HG1      GLU   9  -7.817 -12.622  -7.324
   60    H    ALA  10           HN       ALA  10  -5.529 -10.368  -4.200
   61    HA   ALA  10           HA       ALA  10  -2.785 -10.899  -3.524
   62   1HB   ALA  10           HB2      ALA  10  -4.708  -8.827  -2.421
   63   2HB   ALA  10           HB1      ALA  10  -2.963  -8.819  -2.171
   64   3HB   ALA  10           HB3      ALA  10  -3.622  -8.608  -3.793
   65    H    ARG  11           HN       ARG  11  -5.817 -11.495  -1.898
   66    HA   ARG  11           HA       ARG  11  -4.533 -11.989   0.699
   67   1HB   ARG  11           HB2      ARG  11  -7.357 -12.700  -0.126
   68   2HB   ARG  11           HB1      ARG  11  -6.740 -12.455   1.509
   69   1HG   ARG  11           HG2      ARG  11  -6.168 -10.125  -0.084
   70   2HG   ARG  11           HG1      ARG  11  -7.885 -10.511  -0.205
   71   1HD   ARG  11           HD2      ARG  11  -6.583 -10.602   2.491
   72   2HD   ARG  11           HD1      ARG  11  -6.984  -9.030   1.798
   73    HE   ARG  11           HE       ARG  11  -9.293 -10.602   1.513
   74   1HH1  ARG  11          HH11      ARG  11  -7.611 -11.138   4.248
   75   2HH1  ARG  11          HH12      ARG  11  -8.693 -10.339   5.340
   76   1HH2  ARG  11          HH21      ARG  11 -10.547  -8.836   2.823
   77   2HH2  ARG  11          HH22      ARG  11 -10.355  -9.034   4.533
   78    H    ALA  12           HN       ALA  12  -5.507 -13.806  -2.122
   79    HA   ALA  12           HA       ALA  12  -5.771 -16.402  -1.106
   80   1HB   ALA  12           HB2      ALA  12  -4.768 -15.264  -3.680
   81   2HB   ALA  12           HB1      ALA  12  -4.465 -16.973  -3.368
   82   3HB   ALA  12           HB3      ALA  12  -6.119 -16.361  -3.389
   83    H    PHE  13           HN       PHE  13  -2.698 -14.965  -2.290
   84    HA   PHE  13           HA       PHE  13  -1.147 -17.104  -1.050
   85   1HB   PHE  13           HB2      PHE  13  -0.358 -16.011  -3.111
   86   2HB   PHE  13           HB1      PHE  13  -0.261 -14.467  -2.264
   87    HD1  PHE  13           HD1      PHE  13   0.709 -17.944  -1.248
   88    HD2  PHE  13           HD2      PHE  13   1.994 -13.913  -1.989
   89    HE1  PHE  13           HE1      PHE  13   2.985 -18.522  -0.449
   90    HE2  PHE  13           HE2      PHE  13   4.269 -14.491  -1.192
   91    HZ   PHE  13           HZ       PHE  13   4.765 -16.796  -0.421
   92    H    LEU  14           HN       LEU  14  -2.398 -14.055  -0.035
   93    HA   LEU  14           HA       LEU  14  -0.423 -13.713   2.120
   94   1HB   LEU  14           HB2      LEU  14  -2.716 -12.175   1.025
   95   2HB   LEU  14           HB1      LEU  14  -2.399 -11.970   2.747
   96    HG   LEU  14           HG       LEU  14  -1.177 -10.365   1.161
   97   1HD1  LEU  14          HD11      LEU  14   0.279 -12.112   3.158
   98   2HD1  LEU  14          HD13      LEU  14   1.010 -10.679   2.436
   99   3HD1  LEU  14          HD12      LEU  14  -0.438 -10.524   3.431
  100   1HD2  LEU  14          HD21      LEU  14  -0.611 -12.310  -0.428
  101   2HD2  LEU  14          HD23      LEU  14   0.690 -11.173  -0.072
  102   3HD2  LEU  14          HD22      LEU  14   0.643 -12.742   0.734
  103    H    SER  15           HN       SER  15  -0.902 -15.901   3.042
  104    HA   SER  15           HA       SER  15  -3.335 -16.812   4.035
  105   1HB   SER  15           HB2      SER  15  -2.088 -18.090   5.648
  106   2HB   SER  15           HB1      SER  15  -1.089 -17.971   4.203
  107    HG   SER  15           HG       SER  15   0.196 -17.433   5.920
  108    H    GLU  16           HN       GLU  16  -3.969 -16.811   6.466
  109    HA   GLU  16           HA       GLU  16  -4.511 -14.079   7.232
  110   1HB   GLU  16           HB2      GLU  16  -5.308 -16.740   8.077
  111   2HB   GLU  16           HB1      GLU  16  -4.979 -15.708   9.470
  112   1HG   GLU  16           HG2      GLU  16  -6.428 -13.940   8.383
  113   2HG   GLU  16           HG1      GLU  16  -6.891 -15.153   7.187
  114    H    GLU  17           HN       GLU  17  -1.745 -15.937   7.563
  115    HA   GLU  17           HA       GLU  17  -0.962 -14.954  10.213
  116   1HB   GLU  17           HB2      GLU  17  -0.093 -17.102   9.601
  117   2HB   GLU  17           HB1      GLU  17   0.495 -16.495   8.053
  118   1HG   GLU  17           HG2      GLU  17   2.333 -15.483   8.992
  119   2HG   GLU  17           HG1      GLU  17   1.498 -15.131  10.505
  120    H    MET  18           HN       MET  18  -0.662 -13.928   6.900
  121    HA   MET  18           HA       MET  18   1.546 -12.075   7.470
  122   1HB   MET  18           HB2      MET  18   0.456 -13.218   5.146
  123   2HB   MET  18           HB1      MET  18   0.083 -11.498   5.032
  124   1HG   MET  18           HG2      MET  18   2.299 -12.022   4.045
  125   2HG   MET  18           HG1      MET  18   2.440 -10.939   5.429
  126   1HE   MET  18           HE1      MET  18   4.870 -12.359   4.324
  127   2HE   MET  18           HE3      MET  18   5.245 -13.993   4.888
  128   3HE   MET  18           HE2      MET  18   3.952 -13.736   3.720
  129    H    ILE  19           HN       ILE  19  -1.849 -11.640   6.386
  130    HA   ILE  19           HA       ILE  19  -2.002  -8.865   6.771
  131    HB   ILE  19           HB       ILE  19  -4.235 -10.809   7.408
  132   1HG1  ILE  19          HG12      ILE  19  -4.244  -9.731   4.717
  133   2HG1  ILE  19          HG11      ILE  19  -2.752 -10.622   5.021
  134   1HG2  ILE  19          HG22      ILE  19  -4.166  -7.957   6.377
  135   2HG2  ILE  19          HG21      ILE  19  -5.627  -8.936   6.505
  136   3HG2  ILE  19          HG23      ILE  19  -4.735  -8.486   7.960
  137   1HD1  ILE  19          HD13      ILE  19  -5.341 -11.831   5.911
  138   2HD1  ILE  19          HD12      ILE  19  -4.931 -11.886   4.197
  139   3HD1  ILE  19          HD11      ILE  19  -3.857 -12.626   5.384
  140    H    ALA  20           HN       ALA  20  -2.452 -11.469   9.143
  141    HA   ALA  20           HA       ALA  20  -3.261  -9.828  11.329
  142   1HB   ALA  20           HB2      ALA  20  -2.361 -12.563  10.920
  143   2HB   ALA  20           HB1      ALA  20  -1.711 -11.892  12.417
  144   3HB   ALA  20           HB3      ALA  20  -3.454 -11.920  12.146
  145    H    GLU  21           HN       GLU  21  -0.055 -10.713  10.100
  146    HA   GLU  21           HA       GLU  21   1.254  -9.151  12.238
  147   1HB   GLU  21           HB2      GLU  21   2.034 -11.388  10.897
  148   2HB   GLU  21           HB1      GLU  21   2.863 -10.144   9.959
  149   1HG   GLU  21           HG2      GLU  21   3.640  -9.199  12.224
  150   2HG   GLU  21           HG1      GLU  21   3.119 -10.739  12.909
  151    H    PHE  22           HN       PHE  22  -0.228  -8.440   9.353
  152    HA   PHE  22           HA       PHE  22   1.723  -6.459   8.406
  153   1HB   PHE  22           HB2      PHE  22  -0.447  -7.833   7.257
  154   2HB   PHE  22           HB1      PHE  22  -0.943  -6.141   7.312
  155    HD1  PHE  22           HD2      PHE  22   0.330  -4.407   6.129
  156    HD2  PHE  22           HD1      PHE  22   1.474  -8.544   5.937
  157    HE1  PHE  22           HE2      PHE  22   1.818  -3.907   4.209
  158    HE2  PHE  22           HE1      PHE  22   2.962  -8.043   4.017
  159    HZ   PHE  22           HZ       PHE  22   3.134  -5.725   3.153
  160    H    LYS  23           HN       LYS  23  -1.301  -6.523  10.243
  161    HA   LYS  23           HA       LYS  23  -1.892  -3.761  10.250
  162   1HB   LYS  23           HB2      LYS  23  -2.896  -4.228  12.538
  163   2HB   LYS  23           HB1      LYS  23  -3.463  -5.285  11.246
  164   1HG   LYS  23           HG2      LYS  23  -2.104  -7.088  11.973
  165   2HG   LYS  23           HG1      LYS  23  -1.123  -6.040  12.998
  166   1HD   LYS  23           HD2      LYS  23  -3.606  -5.591  14.037
  167   2HD   LYS  23           HD1      LYS  23  -3.754  -7.278  13.538
  168   1HE   LYS  23           HE2      LYS  23  -2.879  -7.476  15.703
  169   2HE   LYS  23           HE1      LYS  23  -1.429  -7.560  14.704
  170   1HZ   LYS  23           HZ3      LYS  23  -2.482  -5.092  15.976
  171   2HZ   LYS  23           HZ2      LYS  23  -1.187  -6.019  16.568
  172   3HZ   LYS  23           HZ1      LYS  23  -1.052  -5.221  15.073
  173    H    ALA  24           HN       ALA  24   0.743  -5.473  11.673
  174    HA   ALA  24           HA       ALA  24   1.372  -3.364  13.621
  175   1HB   ALA  24           HB3      ALA  24   2.744  -5.910  12.746
  176   2HB   ALA  24           HB2      ALA  24   3.542  -4.751  13.809
  177   3HB   ALA  24           HB1      ALA  24   2.044  -5.529  14.319
  178    H    ALA  25           HN       ALA  25   2.545  -4.477  10.460
  179    HA   ALA  25           HA       ALA  25   4.727  -2.587  10.321
  180   1HB   ALA  25           HB2      ALA  25   3.240  -4.171   8.210
  181   2HB   ALA  25           HB1      ALA  25   4.598  -3.112   7.830
  182   3HB   ALA  25           HB3      ALA  25   4.835  -4.506   8.883
  183    H    PHE  26           HN       PHE  26   1.307  -2.401   9.735
  184    HA   PHE  26           HA       PHE  26   1.517   0.086   8.174
  185   1HB   PHE  26           HB2      PHE  26  -0.364  -1.838   8.171
  186   2HB   PHE  26           HB1      PHE  26  -1.072  -0.766   9.381
  187    HD1  PHE  26           HD1      PHE  26  -1.505   1.641   8.813
  188    HD2  PHE  26           HD2      PHE  26  -0.326  -1.242   5.855
  189    HE1  PHE  26           HE1      PHE  26  -2.276   3.166   7.018
  190    HE2  PHE  26           HE2      PHE  26  -1.099   0.283   4.059
  191    HZ   PHE  26           HZ       PHE  26  -2.074   2.489   4.640
  192    H    ASP  27           HN       ASP  27   1.096  -0.919  11.486
  193    HA   ASP  27           HA       ASP  27   0.025   1.573  12.479
  194   1HB   ASP  27           HB2      ASP  27   0.428  -0.915  13.563
  195   2HB   ASP  27           HB1      ASP  27   1.728   0.011  14.315
  196    H    MET  28           HN       MET  28   3.309   0.243  12.168
  197    HA   MET  28           HA       MET  28   4.716   2.333  13.463
  198   1HB   MET  28           HB2      MET  28   5.356   0.245  11.458
  199   2HB   MET  28           HB1      MET  28   6.439   1.638  11.472
  200   1HG   MET  28           HG2      MET  28   6.417   1.288  14.072
  201   2HG   MET  28           HG1      MET  28   5.876  -0.339  13.665
  202   1HE   MET  28           HE1      MET  28   6.864  -1.691  11.859
  203   2HE   MET  28           HE3      MET  28   7.534  -0.563  10.673
  204   3HE   MET  28           HE2      MET  28   8.571  -1.769  11.432
  205    H    PHE  29           HN       PHE  29   4.026   1.979   9.959
  206    HA   PHE  29           HA       PHE  29   5.049   4.429   9.080
  207   1HB   PHE  29           HB2      PHE  29   2.729   2.741   8.185
  208   2HB   PHE  29           HB1      PHE  29   2.997   4.315   7.435
  209    HD1  PHE  29           HD1      PHE  29   5.448   1.801   8.726
  210    HD2  PHE  29           HD2      PHE  29   3.900   3.889   5.307
  211    HE1  PHE  29           HE1      PHE  29   7.242   0.825   7.318
  212    HE2  PHE  29           HE2      PHE  29   5.694   2.915   3.899
  213    HZ   PHE  29           HZ       PHE  29   7.365   1.383   4.904
  214    H    ASP  30           HN       ASP  30   1.575   3.921   9.788
  215    HA   ASP  30           HA       ASP  30   1.403   6.809  10.483
  216   1HB   ASP  30           HB2      ASP  30  -0.232   5.271   8.911
  217   2HB   ASP  30           HB1      ASP  30  -1.073   5.199  10.461
  218    H    ALA  31           HN       ALA  31   1.576   7.257  12.621
  219    HA   ALA  31           HA       ALA  31   0.449   5.272  14.555
  220   1HB   ALA  31           HB3      ALA  31   2.911   7.019  14.853
  221   2HB   ALA  31           HB2      ALA  31   2.221   6.034  16.142
  222   3HB   ALA  31           HB1      ALA  31   2.886   5.262  14.703
  223    H    ASP  32           HN       ASP  32   0.105   8.316  13.270
  224    HA   ASP  32           HA       ASP  32  -1.139   9.333  15.795
  225   1HB   ASP  32           HB2      ASP  32   0.843  10.654  15.037
  226   2HB   ASP  32           HB1      ASP  32   0.010  10.971  13.515
  227    H    GLY  33           HN       GLY  33  -1.611   8.410  12.534
  228   1HA   GLY  33           HA2      GLY  33  -4.075   9.998  12.208
  229   2HA   GLY  33           HA1      GLY  33  -3.399   8.882  11.021
  230    H    GLY  34           HN       GLY  34  -3.171   6.545  12.463
  231   1HA   GLY  34           HA2      GLY  34  -4.756   5.358  14.136
  232   2HA   GLY  34           HA1      GLY  34  -6.032   5.951  13.072
  233    H    GLY  35           HN       GLY  35  -3.911   5.484  10.816
  234   1HA   GLY  35           HA2      GLY  35  -2.974   3.147  10.163
  235   2HA   GLY  35           HA1      GLY  35  -4.627   2.609  10.457
  236    H    ASP  36           HN       ASP  36  -3.038   5.285   8.679
  237    HA   ASP  36           HA       ASP  36  -4.060   4.431   6.127
  238   1HB   ASP  36           HB2      ASP  36  -5.586   6.519   5.895
  239   2HB   ASP  36           HB1      ASP  36  -6.222   5.127   6.773
  240    H    ILE  37           HN       ILE  37  -1.754   4.901   5.833
  241    HA   ILE  37           HA       ILE  37  -0.480   7.363   6.267
  242    HB   ILE  37           HB       ILE  37  -0.120   5.467   3.928
  243   1HG1  ILE  37          HG12      ILE  37   1.827   5.502   6.138
  244   2HG1  ILE  37          HG11      ILE  37   0.219   4.951   6.612
  245   1HG2  ILE  37          HG21      ILE  37   0.859   7.817   3.717
  246   2HG2  ILE  37          HG23      ILE  37   1.887   7.410   5.091
  247   3HG2  ILE  37          HG22      ILE  37   2.014   6.490   3.592
  248   1HD1  ILE  37          HD12      ILE  37   1.239   3.860   4.052
  249   2HD1  ILE  37          HD11      ILE  37   2.089   3.321   5.500
  250   3HD1  ILE  37          HD13      ILE  37   0.352   3.055   5.345
  251    H    SER  38           HN       SER  38  -0.223   9.243   4.976
  252    HA   SER  38           HA       SER  38  -2.361   9.613   2.917
  253   1HB   SER  38           HB2      SER  38  -1.524  12.146   3.560
  254   2HB   SER  38           HB1      SER  38  -2.903  11.338   4.300
  255    HG   SER  38           HG       SER  38  -1.118  12.228   5.696
  256    H    THR  39           HN       THR  39  -1.630  11.431   1.278
  257    HA   THR  39           HA       THR  39   0.691  10.446  -0.087
  258    HB   THR  39           HB       THR  39   0.413  12.580  -1.461
  259    HG1  THR  39           HG1      THR  39  -1.297  13.857  -0.981
  260   1HG2  THR  39          HG21      THR  39  -1.488  10.354  -1.095
  261   2HG2  THR  39          HG23      THR  39  -2.138  11.746  -1.960
  262   3HG2  THR  39          HG22      THR  39  -0.695  10.929  -2.561
  263    H    LYS  40           HN       LYS  40   0.238  12.895   2.353
  264    HA   LYS  40           HA       LYS  40   2.511  14.513   1.964
  265   1HB   LYS  40           HB2      LYS  40   0.598  14.199   3.965
  266   2HB   LYS  40           HB1      LYS  40   2.117  13.811   4.774
  267   1HG   LYS  40           HG2      LYS  40   2.729  16.043   3.210
  268   2HG   LYS  40           HG1      LYS  40   1.125  16.393   3.857
  269   1HD   LYS  40           HD2      LYS  40   3.610  15.666   5.430
  270   2HD   LYS  40           HD1      LYS  40   2.743  17.202   5.456
  271   1HE   LYS  40           HE2      LYS  40   0.723  15.497   6.086
  272   2HE   LYS  40           HE1      LYS  40   2.091  14.643   6.799
  273   1HZ   LYS  40           HZ1      LYS  40   1.412  17.494   7.278
  274   2HZ   LYS  40           HZ3      LYS  40   1.085  16.219   8.347
  275   3HZ   LYS  40           HZ2      LYS  40   2.693  16.637   7.994
  276    H    GLU  41           HN       GLU  41   2.311  11.611   4.058
  277    HA   GLU  41           HA       GLU  41   5.245  11.453   4.134
  278   1HB   GLU  41           HB2      GLU  41   3.127  10.566   5.789
  279   2HB   GLU  41           HB1      GLU  41   3.944   9.116   5.203
  280   1HG   GLU  41           HG2      GLU  41   5.763   9.519   6.476
  281   2HG   GLU  41           HG1      GLU  41   5.844  11.198   5.941
  282    H    LEU  42           HN       LEU  42   2.863  10.458   1.999
  283    HA   LEU  42           HA       LEU  42   3.936   7.848   1.297
  284   1HB   LEU  42           HB2      LEU  42   1.560   8.776   0.846
  285   2HB   LEU  42           HB1      LEU  42   2.295   9.601  -0.529
  286    HG   LEU  42           HG       LEU  42   3.281   7.240  -1.084
  287   1HD1  LEU  42          HD11      LEU  42   1.841   6.645   1.251
  288   2HD1  LEU  42          HD13      LEU  42   0.861   5.998  -0.065
  289   3HD1  LEU  42          HD12      LEU  42   2.538   5.485   0.121
  290   1HD2  LEU  42          HD22      LEU  42   1.064   8.686  -1.935
  291   2HD2  LEU  42          HD21      LEU  42   1.732   7.266  -2.739
  292   3HD2  LEU  42          HD23      LEU  42   0.401   7.087  -1.597
  293    H    GLY  43           HN       GLY  43   4.797  11.110   0.582
  294   1HA   GLY  43           HA2      GLY  43   6.425  10.216  -1.754
  295   2HA   GLY  43           HA1      GLY  43   5.977  11.889  -1.422
  296    H    THR  44           HN       THR  44   6.709  12.322   1.136
  297    HA   THR  44           HA       THR  44   9.519  12.660   1.012
  298    HB   THR  44           HB       THR  44   7.956  13.896   2.552
  299    HG1  THR  44           HG1      THR  44  10.141  12.573   3.782
  300   1HG2  THR  44          HG22      THR  44   6.862  11.674   3.277
  301   2HG2  THR  44          HG21      THR  44   8.229  11.517   4.380
  302   3HG2  THR  44          HG23      THR  44   7.133  12.893   4.522
  303    H    VAL  45           HN       VAL  45   7.600  10.107   2.610
  304    HA   VAL  45           HA       VAL  45   9.822   8.736   3.774
  305    HB   VAL  45           HB       VAL  45   7.096   7.777   2.874
  306   1HG1  VAL  45          HG12      VAL  45   9.464   6.257   3.672
  307   2HG1  VAL  45          HG11      VAL  45   8.082   5.952   4.724
  308   3HG1  VAL  45          HG13      VAL  45   7.943   5.683   2.986
  309   1HG2  VAL  45          HG21      VAL  45   8.167   9.109   5.209
  310   2HG2  VAL  45          HG23      VAL  45   6.489   8.723   4.828
  311   3HG2  VAL  45          HG22      VAL  45   7.498   7.539   5.657
  312    H    MET  46           HN       MET  46   8.133   8.262   0.664
  313    HA   MET  46           HA       MET  46   9.999   6.208  -0.210
  314   1HB   MET  46           HB2      MET  46   7.585   7.504  -1.231
  315   2HB   MET  46           HB1      MET  46   8.792   7.254  -2.494
  316   1HG   MET  46           HG2      MET  46   8.637   4.976  -2.379
  317   2HG   MET  46           HG1      MET  46   8.381   4.981  -0.634
  318   1HE   MET  46           HE1      MET  46   6.247   6.532   0.203
  319   2HE   MET  46           HE3      MET  46   4.727   5.676  -0.086
  320   3HE   MET  46           HE2      MET  46   6.132   4.802   0.518
  321    H    ARG  47           HN       ARG  47  10.250   9.540   0.131
  322    HA   ARG  47           HA       ARG  47  11.960   9.989  -2.218
  323   1HB   ARG  47           HB2      ARG  47  10.478  11.630  -0.448
  324   2HB   ARG  47           HB1      ARG  47  12.175  12.053  -0.215
  325   1HG   ARG  47           HG2      ARG  47  12.174  11.945  -2.890
  326   2HG   ARG  47           HG1      ARG  47  10.470  12.336  -2.648
  327   1HD   ARG  47           HD2      ARG  47  12.131  13.955  -0.912
  328   2HD   ARG  47           HD1      ARG  47  12.639  14.131  -2.591
  329    HE   ARG  47           HE       ARG  47  10.188  14.668  -3.074
  330   1HH1  ARG  47          HH11      ARG  47   8.349  14.819  -1.296
  331   2HH1  ARG  47          HH12      ARG  47   8.651  16.115  -0.187
  332   1HH2  ARG  47          HH21      ARG  47  11.990  16.442  -1.062
  333   2HH2  ARG  47          HH22      ARG  47  10.713  17.033  -0.053
  334    H    MET  48           HN       MET  48  12.309   9.500   1.274
  335    HA   MET  48           HA       MET  48  14.966  10.141   1.726
  336   1HB   MET  48           HB2      MET  48  13.200   7.941   2.722
  337   2HB   MET  48           HB1      MET  48  14.923   7.842   3.088
  338   1HG   MET  48           HG2      MET  48  14.905   9.913   4.252
  339   2HG   MET  48           HG1      MET  48  13.330  10.359   3.593
  340   1HE   MET  48           HE1      MET  48  14.237  10.682   6.263
  341   2HE   MET  48           HE3      MET  48  12.490  10.759   6.525
  342   3HE   MET  48           HE2      MET  48  13.491   9.716   7.533
  343    H    LEU  49           HN       LEU  49  14.065   6.780   0.908
  344    HA   LEU  49           HA       LEU  49  16.723   6.255  -0.155
  345   1HB   LEU  49           HB2      LEU  49  15.822   4.040  -0.704
  346   2HB   LEU  49           HB1      LEU  49  15.336   4.491   0.931
  347    HG   LEU  49           HG       LEU  49  13.357   5.529  -0.809
  348   1HD1  LEU  49          HD13      LEU  49  14.529   3.623  -2.271
  349   2HD1  LEU  49          HD12      LEU  49  13.495   2.585  -1.291
  350   3HD1  LEU  49          HD11      LEU  49  12.781   3.855  -2.287
  351   1HD2  LEU  49          HD22      LEU  49  13.381   4.419   1.601
  352   2HD2  LEU  49          HD21      LEU  49  11.926   4.364   0.606
  353   3HD2  LEU  49          HD23      LEU  49  12.988   2.959   0.692
  354    H    GLY  50           HN       GLY  50  13.938   7.739  -1.383
  355   1HA   GLY  50           HA2      GLY  50  14.714   7.090  -4.192
  356   2HA   GLY  50           HA1      GLY  50  13.113   7.650  -3.705
  357    H    GLN  51           HN       GLN  51  13.321   9.401  -5.251
  358    HA   GLN  51           HA       GLN  51  14.577  11.786  -4.088
  359   1HB   GLN  51           HB2      GLN  51  15.769  12.183  -6.364
  360   2HB   GLN  51           HB1      GLN  51  16.515  11.049  -5.232
  361   1HG   GLN  51           HG2      GLN  51  15.347   9.175  -6.376
  362   2HG   GLN  51           HG1      GLN  51  14.693  10.323  -7.545
  363   1HE2  GLN  51          HE22      GLN  51  18.127  11.033  -8.792
  364   2HE2  GLN  51          HE21      GLN  51  16.847  11.947  -8.150
  365    H    ASN  52           HN       ASN  52  12.955  10.306  -6.869
  366    HA   ASN  52           HA       ASN  52  11.760  12.878  -7.633
  367   1HB   ASN  52           HB2      ASN  52  12.252  10.313  -8.920
  368   2HB   ASN  52           HB1      ASN  52  10.639  10.942  -9.257
  369   1HD2  ASN  52          HD22      ASN  52  12.231  12.817 -11.822
  370   2HD2  ASN  52          HD21      ASN  52  11.194  11.519 -11.478
  371    HA   PRO  53           HA       PRO  53   7.928  10.366  -6.257
  372   1HB   PRO  53           HB2      PRO  53   8.271   9.024  -3.891
  373   2HB   PRO  53           HB1      PRO  53   8.468   8.280  -5.485
  374   1HG   PRO  53           HG2      PRO  53  10.551   9.096  -3.522
  375   2HG   PRO  53           HG1      PRO  53  10.606   7.829  -4.760
  376   1HD   PRO  53           HD2      PRO  53  11.782  10.381  -4.949
  377   2HD   PRO  53           HD1      PRO  53  11.537   9.248  -6.295
  378    H    THR  54           HN       THR  54   7.305  12.519  -5.831
  379    HA   THR  54           HA       THR  54   7.837  13.657  -3.134
  380    HB   THR  54           HB       THR  54   7.461  15.718  -4.067
  381    HG1  THR  54           HG1      THR  54   5.703  16.150  -5.211
  382   1HG2  THR  54          HG23      THR  54   8.954  14.316  -5.630
  383   2HG2  THR  54          HG22      THR  54   7.559  14.322  -6.711
  384   3HG2  THR  54          HG21      THR  54   8.312  15.844  -6.232
  385    H    LYS  55           HN       LYS  55   5.437  15.226  -3.154
  386    HA   LYS  55           HA       LYS  55   3.693  13.156  -2.101
  387   1HB   LYS  55           HB2      LYS  55   2.652  14.845  -0.904
  388   2HB   LYS  55           HB1      LYS  55   4.276  15.499  -1.087
  389   1HG   LYS  55           HG2      LYS  55   3.504  16.761  -3.094
  390   2HG   LYS  55           HG1      LYS  55   1.866  16.176  -2.798
  391   1HD   LYS  55           HD2      LYS  55   3.255  17.449  -0.495
  392   2HD   LYS  55           HD1      LYS  55   2.766  18.519  -1.810
  393   1HE   LYS  55           HE2      LYS  55   0.470  17.349  -1.661
  394   2HE   LYS  55           HE1      LYS  55   1.028  16.735  -0.104
  395   1HZ   LYS  55           HZ1      LYS  55   1.182  19.610  -0.763
  396   2HZ   LYS  55           HZ3      LYS  55  -0.241  18.932  -0.139
  397   3HZ   LYS  55           HZ2      LYS  55   1.197  18.867   0.764
  398    H    GLU  56           HN       GLU  56   3.599  15.659  -4.606
  399    HA   GLU  56           HA       GLU  56   0.937  14.885  -5.445
  400   1HB   GLU  56           HB2      GLU  56   1.373  16.395  -7.379
  401   2HB   GLU  56           HB1      GLU  56   1.737  17.173  -5.839
  402   1HG   GLU  56           HG2      GLU  56   4.121  15.900  -6.527
  403   2HG   GLU  56           HG1      GLU  56   3.523  16.545  -8.057
  404    H    GLU  57           HN       GLU  57   4.223  14.016  -6.290
  405    HA   GLU  57           HA       GLU  57   3.545  12.635  -8.751
  406   1HB   GLU  57           HB2      GLU  57   5.914  13.328  -7.366
  407   2HB   GLU  57           HB1      GLU  57   5.905  11.567  -7.472
  408   1HG   GLU  57           HG2      GLU  57   5.037  12.801  -9.966
  409   2HG   GLU  57           HG1      GLU  57   6.656  13.329  -9.501
  410    H    LEU  58           HN       LEU  58   3.360  11.893  -5.384
  411    HA   LEU  58           HA       LEU  58   3.274   8.982  -5.789
  412   1HB   LEU  58           HB2      LEU  58   3.112  10.847  -3.453
  413   2HB   LEU  58           HB1      LEU  58   2.417   9.236  -3.279
  414    HG   LEU  58           HG       LEU  58   4.895   9.524  -2.621
  415   1HD1  LEU  58          HD12      LEU  58   3.459   7.393  -3.569
  416   2HD1  LEU  58          HD11      LEU  58   4.823   7.417  -4.687
  417   3HD1  LEU  58          HD13      LEU  58   5.107   7.283  -2.951
  418   1HD2  LEU  58          HD21      LEU  58   5.191  10.782  -4.958
  419   2HD2  LEU  58          HD23      LEU  58   6.500   9.830  -4.261
  420   3HD2  LEU  58          HD22      LEU  58   5.486   9.141  -5.529
  421    H    ASP  59           HN       ASP  59   1.132  11.572  -6.146
  422    HA   ASP  59           HA       ASP  59  -1.309  10.394  -5.205
  423   1HB   ASP  59           HB2      ASP  59  -0.837  12.843  -5.926
  424   2HB   ASP  59           HB1      ASP  59  -1.154  12.266  -7.564
  425    H    ALA  60           HN       ALA  60   0.504  10.113  -8.216
  426    HA   ALA  60           HA       ALA  60  -1.526   8.880  -9.797
  427   1HB   ALA  60           HB3      ALA  60   1.476   8.880  -9.842
  428   2HB   ALA  60           HB2      ALA  60   0.600   7.764 -10.887
  429   3HB   ALA  60           HB1      ALA  60   0.345   9.502 -11.043
  430    H    ILE  61           HN       ILE  61   1.140   7.312  -7.978
  431    HA   ILE  61           HA       ILE  61   0.112   4.661  -8.317
  432    HB   ILE  61           HB       ILE  61   1.631   5.423  -5.843
  433   1HG1  ILE  61          HG12      ILE  61   3.616   5.014  -7.688
  434   2HG1  ILE  61          HG11      ILE  61   2.445   5.940  -8.633
  435   1HG2  ILE  61          HG23      ILE  61   1.691   3.137  -7.825
  436   2HG2  ILE  61          HG22      ILE  61   2.842   3.310  -6.501
  437   3HG2  ILE  61          HG21      ILE  61   1.127   3.088  -6.155
  438   1HD1  ILE  61          HD12      ILE  61   2.409   7.295  -6.257
  439   2HD1  ILE  61          HD11      ILE  61   4.095   6.783  -6.339
  440   3HD1  ILE  61          HD13      ILE  61   3.403   7.747  -7.643
  441    H    ILE  62           HN       ILE  62  -0.719   7.257  -6.143
  442    HA   ILE  62           HA       ILE  62  -1.946   5.764  -4.072
  443    HB   ILE  62           HB       ILE  62  -2.266   8.534  -5.161
  444   1HG1  ILE  62          HG12      ILE  62  -0.559   7.730  -3.426
  445   2HG1  ILE  62          HG11      ILE  62  -1.511   9.146  -2.984
  446   1HG2  ILE  62          HG22      ILE  62  -4.169   7.271  -3.160
  447   2HG2  ILE  62          HG21      ILE  62  -4.069   8.997  -3.512
  448   3HG2  ILE  62          HG23      ILE  62  -4.597   7.871  -4.762
  449   1HD1  ILE  62          HD11      ILE  62  -3.074   7.683  -1.730
  450   2HD1  ILE  62          HD13      ILE  62  -2.073   6.290  -2.137
  451   3HD1  ILE  62          HD12      ILE  62  -1.428   7.568  -1.107
  452    H    GLU  63           HN       GLU  63  -3.689   7.401  -6.749
  453    HA   GLU  63           HA       GLU  63  -6.165   6.196  -6.484
  454   1HB   GLU  63           HB2      GLU  63  -5.205   7.840  -8.317
  455   2HB   GLU  63           HB1      GLU  63  -4.986   6.352  -9.238
  456   1HG   GLU  63           HG2      GLU  63  -7.252   5.956  -9.410
  457   2HG   GLU  63           HG1      GLU  63  -7.616   6.767  -7.886
  458    H    GLU  64           HN       GLU  64  -3.192   4.701  -7.550
  459    HA   GLU  64           HA       GLU  64  -4.135   2.442  -8.923
  460   1HB   GLU  64           HB2      GLU  64  -1.713   3.070  -8.479
  461   2HB   GLU  64           HB1      GLU  64  -1.908   2.356  -6.878
  462   1HG   GLU  64           HG2      GLU  64  -1.144   0.502  -8.018
  463   2HG   GLU  64           HG1      GLU  64  -2.875   0.320  -8.300
  464    H    VAL  65           HN       VAL  65  -3.564   2.669  -5.382
  465    HA   VAL  65           HA       VAL  65  -5.452   0.368  -5.091
  466    HB   VAL  65           HB       VAL  65  -4.305  -0.122  -2.974
  467   1HG1  VAL  65          HG12      VAL  65  -3.314  -0.497  -5.532
  468   2HG1  VAL  65          HG11      VAL  65  -1.933   0.186  -4.674
  469   3HG1  VAL  65          HG13      VAL  65  -2.703  -1.284  -4.076
  470   1HG2  VAL  65          HG22      VAL  65  -3.696   2.211  -2.402
  471   2HG2  VAL  65          HG21      VAL  65  -2.285   1.154  -2.352
  472   3HG2  VAL  65          HG23      VAL  65  -2.535   2.229  -3.729
  473    H    ASP  66           HN       ASP  66  -4.498   3.491  -3.654
  474    HA   ASP  66           HA       ASP  66  -6.169   3.804  -1.523
  475   1HB   ASP  66           HB2      ASP  66  -4.852   5.675  -2.241
  476   2HB   ASP  66           HB1      ASP  66  -5.695   5.755  -3.788
  477    H    GLU  67           HN       GLU  67  -7.560   5.452  -4.296
  478    HA   GLU  67           HA       GLU  67  -9.791   3.677  -4.675
  479   1HB   GLU  67           HB2      GLU  67  -9.942   5.161  -2.308
  480   2HB   GLU  67           HB1      GLU  67 -10.971   6.034  -3.442
  481   1HG   GLU  67           HG2      GLU  67 -11.355   3.165  -3.678
  482   2HG   GLU  67           HG1      GLU  67 -11.653   3.715  -2.029
  483    H    ASP  68           HN       ASP  68  -9.902   7.228  -4.375
  484    HA   ASP  68           HA       ASP  68 -10.134   7.342  -7.356
  485   1HB   ASP  68           HB2      ASP  68 -11.801   9.044  -7.159
  486   2HB   ASP  68           HB1      ASP  68 -12.275   7.778  -6.026
  487    H    GLY  69           HN       GLY  69  -8.053   7.986  -4.981
  488   1HA   GLY  69           HA2      GLY  69  -6.029   9.279  -5.504
  489   2HA   GLY  69           HA1      GLY  69  -7.051  10.441  -6.351
  490    H    SER  70           HN       SER  70  -8.471   9.351  -3.469
  491    HA   SER  70           HA       SER  70  -8.711  11.824  -2.232
  492   1HB   SER  70           HB2      SER  70  -8.886   9.035  -1.360
  493   2HB   SER  70           HB1      SER  70  -8.380  10.120  -0.067
  494    HG   SER  70           HG       SER  70 -10.804   9.768  -1.032
  495    H    GLY  71           HN       GLY  71  -5.946   9.634  -2.143
  496   1HA   GLY  71           HA2      GLY  71  -3.690  10.512  -1.877
  497   2HA   GLY  71           HA1      GLY  71  -4.360  11.846  -0.937
  498    H    THR  72           HN       THR  72  -5.363   8.523  -0.433
  499    HA   THR  72           HA       THR  72  -3.573   8.199   1.882
  500    HB   THR  72           HB       THR  72  -5.126   9.262   3.209
  501    HG1  THR  72           HG1      THR  72  -5.109   6.983   3.725
  502   1HG2  THR  72          HG23      THR  72  -7.106   8.446   1.089
  503   2HG2  THR  72          HG22      THR  72  -7.649   9.058   2.651
  504   3HG2  THR  72          HG21      THR  72  -6.652  10.069   1.607
  505    H    ILE  73           HN       ILE  73  -3.414   6.011   2.523
  506    HA   ILE  73           HA       ILE  73  -5.144   4.074   1.052
  507    HB   ILE  73           HB       ILE  73  -2.122   4.138   1.175
  508   1HG1  ILE  73          HG12      ILE  73  -3.941   3.604  -1.177
  509   2HG1  ILE  73          HG11      ILE  73  -3.515   5.246  -0.692
  510   1HG2  ILE  73          HG21      ILE  73  -3.920   1.818   0.402
  511   2HG2  ILE  73          HG23      ILE  73  -2.171   1.868   0.186
  512   3HG2  ILE  73          HG22      ILE  73  -2.859   1.876   1.809
  513   1HD1  ILE  73          HD13      ILE  73  -1.388   3.153  -1.131
  514   2HD1  ILE  73          HD12      ILE  73  -2.028   4.098  -2.476
  515   3HD1  ILE  73          HD11      ILE  73  -1.220   4.910  -1.134
  516    H    ASP  74           HN       ASP  74  -5.684   2.259   2.250
  517    HA   ASP  74           HA       ASP  74  -4.796   2.274   5.092
  518   1HB   ASP  74           HB2      ASP  74  -7.078   0.779   3.758
  519   2HB   ASP  74           HB1      ASP  74  -6.740   0.810   5.488
  520    H    PHE  75           HN       PHE  75  -5.185  -0.383   5.763
  521    HA   PHE  75           HA       PHE  75  -2.842  -1.606   4.493
  522   1HB   PHE  75           HB2      PHE  75  -2.765  -3.010   6.326
  523   2HB   PHE  75           HB1      PHE  75  -3.694  -1.692   7.034
  524    HD1  PHE  75           HD2      PHE  75  -6.360  -1.973   6.026
  525    HD2  PHE  75           HD1      PHE  75  -3.571  -5.058   7.097
  526    HE1  PHE  75           HE2      PHE  75  -8.244  -3.534   6.435
  527    HE2  PHE  75           HE1      PHE  75  -5.455  -6.620   7.505
  528    HZ   PHE  75           HZ       PHE  75  -7.791  -5.857   7.175
  529    H    GLU  76           HN       GLU  76  -6.234  -1.659   4.055
  530    HA   GLU  76           HA       GLU  76  -6.466  -4.343   2.991
  531   1HB   GLU  76           HB2      GLU  76  -8.218  -2.201   3.594
  532   2HB   GLU  76           HB1      GLU  76  -8.421  -2.545   1.875
  533   1HG   GLU  76           HG2      GLU  76  -9.154  -4.715   2.254
  534   2HG   GLU  76           HG1      GLU  76  -8.309  -4.841   3.797
  535    H    GLU  77           HN       GLU  77  -6.131  -1.118   1.487
  536    HA   GLU  77           HA       GLU  77  -5.993  -2.268  -1.196
  537   1HB   GLU  77           HB2      GLU  77  -5.048   0.506  -0.520
  538   2HB   GLU  77           HB1      GLU  77  -5.876  -0.062  -1.969
  539   1HG   GLU  77           HG2      GLU  77  -7.060   0.346   0.787
  540   2HG   GLU  77           HG1      GLU  77  -7.487   1.189  -0.702
  541    H    PHE  78           HN       PHE  78  -3.693  -1.177   1.251
  542    HA   PHE  78           HA       PHE  78  -1.384  -1.213  -0.468
  543   1HB   PHE  78           HB2      PHE  78  -1.515  -0.070   1.773
  544   2HB   PHE  78           HB1      PHE  78  -1.464  -1.659   2.529
  545    HD1  PHE  78           HD2      PHE  78   0.399  -1.640  -0.518
  546    HD2  PHE  78           HD1      PHE  78   0.633  -0.528   3.627
  547    HE1  PHE  78           HE2      PHE  78   2.870  -1.629  -0.660
  548    HE2  PHE  78           HE1      PHE  78   3.108  -0.518   3.480
  549    HZ   PHE  78           HZ       PHE  78   4.226  -1.069   1.338
  550    H    LEU  79           HN       LEU  79  -3.320  -3.719   0.755
  551    HA   LEU  79           HA       LEU  79  -1.178  -5.709   0.970
  552   1HB   LEU  79           HB2      LEU  79  -4.162  -5.723   1.220
  553   2HB   LEU  79           HB1      LEU  79  -3.338  -7.251   0.911
  554    HG   LEU  79           HG       LEU  79  -2.764  -5.345   3.199
  555   1HD1  LEU  79          HD12      LEU  79  -3.954  -8.134   3.124
  556   2HD1  LEU  79          HD11      LEU  79  -3.592  -7.220   4.587
  557   3HD1  LEU  79          HD13      LEU  79  -4.836  -6.649   3.475
  558   1HD2  LEU  79          HD23      LEU  79  -1.327  -7.698   2.069
  559   2HD2  LEU  79          HD22      LEU  79  -0.686  -6.292   2.918
  560   3HD2  LEU  79          HD21      LEU  79  -1.439  -7.603   3.827
  561    H    VAL  80           HN       VAL  80  -3.285  -4.480  -1.513
  562    HA   VAL  80           HA       VAL  80  -2.835  -6.795  -3.275
  563    HB   VAL  80           HB       VAL  80  -4.994  -5.597  -3.331
  564   1HG1  VAL  80          HG12      VAL  80  -3.160  -3.299  -3.716
  565   2HG1  VAL  80          HG11      VAL  80  -4.614  -3.287  -4.715
  566   3HG1  VAL  80          HG13      VAL  80  -4.751  -3.356  -2.957
  567   1HG2  VAL  80          HG21      VAL  80  -3.847  -6.676  -5.402
  568   2HG2  VAL  80          HG23      VAL  80  -5.218  -5.604  -5.681
  569   3HG2  VAL  80          HG22      VAL  80  -3.576  -5.014  -5.931
  570    H    MET  81           HN       MET  81  -1.381  -3.709  -2.633
  571    HA   MET  81           HA       MET  81   0.018  -3.632  -5.224
  572   1HB   MET  81           HB2      MET  81  -0.688  -1.532  -4.079
  573   2HB   MET  81           HB1      MET  81   0.412  -1.914  -2.754
  574   1HG   MET  81           HG2      MET  81   2.329  -1.790  -4.215
  575   2HG   MET  81           HG1      MET  81   1.298  -1.652  -5.638
  576   1HE   MET  81           HE3      MET  81   2.479  -0.282  -2.386
  577   2HE   MET  81           HE2      MET  81   2.029   1.419  -2.333
  578   3HE   MET  81           HE1      MET  81   0.802   0.182  -2.070
  579    H    MET  82           HN       MET  82   0.611  -4.653  -1.920
  580    HA   MET  82           HA       MET  82   3.496  -4.911  -2.284
  581   1HB   MET  82           HB2      MET  82   1.904  -4.763  -0.081
  582   2HB   MET  82           HB1      MET  82   2.167  -6.504  -0.168
  583   1HG   MET  82           HG2      MET  82   4.402  -4.462  -0.293
  584   2HG   MET  82           HG1      MET  82   3.899  -5.274   1.190
  585   1HE   MET  82           HE1      MET  82   3.720  -7.391   1.627
  586   2HE   MET  82           HE3      MET  82   4.409  -8.811   0.830
  587   3HE   MET  82           HE2      MET  82   5.429  -7.770   1.817
  588    H    VAL  83           HN       VAL  83   0.676  -7.024  -2.571
  589    HA   VAL  83           HA       VAL  83   2.194  -9.473  -2.820
  590    HB   VAL  83           HB       VAL  83  -0.605  -8.746  -3.735
  591   1HG1  VAL  83          HG12      VAL  83   0.770 -11.447  -3.577
  592   2HG1  VAL  83          HG11      VAL  83  -0.938 -11.193  -3.938
  593   3HG1  VAL  83          HG13      VAL  83   0.295 -10.616  -5.059
  594   1HG2  VAL  83          HG21      VAL  83   0.505  -9.244  -1.180
  595   2HG2  VAL  83          HG23      VAL  83  -1.206  -9.143  -1.598
  596   3HG2  VAL  83          HG22      VAL  83  -0.384 -10.704  -1.619
  597    H    ARG  84           HN       ARG  84   1.350  -6.890  -4.999
  598    HA   ARG  84           HA       ARG  84   1.964  -8.451  -7.411
  599   1HB   ARG  84           HB2      ARG  84   0.955  -5.741  -6.786
  600   2HB   ARG  84           HB1      ARG  84   1.969  -5.843  -8.226
  601   1HG   ARG  84           HG2      ARG  84   0.554  -7.550  -9.186
  602   2HG   ARG  84           HG1      ARG  84  -0.378  -7.684  -7.694
  603   1HD   ARG  84           HD2      ARG  84  -0.981  -5.230  -7.988
  604   2HD   ARG  84           HD1      ARG  84  -0.279  -5.336  -9.603
  605    HE   ARG  84           HE       ARG  84  -2.337  -7.352  -8.977
  606   1HH1  ARG  84          HH11      ARG  84  -2.480  -4.061  -9.388
  607   2HH1  ARG  84          HH12      ARG  84  -3.419  -4.088 -10.844
  608   1HH2  ARG  84          HH21      ARG  84  -3.125  -7.515 -11.285
  609   2HH2  ARG  84          HH22      ARG  84  -3.784  -6.042 -11.918
  610    H    GLN  85           HN       GLN  85   3.375  -5.461  -6.027
  611    HA   GLN  85           HA       GLN  85   5.927  -6.083  -7.379
  612   1HB   GLN  85           HB2      GLN  85   4.918  -3.748  -7.294
  613   2HB   GLN  85           HB1      GLN  85   5.306  -3.734  -5.573
  614   1HG   GLN  85           HG2      GLN  85   7.491  -3.337  -5.975
  615   2HG   GLN  85           HG1      GLN  85   7.569  -4.610  -7.193
  616   1HE2  GLN  85          HE22      GLN  85   7.750  -0.928  -8.533
  617   2HE2  GLN  85          HE21      GLN  85   8.279  -1.479  -7.016
  618    H    MET  86           HN       MET  86   6.554  -7.941  -6.116
  619    HA   MET  86           HA       MET  86   6.895  -7.597  -3.211
  620   1HB   MET  86           HB2      MET  86   7.491  -9.877  -5.113
  621   2HB   MET  86           HB1      MET  86   7.871  -9.935  -3.391
  622   1HG   MET  86           HG2      MET  86   5.128  -9.046  -3.955
  623   2HG   MET  86           HG1      MET  86   5.461 -10.690  -4.499
  624   1HE   MET  86           HE1      MET  86   4.677 -12.230  -3.443
  625   2HE   MET  86           HE3      MET  86   6.093 -12.808  -2.556
  626   3HE   MET  86           HE2      MET  86   4.558 -12.583  -1.722
  627    H    LYS  87           HN       LYS  87   8.764  -6.878  -2.300
  628    HA   LYS  87           HA       LYS  87  11.006  -6.091  -3.957
  629   1HB   LYS  87           HB2      LYS  87  10.783  -6.312  -0.938
  630   2HB   LYS  87           HB1      LYS  87  12.078  -5.489  -1.809
  631   1HG   LYS  87           HG2      LYS  87  10.446  -3.937  -2.799
  632   2HG   LYS  87           HG1      LYS  87   9.135  -4.769  -1.961
  633   1HD   LYS  87           HD2      LYS  87  11.479  -3.425  -0.583
  634   2HD   LYS  87           HD1      LYS  87   9.875  -2.711  -0.762
  635   1HE   LYS  87           HE2      LYS  87  10.454  -5.340   0.635
  636   2HE   LYS  87           HE1      LYS  87  10.166  -3.804   1.452
  637   1HZ   LYS  87           HZ2      LYS  87   8.014  -3.756   0.119
  638   2HZ   LYS  87           HZ1      LYS  87   8.286  -5.410  -0.162
  639   3HZ   LYS  87           HZ3      LYS  87   8.100  -4.840   1.424
  640    H    GLU  88           HN       GLU  88  10.062  -9.046  -2.585
  641    HA   GLU  88           HA       GLU  88  12.701 -10.123  -2.034
  642   1HB   GLU  88           HB2      GLU  88  10.232 -11.733  -2.710
  643   2HB   GLU  88           HB1      GLU  88  11.594 -12.206  -1.696
  644   1HG   GLU  88           HG2      GLU  88  10.934 -10.211  -0.197
  645   2HG   GLU  88           HG1      GLU  88   9.408 -10.217  -1.084
  646    H    ASP  89           HN       ASP  89  11.078  -9.357  -4.896
  647    HA   ASP  89           HA       ASP  89  11.564  -9.829  -7.143
  648   1HB   ASP  89           HB2      ASP  89  14.106 -10.778  -5.799
  649   2HB   ASP  89           HB1      ASP  89  13.893 -10.794  -7.551
  650    H    ALA  90           HN       ALA  90  10.015 -11.728  -5.627
  651    HA   ALA  90           HA       ALA  90  10.945 -14.337  -6.736
  652   1HB   ALA  90           HB3      ALA  90   9.131 -13.558  -4.471
  653   2HB   ALA  90           HB2      ALA  90   8.933 -15.135  -5.235
  654   3HB   ALA  90           HB1      ALA  90  10.468 -14.707  -4.480
   
  No H/Q in entry =         654
  Start of MODEL   27
    1   1H    ALA   1           HT1      ALA   1 -11.785  -1.261 -12.743
    2   2H    ALA   1           HT3      ALA   1 -10.555  -2.366 -12.369
    3   3H    ALA   1           HT2      ALA   1 -11.610  -2.679 -13.663
    4    HA   ALA   1           HA       ALA   1 -13.458  -2.955 -12.184
    5   1HB   ALA   1           HB2      ALA   1 -10.927  -4.475 -11.577
    6   2HB   ALA   1           HB1      ALA   1 -12.432  -4.858 -10.741
    7   3HB   ALA   1           HB3      ALA   1 -12.337  -5.004 -12.496
    8    H    SER   2           HN       SER   2 -13.952  -3.401  -9.759
    9    HA   SER   2           HA       SER   2 -13.130  -1.014  -8.267
   10   1HB   SER   2           HB2      SER   2 -14.665  -3.039  -6.800
   11   2HB   SER   2           HB1      SER   2 -15.040  -1.343  -7.095
   12    HG   SER   2           HG       SER   2 -15.467  -2.132  -9.342
   13    H    MET   3           HN       MET   3 -13.312  -2.351  -5.644
   14    HA   MET   3           HA       MET   3 -10.541  -3.437  -5.594
   15   1HB   MET   3           HB2      MET   3 -12.335  -2.258  -3.461
   16   2HB   MET   3           HB1      MET   3 -10.817  -3.068  -3.081
   17   1HG   MET   3           HG2      MET   3  -9.885  -1.435  -4.968
   18   2HG   MET   3           HG1      MET   3 -11.280  -0.469  -4.482
   19   1HE   MET   3           HE3      MET   3 -12.030  -0.513  -2.236
   20   2HE   MET   3           HE2      MET   3 -11.113  -0.959  -0.799
   21   3HE   MET   3           HE1      MET   3 -11.106   0.712  -1.357
   22    H    THR   4           HN       THR   4 -12.937  -5.009  -6.421
   23    HA   THR   4           HA       THR   4 -13.332  -6.881  -4.173
   24    HB   THR   4           HB       THR   4 -14.433  -6.770  -6.991
   25    HG1  THR   4           HG1      THR   4 -15.441  -5.353  -5.652
   26   1HG2  THR   4          HG23      THR   4 -14.134  -9.036  -5.265
   27   2HG2  THR   4          HG22      THR   4 -15.846  -8.624  -5.363
   28   3HG2  THR   4          HG21      THR   4 -14.933  -8.952  -6.835
   29    H    ASP   5           HN       ASP   5 -13.030  -8.002  -7.485
   30    HA   ASP   5           HA       ASP   5 -11.520 -10.270  -6.968
   31   1HB   ASP   5           HB2      ASP   5 -12.088  -8.634  -9.311
   32   2HB   ASP   5           HB1      ASP   5 -10.479  -9.352  -9.398
   33    H    GLN   6           HN       GLN   6 -10.446  -6.957  -7.021
   34    HA   GLN   6           HA       GLN   6  -7.672  -7.258  -7.393
   35   1HB   GLN   6           HB2      GLN   6  -9.264  -5.158  -6.864
   36   2HB   GLN   6           HB1      GLN   6  -8.580  -5.394  -5.256
   37   1HG   GLN   6           HG2      GLN   6  -6.305  -5.296  -6.199
   38   2HG   GLN   6           HG1      GLN   6  -6.978  -5.083  -7.815
   39   1HE2  GLN   6          HE21      GLN   6  -7.929  -3.002  -8.344
   40   2HE2  GLN   6          HE22      GLN   6  -7.732  -1.647  -7.341
   41    H    GLN   7           HN       GLN   7  -9.433  -7.273  -4.269
   42    HA   GLN   7           HA       GLN   7  -7.082  -8.141  -2.803
   43   1HB   GLN   7           HB2      GLN   7  -8.867  -8.602  -0.986
   44   2HB   GLN   7           HB1      GLN   7  -8.654  -6.932  -1.514
   45   1HG   GLN   7           HG2      GLN   7 -10.644  -6.907  -2.709
   46   2HG   GLN   7           HG1      GLN   7 -10.634  -8.653  -2.960
   47   1HE2  GLN   7          HE22      GLN   7 -13.018  -8.886  -0.365
   48   2HE2  GLN   7          HE21      GLN   7 -12.660  -9.175  -1.999
   49    H    ALA   8           HN       ALA   8  -9.306  -9.774  -4.787
   50    HA   ALA   8           HA       ALA   8  -9.453 -12.289  -3.394
   51   1HB   ALA   8           HB3      ALA   8 -10.623 -11.257  -5.652
   52   2HB   ALA   8           HB2      ALA   8  -9.477 -12.407  -6.340
   53   3HB   ALA   8           HB1      ALA   8 -10.689 -12.955  -5.182
   54    H    GLU   9           HN       GLU   9  -7.132 -10.910  -5.683
   55    HA   GLU   9           HA       GLU   9  -5.599 -13.437  -5.740
   56   1HB   GLU   9           HB2      GLU   9  -5.707 -10.972  -7.328
   57   2HB   GLU   9           HB1      GLU   9  -4.060 -11.515  -7.008
   58   1HG   GLU   9           HG2      GLU   9  -4.395 -13.580  -8.075
   59   2HG   GLU   9           HG1      GLU   9  -6.150 -13.475  -7.930
   60    H    ALA  10           HN       ALA  10  -4.778 -10.021  -5.024
   61    HA   ALA  10           HA       ALA  10  -2.313 -10.453  -3.786
   62   1HB   ALA  10           HB1      ALA  10  -3.667  -8.242  -4.252
   63   2HB   ALA  10           HB3      ALA  10  -4.210  -8.459  -2.588
   64   3HB   ALA  10           HB2      ALA  10  -2.490  -8.289  -2.939
   65    H    ARG  11           HN       ARG  11  -5.532 -10.509  -2.228
   66    HA   ARG  11           HA       ARG  11  -4.455 -11.198   0.371
   67   1HB   ARG  11           HB2      ARG  11  -6.763 -10.153  -0.234
   68   2HB   ARG  11           HB1      ARG  11  -7.269 -11.821  -0.503
   69   1HG   ARG  11           HG2      ARG  11  -6.730 -12.433   1.762
   70   2HG   ARG  11           HG1      ARG  11  -5.937 -10.885   2.050
   71   1HD   ARG  11           HD2      ARG  11  -8.852 -11.062   1.279
   72   2HD   ARG  11           HD1      ARG  11  -8.326 -11.134   2.961
   73    HE   ARG  11           HE       ARG  11  -7.133  -8.855   1.712
   74   1HH1  ARG  11          HH21      ARG  11  -9.496  -9.842   3.861
   75   2HH1  ARG  11          HH22      ARG  11 -10.473  -8.418   3.725
   76   1HH2  ARG  11          HH11      ARG  11  -8.675  -7.115   1.063
   77   2HH2  ARG  11          HH12      ARG  11 -10.008  -6.875   2.142
   78    H    ALA  12           HN       ALA  12  -5.490 -13.042  -2.434
   79    HA   ALA  12           HA       ALA  12  -5.918 -15.569  -1.257
   80   1HB   ALA  12           HB1      ALA  12  -4.771 -14.761  -3.932
   81   2HB   ALA  12           HB3      ALA  12  -4.997 -16.454  -3.493
   82   3HB   ALA  12           HB2      ALA  12  -6.388 -15.372  -3.577
   83    H    PHE  13           HN       PHE  13  -2.837 -14.421  -2.698
   84    HA   PHE  13           HA       PHE  13  -1.305 -16.591  -1.604
   85   1HB   PHE  13           HB2      PHE  13  -0.507 -15.301  -3.532
   86   2HB   PHE  13           HB1      PHE  13  -0.411 -13.847  -2.537
   87    HD1  PHE  13           HD1      PHE  13   0.657 -17.434  -2.184
   88    HD2  PHE  13           HD2      PHE  13   1.751 -13.291  -1.896
   89    HE1  PHE  13           HE1      PHE  13   2.931 -18.087  -1.444
   90    HE2  PHE  13           HE2      PHE  13   4.025 -13.943  -1.155
   91    HZ   PHE  13           HZ       PHE  13   4.615 -16.341  -0.928
   92    H    LEU  14           HN       LEU  14  -2.368 -13.541  -0.306
   93    HA   LEU  14           HA       LEU  14  -0.429 -13.601   1.904
   94   1HB   LEU  14           HB2      LEU  14  -2.651 -11.779   1.039
   95   2HB   LEU  14           HB1      LEU  14  -2.076 -11.695   2.704
   96    HG   LEU  14           HG       LEU  14  -0.922 -10.140   1.022
   97   1HD1  LEU  14          HD13      LEU  14   0.055 -11.631   3.224
   98   2HD1  LEU  14          HD12      LEU  14   1.337 -11.633   2.012
   99   3HD1  LEU  14          HD11      LEU  14   0.682 -10.104   2.600
  100   1HD2  LEU  14          HD21      LEU  14   0.313 -12.787   0.196
  101   2HD2  LEU  14          HD23      LEU  14  -0.739 -11.790  -0.807
  102   3HD2  LEU  14          HD22      LEU  14   0.852 -11.194  -0.337
  103    H    SER  15           HN       SER  15  -1.084 -15.761   2.690
  104    HA   SER  15           HA       SER  15  -3.580 -16.631   3.500
  105   1HB   SER  15           HB2      SER  15  -1.885 -17.239   5.682
  106   2HB   SER  15           HB1      SER  15  -2.263 -18.268   4.303
  107    HG   SER  15           HG       SER  15  -0.208 -18.030   3.900
  108    H    GLU  16           HN       GLU  16  -4.494 -16.659   5.797
  109    HA   GLU  16           HA       GLU  16  -5.161 -14.037   6.628
  110   1HB   GLU  16           HB2      GLU  16  -6.057 -16.535   7.265
  111   2HB   GLU  16           HB1      GLU  16  -5.197 -16.104   8.743
  112   1HG   GLU  16           HG2      GLU  16  -6.467 -14.004   8.889
  113   2HG   GLU  16           HG1      GLU  16  -7.312 -14.402   7.392
  114    H    GLU  17           HN       GLU  17  -2.871 -16.335   8.143
  115    HA   GLU  17           HA       GLU  17  -1.941 -14.502  10.131
  116   1HB   GLU  17           HB2      GLU  17  -0.587 -16.895   8.850
  117   2HB   GLU  17           HB1      GLU  17   0.039 -16.042  10.262
  118   1HG   GLU  17           HG2      GLU  17  -1.849 -16.641  11.588
  119   2HG   GLU  17           HG1      GLU  17  -2.762 -17.174  10.176
  120    H    MET  18           HN       MET  18  -0.971 -15.087   6.785
  121    HA   MET  18           HA       MET  18   1.477 -13.663   6.766
  122   1HB   MET  18           HB2      MET  18  -0.001 -14.962   4.875
  123   2HB   MET  18           HB1      MET  18  -0.254 -13.282   4.399
  124   1HG   MET  18           HG2      MET  18   2.405 -14.688   4.768
  125   2HG   MET  18           HG1      MET  18   1.724 -14.083   3.258
  126   1HE   MET  18           HE3      MET  18   4.336 -13.452   3.546
  127   2HE   MET  18           HE2      MET  18   3.573 -12.281   2.474
  128   3HE   MET  18           HE1      MET  18   4.681 -11.726   3.726
  129    H    ILE  19           HN       ILE  19  -1.863 -12.498   6.487
  130    HA   ILE  19           HA       ILE  19  -1.026  -9.731   6.055
  131    HB   ILE  19           HB       ILE  19  -3.755 -10.704   6.930
  132   1HG1  ILE  19          HG12      ILE  19  -3.159 -10.254   4.050
  133   2HG1  ILE  19          HG11      ILE  19  -2.505 -11.730   4.761
  134   1HG2  ILE  19          HG21      ILE  19  -2.760  -8.160   6.549
  135   2HG2  ILE  19          HG23      ILE  19  -3.480  -8.521   4.980
  136   3HG2  ILE  19          HG22      ILE  19  -4.463  -8.605   6.442
  137   1HD1  ILE  19          HD12      ILE  19  -4.866 -12.101   5.726
  138   2HD1  ILE  19          HD11      ILE  19  -5.391 -10.858   4.590
  139   3HD1  ILE  19          HD13      ILE  19  -4.663 -12.349   3.991
  140    H    ALA  20           HN       ALA  20  -2.809 -11.333   8.712
  141    HA   ALA  20           HA       ALA  20  -2.796  -9.317  10.600
  142   1HB   ALA  20           HB3      ALA  20  -3.455 -11.928  10.685
  143   2HB   ALA  20           HB2      ALA  20  -1.951 -11.986  11.604
  144   3HB   ALA  20           HB1      ALA  20  -3.273 -10.950  12.141
  145    H    GLU  21           HN       GLU  21  -0.046 -11.183   9.483
  146    HA   GLU  21           HA       GLU  21   1.743 -10.466  11.627
  147   1HB   GLU  21           HB2      GLU  21   1.952 -11.734   8.964
  148   2HB   GLU  21           HB1      GLU  21   3.399 -10.873   9.490
  149   1HG   GLU  21           HG2      GLU  21   3.245 -12.116  11.680
  150   2HG   GLU  21           HG1      GLU  21   1.950 -13.083  10.974
  151    H    PHE  22           HN       PHE  22   1.318  -9.144   8.326
  152    HA   PHE  22           HA       PHE  22   3.207  -7.017   8.654
  153   1HB   PHE  22           HB2      PHE  22   0.915  -7.543   6.787
  154   2HB   PHE  22           HB1      PHE  22   1.682  -5.955   6.790
  155    HD1  PHE  22           HD2      PHE  22   4.425  -6.210   7.027
  156    HD2  PHE  22           HD1      PHE  22   1.733  -8.998   5.173
  157    HE1  PHE  22           HE2      PHE  22   6.292  -7.107   5.663
  158    HE2  PHE  22           HE1      PHE  22   3.600  -9.895   3.811
  159    HZ   PHE  22           HZ       PHE  22   5.880  -8.950   4.056
  160    H    LYS  23           HN       LYS  23   0.015  -7.460   9.874
  161    HA   LYS  23           HA       LYS  23  -0.967  -4.835  10.070
  162   1HB   LYS  23           HB2      LYS  23  -1.603  -7.345  11.184
  163   2HB   LYS  23           HB1      LYS  23  -1.399  -6.254  12.555
  164   1HG   LYS  23           HG2      LYS  23  -2.904  -4.613  11.361
  165   2HG   LYS  23           HG1      LYS  23  -3.233  -5.877  10.174
  166   1HD   LYS  23           HD2      LYS  23  -3.822  -7.341  12.250
  167   2HD   LYS  23           HD1      LYS  23  -3.964  -5.798  13.092
  168   1HE   LYS  23           HE2      LYS  23  -5.392  -6.369  10.487
  169   2HE   LYS  23           HE1      LYS  23  -6.120  -6.689  12.062
  170   1HZ   LYS  23           HZ1      LYS  23  -5.057  -4.052  11.203
  171   2HZ   LYS  23           HZ3      LYS  23  -6.695  -4.489  11.153
  172   3HZ   LYS  23           HZ2      LYS  23  -5.889  -4.391  12.645
  173    H    ALA  24           HN       ALA  24   1.805  -6.220  11.602
  174    HA   ALA  24           HA       ALA  24   1.882  -4.193  13.737
  175   1HB   ALA  24           HB3      ALA  24   2.714  -6.528  14.094
  176   2HB   ALA  24           HB2      ALA  24   3.995  -6.209  12.925
  177   3HB   ALA  24           HB1      ALA  24   3.933  -5.300  14.435
  178    H    ALA  25           HN       ALA  25   3.706  -4.964  10.766
  179    HA   ALA  25           HA       ALA  25   5.424  -2.625  11.054
  180   1HB   ALA  25           HB2      ALA  25   5.061  -4.811   9.066
  181   2HB   ALA  25           HB1      ALA  25   5.749  -3.301   8.468
  182   3HB   ALA  25           HB3      ALA  25   6.542  -4.172   9.780
  183    H    PHE  26           HN       PHE  26   2.225  -3.062  10.061
  184    HA   PHE  26           HA       PHE  26   2.257  -0.847   8.105
  185   1HB   PHE  26           HB2      PHE  26   0.775  -2.706   7.612
  186   2HB   PHE  26           HB1      PHE  26   0.017  -2.575   9.199
  187    HD1  PHE  26           HD1      PHE  26   0.562  -0.756   5.987
  188    HD2  PHE  26           HD2      PHE  26  -1.768  -1.060   9.582
  189    HE1  PHE  26           HE1      PHE  26  -1.053   0.894   5.080
  190    HE2  PHE  26           HE2      PHE  26  -3.382   0.590   8.676
  191    HZ   PHE  26           HZ       PHE  26  -3.026   1.567   6.424
  192    H    ASP  27           HN       ASP  27   0.445  -1.539  11.128
  193    HA   ASP  27           HA       ASP  27  -0.329   1.210  11.503
  194   1HB   ASP  27           HB2      ASP  27  -0.699  -1.310  12.870
  195   2HB   ASP  27           HB1      ASP  27  -0.254  -0.058  14.031
  196    H    MET  28           HN       MET  28   2.632  -0.404  11.899
  197    HA   MET  28           HA       MET  28   3.814   0.760  14.154
  198   1HB   MET  28           HB2      MET  28   4.716  -0.741  12.026
  199   2HB   MET  28           HB1      MET  28   5.552   0.792  11.780
  200   1HG   MET  28           HG2      MET  28   5.477  -0.401  14.531
  201   2HG   MET  28           HG1      MET  28   6.612  -1.048  13.345
  202   1HE   MET  28           HE3      MET  28   6.167   0.658  16.043
  203   2HE   MET  28           HE2      MET  28   7.512   1.782  16.223
  204   3HE   MET  28           HE1      MET  28   5.950   2.371  15.659
  205    H    PHE  29           HN       PHE  29   3.720   2.121  10.842
  206    HA   PHE  29           HA       PHE  29   4.764   4.685  11.805
  207   1HB   PHE  29           HB2      PHE  29   4.432   3.386   9.266
  208   2HB   PHE  29           HB1      PHE  29   3.633   4.957   9.207
  209    HD1  PHE  29           HD2      PHE  29   6.770   3.499  10.675
  210    HD2  PHE  29           HD1      PHE  29   4.956   6.738   8.516
  211    HE1  PHE  29           HE2      PHE  29   8.977   4.616  10.499
  212    HE2  PHE  29           HE1      PHE  29   7.163   7.857   8.342
  213    HZ   PHE  29           HZ       PHE  29   9.173   6.796   9.334
  214    H    ASP  30           HN       ASP  30   1.786   3.940   9.958
  215    HA   ASP  30           HA       ASP  30   0.451   6.316  10.892
  216   1HB   ASP  30           HB2      ASP  30  -0.196   3.994   9.203
  217   2HB   ASP  30           HB1      ASP  30  -1.576   4.622  10.107
  218    H    ALA  31           HN       ALA  31  -0.090   6.565  13.008
  219    HA   ALA  31           HA       ALA  31  -1.262   4.202  14.421
  220   1HB   ALA  31           HB3      ALA  31   0.629   6.341  15.396
  221   2HB   ALA  31           HB2      ALA  31  -0.391   5.448  16.523
  222   3HB   ALA  31           HB1      ALA  31   0.786   4.590  15.531
  223    H    ASP  32           HN       ASP  32  -1.137   7.783  14.514
  224    HA   ASP  32           HA       ASP  32  -3.869   7.801  15.667
  225   1HB   ASP  32           HB2      ASP  32  -1.885  10.035  15.135
  226   2HB   ASP  32           HB1      ASP  32  -3.470  10.261  15.874
  227    H    GLY  33           HN       GLY  33  -2.166   8.466  12.686
  228   1HA   GLY  33           HA2      GLY  33  -3.990  10.123  11.339
  229   2HA   GLY  33           HA1      GLY  33  -3.019   8.888  10.536
  230    H    GLY  34           HN       GLY  34  -4.230   6.704  12.121
  231   1HA   GLY  34           HA2      GLY  34  -6.530   5.800  12.386
  232   2HA   GLY  34           HA1      GLY  34  -6.985   6.731  10.958
  233    H    GLY  35           HN       GLY  35  -4.096   4.706  11.455
  234   1HA   GLY  35           HA2      GLY  35  -3.252   2.971  10.112
  235   2HA   GLY  35           HA1      GLY  35  -4.913   2.378  10.126
  236    H    ASP  36           HN       ASP  36  -2.836   4.772   8.478
  237    HA   ASP  36           HA       ASP  36  -3.577   3.918   5.863
  238   1HB   ASP  36           HB2      ASP  36  -4.882   6.165   5.381
  239   2HB   ASP  36           HB1      ASP  36  -5.740   4.765   6.023
  240    H    ILE  37           HN       ILE  37  -1.774   4.507   4.768
  241    HA   ILE  37           HA       ILE  37  -0.192   6.818   5.696
  242    HB   ILE  37           HB       ILE  37   0.490   5.189   3.266
  243   1HG1  ILE  37          HG12      ILE  37   1.734   3.839   5.302
  244   2HG1  ILE  37          HG11      ILE  37   0.171   4.204   6.031
  245   1HG2  ILE  37          HG23      ILE  37   2.113   6.380   5.538
  246   2HG2  ILE  37          HG22      ILE  37   2.777   5.558   4.125
  247   3HG2  ILE  37          HG21      ILE  37   1.919   7.088   3.934
  248   1HD1  ILE  37          HD12      ILE  37   0.000   3.280   3.242
  249   2HD1  ILE  37          HD11      ILE  37   0.647   2.077   4.357
  250   3HD1  ILE  37          HD13      ILE  37  -0.941   2.786   4.650
  251    H    SER  38           HN       SER  38   0.183   8.676   4.434
  252    HA   SER  38           HA       SER  38  -1.718   9.028   2.156
  253   1HB   SER  38           HB2      SER  38  -0.339  11.345   3.449
  254   2HB   SER  38           HB1      SER  38  -1.955  11.250   2.757
  255    HG   SER  38           HG       SER  38  -1.010  10.357   5.259
  256    H    THR  39           HN       THR  39  -0.859  10.551   0.412
  257    HA   THR  39           HA       THR  39   1.662   9.544  -0.559
  258    HB   THR  39           HB       THR  39   1.226  10.745  -2.493
  259    HG1  THR  39           HG1      THR  39  -0.281  12.703  -2.130
  260   1HG2  THR  39          HG22      THR  39  -0.844   9.410  -1.529
  261   2HG2  THR  39          HG21      THR  39  -1.559  11.019  -1.437
  262   3HG2  THR  39          HG23      THR  39  -1.008  10.387  -2.988
  263    H    LYS  40           HN       LYS  40   0.843  12.050   1.613
  264    HA   LYS  40           HA       LYS  40   2.975  13.895   1.087
  265   1HB   LYS  40           HB2      LYS  40   0.992  14.353   2.567
  266   2HB   LYS  40           HB1      LYS  40   1.702  13.276   3.771
  267   1HG   LYS  40           HG2      LYS  40   3.683  15.168   2.853
  268   2HG   LYS  40           HG1      LYS  40   2.245  16.024   3.412
  269   1HD   LYS  40           HD2      LYS  40   2.488  15.306   5.579
  270   2HD   LYS  40           HD1      LYS  40   3.191  13.761   5.099
  271   1HE   LYS  40           HE2      LYS  40   4.881  15.179   6.195
  272   2HE   LYS  40           HE1      LYS  40   5.298  14.911   4.503
  273   1HZ   LYS  40           HZ3      LYS  40   3.712  17.263   5.304
  274   2HZ   LYS  40           HZ2      LYS  40   5.407  17.282   5.432
  275   3HZ   LYS  40           HZ1      LYS  40   4.668  17.044   3.921
  276    H    GLU  41           HN       GLU  41   2.767  11.601   3.832
  277    HA   GLU  41           HA       GLU  41   5.603  11.680   4.315
  278   1HB   GLU  41           HB2      GLU  41   3.349   9.904   5.225
  279   2HB   GLU  41           HB1      GLU  41   5.019   9.489   5.612
  280   1HG   GLU  41           HG2      GLU  41   5.210  11.941   6.444
  281   2HG   GLU  41           HG1      GLU  41   3.447  11.920   6.448
  282    H    LEU  42           HN       LEU  42   3.554   9.746   2.242
  283    HA   LEU  42           HA       LEU  42   5.344   7.562   1.780
  284   1HB   LEU  42           HB2      LEU  42   2.977   7.520   1.082
  285   2HB   LEU  42           HB1      LEU  42   3.294   8.806  -0.080
  286    HG   LEU  42           HG       LEU  42   3.281   6.377  -0.964
  287   1HD1  LEU  42          HD13      LEU  42   4.516   8.649  -1.822
  288   2HD1  LEU  42          HD12      LEU  42   5.896   7.559  -1.683
  289   3HD1  LEU  42          HD11      LEU  42   4.533   7.129  -2.714
  290   1HD2  LEU  42          HD23      LEU  42   4.876   5.775   1.058
  291   2HD2  LEU  42          HD22      LEU  42   5.086   4.982  -0.503
  292   3HD2  LEU  42          HD21      LEU  42   6.137   6.323  -0.046
  293    H    GLY  43           HN       GLY  43   5.044  10.762   0.286
  294   1HA   GLY  43           HA2      GLY  43   6.944  10.305  -1.819
  295   2HA   GLY  43           HA1      GLY  43   6.463  11.889  -1.207
  296    H    THR  44           HN       THR  44   7.250  11.396   1.533
  297    HA   THR  44           HA       THR  44  10.105  11.964   1.254
  298    HB   THR  44           HB       THR  44  10.021  12.260   3.722
  299    HG1  THR  44           HG1      THR  44   8.397  11.507   4.815
  300   1HG2  THR  44          HG22      THR  44   9.246  14.021   2.016
  301   2HG2  THR  44          HG21      THR  44   7.604  13.578   2.485
  302   3HG2  THR  44          HG23      THR  44   8.717  14.239   3.684
  303    H    VAL  45           HN       VAL  45   8.150   9.189   1.904
  304    HA   VAL  45           HA       VAL  45  10.152   7.678   3.360
  305    HB   VAL  45           HB       VAL  45   7.633   6.911   1.867
  306   1HG1  VAL  45          HG11      VAL  45   9.724   5.158   3.167
  307   2HG1  VAL  45          HG13      VAL  45   8.046   4.638   3.016
  308   3HG1  VAL  45          HG12      VAL  45   8.994   4.988   1.571
  309   1HG2  VAL  45          HG21      VAL  45   8.273   7.788   4.517
  310   2HG2  VAL  45          HG23      VAL  45   6.696   7.335   3.871
  311   3HG2  VAL  45          HG22      VAL  45   7.731   6.113   4.608
  312    H    MET  46           HN       MET  46   9.158   7.866  -0.055
  313    HA   MET  46           HA       MET  46  11.324   6.018  -0.831
  314   1HB   MET  46           HB2      MET  46   8.851   6.587  -1.918
  315   2HB   MET  46           HB1      MET  46   9.941   7.492  -2.969
  316   1HG   MET  46           HG2      MET  46   9.676   5.240  -3.859
  317   2HG   MET  46           HG1      MET  46  11.319   5.424  -3.247
  318   1HE   MET  46           HE3      MET  46   7.866   4.997  -2.147
  319   2HE   MET  46           HE2      MET  46   7.741   3.464  -1.287
  320   3HE   MET  46           HE1      MET  46   8.312   4.898  -0.438
  321    H    ARG  47           HN       ARG  47  10.719   9.423  -0.574
  322    HA   ARG  47           HA       ARG  47  12.628  10.397  -2.464
  323   1HB   ARG  47           HB2      ARG  47  11.033  11.925  -1.475
  324   2HB   ARG  47           HB1      ARG  47  11.623  11.565   0.148
  325   1HG   ARG  47           HG2      ARG  47  13.667  12.501  -1.788
  326   2HG   ARG  47           HG1      ARG  47  12.470  13.699  -1.295
  327   1HD   ARG  47           HD2      ARG  47  13.455  13.931   0.715
  328   2HD   ARG  47           HD1      ARG  47  13.351  12.194   1.006
  329    HE   ARG  47           HE       ARG  47  15.502  12.663  -0.800
  330   1HH1  ARG  47          HH11      ARG  47  14.529  12.784   2.492
  331   2HH1  ARG  47          HH12      ARG  47  16.137  12.987   3.103
  332   1HH2  ARG  47          HH21      ARG  47  17.598  13.134  -0.036
  333   2HH2  ARG  47          HH22      ARG  47  17.874  13.186   1.674
  334    H    MET  48           HN       MET  48  12.938   9.485   0.963
  335    HA   MET  48           HA       MET  48  15.728  10.213   1.149
  336   1HB   MET  48           HB2      MET  48  13.787   9.477   2.955
  337   2HB   MET  48           HB1      MET  48  14.803   8.036   2.905
  338   1HG   MET  48           HG2      MET  48  16.657   9.143   3.739
  339   2HG   MET  48           HG1      MET  48  16.147  10.702   3.090
  340   1HE   MET  48           HE1      MET  48  16.123   8.129   5.687
  341   2HE   MET  48           HE3      MET  48  15.049   8.654   6.991
  342   3HE   MET  48           HE2      MET  48  14.378   7.960   5.516
  343    H    LEU  49           HN       LEU  49  14.021   7.138   0.555
  344    HA   LEU  49           HA       LEU  49  16.599   5.772   0.091
  345   1HB   LEU  49           HB2      LEU  49  13.895   4.542  -0.395
  346   2HB   LEU  49           HB1      LEU  49  15.387   3.764   0.135
  347    HG   LEU  49           HG       LEU  49  13.740   5.715   1.771
  348   1HD1  LEU  49          HD13      LEU  49  12.955   3.245   1.321
  349   2HD1  LEU  49          HD12      LEU  49  14.237   2.833   2.459
  350   3HD1  LEU  49          HD11      LEU  49  12.914   3.887   2.962
  351   1HD2  LEU  49          HD23      LEU  49  16.248   5.733   2.134
  352   2HD2  LEU  49          HD22      LEU  49  15.307   5.274   3.553
  353   3HD2  LEU  49          HD21      LEU  49  16.126   4.036   2.599
  354    H    GLY  50           HN       GLY  50  15.177   7.921  -1.710
  355   1HA   GLY  50           HA2      GLY  50  16.003   6.656  -4.222
  356   2HA   GLY  50           HA1      GLY  50  14.277   7.006  -4.125
  357    H    GLN  51           HN       GLN  51  13.629   9.034  -4.684
  358    HA   GLN  51           HA       GLN  51  15.574  11.289  -4.498
  359   1HB   GLN  51           HB2      GLN  51  13.928  11.341  -6.931
  360   2HB   GLN  51           HB1      GLN  51  15.644  11.688  -6.741
  361   1HG   GLN  51           HG2      GLN  51  14.514   8.880  -6.729
  362   2HG   GLN  51           HG1      GLN  51  15.100   9.673  -8.192
  363   1HE2  GLN  51          HE22      GLN  51  17.800   7.768  -6.105
  364   2HE2  GLN  51          HE21      GLN  51  16.157   7.373  -6.265
  365    H    ASN  52           HN       ASN  52  14.378  13.413  -4.504
  366    HA   ASN  52           HA       ASN  52  11.798  13.131  -3.240
  367   1HB   ASN  52           HB2      ASN  52  12.875  15.585  -4.661
  368   2HB   ASN  52           HB1      ASN  52  11.646  15.545  -3.396
  369   1HD2  ASN  52          HD22      ASN  52  14.059  15.792  -0.857
  370   2HD2  ASN  52          HD21      ASN  52  12.467  16.076  -1.373
  371    HA   PRO  53           HA       PRO  53   9.792  12.679  -7.208
  372   1HB   PRO  53           HB2      PRO  53   7.423  11.788  -6.166
  373   2HB   PRO  53           HB1      PRO  53   8.871  10.773  -6.291
  374   1HG   PRO  53           HG2      PRO  53   7.625  11.909  -3.866
  375   2HG   PRO  53           HG1      PRO  53   8.795  10.590  -4.011
  376   1HD   PRO  53           HD2      PRO  53   9.302  13.358  -3.291
  377   2HD   PRO  53           HD1      PRO  53  10.449  12.000  -3.360
  378    H    THR  54           HN       THR  54   7.102  13.180  -7.610
  379    HA   THR  54           HA       THR  54   6.930  16.103  -7.085
  380    HB   THR  54           HB       THR  54   5.161  14.482  -8.926
  381    HG1  THR  54           HG1      THR  54   6.838  14.236 -10.137
  382   1HG2  THR  54          HG21      THR  54   5.515  17.296  -8.234
  383   2HG2  THR  54          HG23      THR  54   5.636  17.013  -9.970
  384   3HG2  THR  54          HG22      THR  54   4.191  16.510  -9.093
  385    H    LYS  55           HN       LYS  55   4.720  16.945  -6.533
  386    HA   LYS  55           HA       LYS  55   3.634  15.565  -4.269
  387   1HB   LYS  55           HB2      LYS  55   3.447  18.002  -4.523
  388   2HB   LYS  55           HB1      LYS  55   2.427  17.784  -5.946
  389   1HG   LYS  55           HG2      LYS  55   1.162  18.237  -3.798
  390   2HG   LYS  55           HG1      LYS  55   0.686  16.763  -4.642
  391   1HD   LYS  55           HD2      LYS  55   1.404  15.433  -2.953
  392   2HD   LYS  55           HD1      LYS  55   2.897  16.353  -2.755
  393   1HE   LYS  55           HE2      LYS  55   0.212  17.361  -1.793
  394   2HE   LYS  55           HE1      LYS  55   1.309  16.432  -0.771
  395   1HZ   LYS  55           HZ2      LYS  55   2.688  18.526  -2.100
  396   2HZ   LYS  55           HZ1      LYS  55   1.369  19.147  -1.227
  397   3HZ   LYS  55           HZ3      LYS  55   2.549  18.220  -0.434
  398    H    GLU  56           HN       GLU  56   2.726  15.684  -7.672
  399    HA   GLU  56           HA       GLU  56   0.295  14.101  -7.142
  400   1HB   GLU  56           HB2      GLU  56   0.384  15.964  -8.864
  401   2HB   GLU  56           HB1      GLU  56   1.430  14.920  -9.827
  402   1HG   GLU  56           HG2      GLU  56  -0.411  13.141  -9.599
  403   2HG   GLU  56           HG1      GLU  56  -1.446  14.451  -9.029
  404    H    GLU  57           HN       GLU  57   3.588  13.574  -7.856
  405    HA   GLU  57           HA       GLU  57   3.388  11.185  -9.432
  406   1HB   GLU  57           HB2      GLU  57   5.504  12.360  -9.279
  407   2HB   GLU  57           HB1      GLU  57   5.544  12.143  -7.530
  408   1HG   GLU  57           HG2      GLU  57   5.899   9.809  -7.710
  409   2HG   GLU  57           HG1      GLU  57   5.397   9.779  -9.401
  410    H    LEU  58           HN       LEU  58   3.079  11.802  -5.994
  411    HA   LEU  58           HA       LEU  58   3.191   8.915  -5.367
  412   1HB   LEU  58           HB2      LEU  58   2.706  11.355  -3.628
  413   2HB   LEU  58           HB1      LEU  58   2.751   9.702  -3.022
  414    HG   LEU  58           HG       LEU  58   4.944  10.428  -2.649
  415   1HD1  LEU  58          HD13      LEU  58   4.720   8.359  -4.200
  416   2HD1  LEU  58          HD12      LEU  58   5.297   9.435  -5.472
  417   3HD1  LEU  58          HD11      LEU  58   6.305   9.122  -4.059
  418   1HD2  LEU  58          HD21      LEU  58   4.296  12.310  -4.690
  419   2HD2  LEU  58          HD23      LEU  58   5.677  12.330  -3.595
  420   3HD2  LEU  58          HD22      LEU  58   5.800  11.516  -5.155
  421    H    ASP  59           HN       ASP  59   0.889  11.211  -6.352
  422    HA   ASP  59           HA       ASP  59  -1.379   9.925  -4.983
  423   1HB   ASP  59           HB2      ASP  59  -1.127  12.442  -5.690
  424   2HB   ASP  59           HB1      ASP  59  -1.668  11.860  -7.265
  425    H    ALA  60           HN       ALA  60   0.227   9.826  -8.101
  426    HA   ALA  60           HA       ALA  60  -1.841   8.546  -9.602
  427   1HB   ALA  60           HB1      ALA  60   0.988   9.115  -9.919
  428   2HB   ALA  60           HB3      ALA  60   0.604   7.500 -10.516
  429   3HB   ALA  60           HB2      ALA  60  -0.248   8.904 -11.160
  430    H    ILE  61           HN       ILE  61   0.834   7.206  -7.665
  431    HA   ILE  61           HA       ILE  61   0.035   4.451  -8.105
  432    HB   ILE  61           HB       ILE  61   1.557   5.206  -5.650
  433   1HG1  ILE  61          HG12      ILE  61   3.507   5.157  -7.623
  434   2HG1  ILE  61          HG11      ILE  61   2.235   6.153  -8.335
  435   1HG2  ILE  61          HG22      ILE  61   1.084   2.850  -6.603
  436   2HG2  ILE  61          HG21      ILE  61   2.301   3.251  -7.816
  437   3HG2  ILE  61          HG23      ILE  61   2.736   3.222  -6.107
  438   1HD1  ILE  61          HD12      ILE  61   3.031   6.604  -5.479
  439   2HD1  ILE  61          HD11      ILE  61   4.034   7.265  -6.771
  440   3HD1  ILE  61          HD13      ILE  61   2.342   7.742  -6.637
  441    H    ILE  62           HN       ILE  62  -0.561   6.879  -5.596
  442    HA   ILE  62           HA       ILE  62  -2.017   5.017  -3.903
  443    HB   ILE  62           HB       ILE  62  -1.695   8.023  -3.906
  444   1HG1  ILE  62          HG12      ILE  62   0.144   6.428  -3.129
  445   2HG1  ILE  62          HG11      ILE  62  -0.377   7.626  -1.944
  446   1HG2  ILE  62          HG23      ILE  62  -3.556   6.274  -2.321
  447   2HG2  ILE  62          HG22      ILE  62  -2.849   7.700  -1.562
  448   3HG2  ILE  62          HG21      ILE  62  -3.848   7.872  -3.006
  449   1HD1  ILE  62          HD11      ILE  62  -1.685   4.916  -2.035
  450   2HD1  ILE  62          HD13      ILE  62  -0.154   5.137  -1.187
  451   3HD1  ILE  62          HD12      ILE  62  -1.580   6.048  -0.688
  452    H    GLU  63           HN       GLU  63  -2.737   6.549  -6.806
  453    HA   GLU  63           HA       GLU  63  -5.617   6.879  -6.233
  454   1HB   GLU  63           HB2      GLU  63  -4.692   8.564  -7.673
  455   2HB   GLU  63           HB1      GLU  63  -3.924   7.352  -8.700
  456   1HG   GLU  63           HG2      GLU  63  -5.859   6.878  -9.816
  457   2HG   GLU  63           HG1      GLU  63  -6.855   7.071  -8.373
  458    H    GLU  64           HN       GLU  64  -3.421   4.555  -7.555
  459    HA   GLU  64           HA       GLU  64  -5.563   3.052  -8.923
  460   1HB   GLU  64           HB2      GLU  64  -3.744   1.486  -9.519
  461   2HB   GLU  64           HB1      GLU  64  -3.317   3.143  -9.944
  462   1HG   GLU  64           HG2      GLU  64  -1.873   3.367  -8.068
  463   2HG   GLU  64           HG1      GLU  64  -2.521   1.916  -7.301
  464    H    VAL  65           HN       VAL  65  -4.623   3.419  -5.781
  465    HA   VAL  65           HA       VAL  65  -5.541   0.659  -5.103
  466    HB   VAL  65           HB       VAL  65  -4.001   0.923  -3.051
  467   1HG1  VAL  65          HG13      VAL  65  -3.633  -0.507  -5.165
  468   2HG1  VAL  65          HG12      VAL  65  -2.533   0.770  -5.688
  469   3HG1  VAL  65          HG11      VAL  65  -2.207  -0.123  -4.202
  470   1HG2  VAL  65          HG23      VAL  65  -2.986   3.114  -4.877
  471   2HG2  VAL  65          HG22      VAL  65  -3.457   3.252  -3.184
  472   3HG2  VAL  65          HG21      VAL  65  -1.985   2.386  -3.622
  473    H    ASP  66           HN       ASP  66  -5.069   3.977  -3.867
  474    HA   ASP  66           HA       ASP  66  -6.584   3.909  -1.548
  475   1HB   ASP  66           HB2      ASP  66  -5.489   5.956  -2.273
  476   2HB   ASP  66           HB1      ASP  66  -6.554   6.073  -3.673
  477    H    GLU  67           HN       GLU  67  -8.265   5.518  -4.191
  478    HA   GLU  67           HA       GLU  67 -10.340   3.501  -4.432
  479   1HB   GLU  67           HB2      GLU  67 -10.571   5.010  -2.159
  480   2HB   GLU  67           HB1      GLU  67 -11.524   5.956  -3.302
  481   1HG   GLU  67           HG2      GLU  67 -11.869   2.974  -2.887
  482   2HG   GLU  67           HG1      GLU  67 -12.852   4.197  -2.082
  483    H    ASP  68           HN       ASP  68 -10.507   7.077  -4.460
  484    HA   ASP  68           HA       ASP  68 -10.853   6.904  -7.425
  485   1HB   ASP  68           HB2      ASP  68 -13.044   7.245  -6.312
  486   2HB   ASP  68           HB1      ASP  68 -12.407   8.695  -5.533
  487    H    GLY  69           HN       GLY  69  -8.920   8.025  -5.027
  488   1HA   GLY  69           HA2      GLY  69  -6.982   9.399  -5.797
  489   2HA   GLY  69           HA1      GLY  69  -8.144  10.422  -6.642
  490    H    SER  70           HN       SER  70  -7.234   9.336  -3.370
  491    HA   SER  70           HA       SER  70  -8.249  11.965  -2.357
  492   1HB   SER  70           HB2      SER  70  -9.112   9.461  -1.578
  493   2HB   SER  70           HB1      SER  70  -7.889   9.831  -0.365
  494    HG   SER  70           HG       SER  70  -9.252  11.183   0.468
  495    H    GLY  71           HN       GLY  71  -5.585   9.779  -2.619
  496   1HA   GLY  71           HA2      GLY  71  -3.300  10.393  -2.261
  497   2HA   GLY  71           HA1      GLY  71  -3.846  11.772  -1.304
  498    H    THR  72           HN       THR  72  -5.147   8.574  -0.749
  499    HA   THR  72           HA       THR  72  -3.293   7.956   1.424
  500    HB   THR  72           HB       THR  72  -4.469   9.361   2.839
  501    HG1  THR  72           HG1      THR  72  -6.406   7.362   2.976
  502   1HG2  THR  72          HG23      THR  72  -6.619   8.976   0.833
  503   2HG2  THR  72          HG22      THR  72  -7.154   9.296   2.483
  504   3HG2  THR  72          HG21      THR  72  -6.098  10.444   1.659
  505    H    ILE  73           HN       ILE  73  -4.027   5.903   2.562
  506    HA   ILE  73           HA       ILE  73  -5.982   4.302   1.011
  507    HB   ILE  73           HB       ILE  73  -4.082   2.424   1.198
  508   1HG1  ILE  73          HG12      ILE  73  -2.511   4.988   0.787
  509   2HG1  ILE  73          HG11      ILE  73  -2.490   4.038   2.274
  510   1HG2  ILE  73          HG23      ILE  73  -4.411   4.555  -0.923
  511   2HG2  ILE  73          HG22      ILE  73  -3.378   3.143  -1.153
  512   3HG2  ILE  73          HG21      ILE  73  -5.110   2.936  -0.895
  513   1HD1  ILE  73          HD12      ILE  73  -2.037   2.298   0.025
  514   2HD1  ILE  73          HD11      ILE  73  -0.902   3.646  -0.039
  515   3HD1  ILE  73          HD13      ILE  73  -0.977   2.624   1.396
  516    H    ASP  74           HN       ASP  74  -5.534   1.843   2.203
  517    HA   ASP  74           HA       ASP  74  -5.750   2.451   5.125
  518   1HB   ASP  74           HB2      ASP  74  -7.787   1.491   3.428
  519   2HB   ASP  74           HB1      ASP  74  -7.245   0.092   4.356
  520    H    PHE  75           HN       PHE  75  -6.099  -0.374   5.771
  521    HA   PHE  75           HA       PHE  75  -3.270  -1.169   5.495
  522   1HB   PHE  75           HB2      PHE  75  -3.545  -2.113   7.530
  523   2HB   PHE  75           HB1      PHE  75  -5.129  -1.349   7.569
  524    HD1  PHE  75           HD2      PHE  75  -7.032  -2.695   6.258
  525    HD2  PHE  75           HD1      PHE  75  -3.420  -4.417   7.817
  526    HE1  PHE  75           HE2      PHE  75  -8.103  -4.931   6.269
  527    HE2  PHE  75           HE1      PHE  75  -4.490  -6.654   7.828
  528    HZ   PHE  75           HZ       PHE  75  -6.832  -6.911   7.054
  529    H    GLU  76           HN       GLU  76  -6.389  -2.006   4.224
  530    HA   GLU  76           HA       GLU  76  -5.424  -4.593   3.171
  531   1HB   GLU  76           HB2      GLU  76  -7.755  -4.618   2.117
  532   2HB   GLU  76           HB1      GLU  76  -7.706  -4.634   3.880
  533   1HG   GLU  76           HG2      GLU  76  -8.223  -2.301   4.009
  534   2HG   GLU  76           HG1      GLU  76  -7.953  -2.078   2.280
  535    H    GLU  77           HN       GLU  77  -6.157  -1.325   2.054
  536    HA   GLU  77           HA       GLU  77  -5.846  -1.970  -0.765
  537   1HB   GLU  77           HB2      GLU  77  -5.508   0.770   0.464
  538   2HB   GLU  77           HB1      GLU  77  -6.079   0.363  -1.155
  539   1HG   GLU  77           HG2      GLU  77  -8.073  -0.743  -0.121
  540   2HG   GLU  77           HG1      GLU  77  -7.525  -0.172   1.456
  541    H    PHE  78           HN       PHE  78  -3.719  -0.867   1.825
  542    HA   PHE  78           HA       PHE  78  -1.496  -0.290   0.028
  543   1HB   PHE  78           HB2      PHE  78  -1.859   0.688   2.374
  544   2HB   PHE  78           HB1      PHE  78  -1.289  -0.864   2.989
  545    HD1  PHE  78           HD2      PHE  78  -0.226   1.153   0.017
  546    HD2  PHE  78           HD1      PHE  78   0.889  -0.550   3.799
  547    HE1  PHE  78           HE2      PHE  78   2.121   1.863  -0.355
  548    HE2  PHE  78           HE1      PHE  78   3.236   0.160   3.427
  549    HZ   PHE  78           HZ       PHE  78   3.852   1.367   1.349
  550    H    LEU  79           HN       LEU  79  -2.919  -3.133   1.165
  551    HA   LEU  79           HA       LEU  79  -0.424  -4.696   1.235
  552   1HB   LEU  79           HB2      LEU  79  -3.153  -5.053   2.126
  553   2HB   LEU  79           HB1      LEU  79  -2.646  -6.433   1.152
  554    HG   LEU  79           HG       LEU  79  -0.566  -5.536   3.009
  555   1HD1  LEU  79          HD12      LEU  79  -3.333  -6.070   3.980
  556   2HD1  LEU  79          HD11      LEU  79  -2.013  -6.828   4.870
  557   3HD1  LEU  79          HD13      LEU  79  -2.064  -5.074   4.693
  558   1HD2  LEU  79          HD23      LEU  79  -1.659  -7.958   1.820
  559   2HD2  LEU  79          HD22      LEU  79  -0.045  -7.667   2.469
  560   3HD2  LEU  79          HD21      LEU  79  -1.349  -8.174   3.542
  561    H    VAL  80           HN       VAL  80  -3.129  -4.090  -0.945
  562    HA   VAL  80           HA       VAL  80  -2.633  -6.205  -2.793
  563    HB   VAL  80           HB       VAL  80  -3.795  -4.689  -4.445
  564   1HG1  VAL  80          HG13      VAL  80  -4.973  -6.203  -2.785
  565   2HG1  VAL  80          HG12      VAL  80  -5.165  -4.791  -1.745
  566   3HG1  VAL  80          HG11      VAL  80  -5.925  -4.825  -3.336
  567   1HG2  VAL  80          HG21      VAL  80  -2.816  -2.677  -2.839
  568   2HG2  VAL  80          HG23      VAL  80  -4.110  -2.479  -4.020
  569   3HG2  VAL  80          HG22      VAL  80  -4.500  -2.770  -2.325
  570    H    MET  81           HN       MET  81  -1.064  -3.107  -2.298
  571    HA   MET  81           HA       MET  81   0.406  -3.244  -4.834
  572   1HB   MET  81           HB2      MET  81  -0.278  -1.133  -3.386
  573   2HB   MET  81           HB1      MET  81   1.246  -1.474  -2.567
  574   1HG   MET  81           HG2      MET  81   1.731  -1.704  -5.359
  575   2HG   MET  81           HG1      MET  81   0.835  -0.205  -5.109
  576   1HE   MET  81           HE2      MET  81   1.150   0.961  -2.893
  577   2HE   MET  81           HE1      MET  81   2.202   0.138  -1.742
  578   3HE   MET  81           HE3      MET  81   2.707   1.670  -2.470
  579    H    MET  82           HN       MET  82   0.843  -4.315  -1.549
  580    HA   MET  82           HA       MET  82   3.734  -4.618  -1.732
  581   1HB   MET  82           HB2      MET  82   2.041  -4.559   0.366
  582   2HB   MET  82           HB1      MET  82   2.175  -6.306   0.160
  583   1HG   MET  82           HG2      MET  82   4.684  -4.675   0.099
  584   2HG   MET  82           HG1      MET  82   3.921  -4.980   1.661
  585   1HE   MET  82           HE1      MET  82   6.426  -5.692   1.708
  586   2HE   MET  82           HE3      MET  82   5.653  -6.794   2.856
  587   3HE   MET  82           HE2      MET  82   6.839  -7.405   1.705
  588    H    VAL  83           HN       VAL  83   0.923  -6.649  -2.369
  589    HA   VAL  83           HA       VAL  83   2.295  -9.147  -2.596
  590    HB   VAL  83           HB       VAL  83  -0.226  -8.107  -3.915
  591   1HG1  VAL  83          HG12      VAL  83   1.325 -10.555  -4.376
  592   2HG1  VAL  83          HG11      VAL  83  -0.349 -10.872  -3.919
  593   3HG1  VAL  83          HG13      VAL  83   0.006  -9.866  -5.323
  594   1HG2  VAL  83          HG21      VAL  83   0.480  -9.394  -1.353
  595   2HG2  VAL  83          HG23      VAL  83  -0.927  -8.415  -1.770
  596   3HG2  VAL  83          HG22      VAL  83  -0.893 -10.130  -2.182
  597    H    ARG  84           HN       ARG  84   1.890  -6.449  -4.813
  598    HA   ARG  84           HA       ARG  84   2.837  -7.863  -7.158
  599   1HB   ARG  84           HB2      ARG  84   1.882  -5.227  -6.511
  600   2HB   ARG  84           HB1      ARG  84   3.391  -5.091  -7.414
  601   1HG   ARG  84           HG2      ARG  84   2.531  -6.371  -9.236
  602   2HG   ARG  84           HG1      ARG  84   1.135  -6.901  -8.295
  603   1HD   ARG  84           HD2      ARG  84   0.224  -4.661  -8.262
  604   2HD   ARG  84           HD1      ARG  84   1.683  -4.009  -9.009
  605    HE   ARG  84           HE       ARG  84   0.647  -5.991 -10.752
  606   1HH1  ARG  84          HH11      ARG  84  -1.992  -4.917 -10.070
  607   2HH1  ARG  84          HH12      ARG  84  -2.156  -3.556 -11.128
  608   1HH2  ARG  84          HH21      ARG  84   1.233  -3.369 -11.844
  609   2HH2  ARG  84          HH22      ARG  84  -0.328  -2.676 -12.131
  610    H    GLN  85           HN       GLN  85   4.446  -5.040  -5.705
  611    HA   GLN  85           HA       GLN  85   7.055  -6.206  -6.412
  612   1HB   GLN  85           HB2      GLN  85   6.572  -3.790  -6.789
  613   2HB   GLN  85           HB1      GLN  85   6.403  -3.576  -5.047
  614   1HG   GLN  85           HG2      GLN  85   8.649  -3.645  -4.695
  615   2HG   GLN  85           HG1      GLN  85   8.890  -4.936  -5.873
  616   1HE2  GLN  85          HE22      GLN  85   9.007  -2.526  -8.650
  617   2HE2  GLN  85          HE21      GLN  85   8.231  -3.990  -8.278
  618    H    MET  86           HN       MET  86   7.135  -7.976  -4.900
  619    HA   MET  86           HA       MET  86   6.917  -7.430  -2.031
  620   1HB   MET  86           HB2      MET  86   7.454  -9.825  -3.738
  621   2HB   MET  86           HB1      MET  86   7.999  -9.871  -2.061
  622   1HG   MET  86           HG2      MET  86   5.519  -8.899  -1.670
  623   2HG   MET  86           HG1      MET  86   5.230  -9.810  -3.152
  624   1HE   MET  86           HE1      MET  86   3.666 -10.267  -1.202
  625   2HE   MET  86           HE3      MET  86   3.581 -12.030  -1.330
  626   3HE   MET  86           HE2      MET  86   4.012 -11.273   0.202
  627    H    LYS  87           HN       LYS  87   8.657  -7.295  -0.575
  628    HA   LYS  87           HA       LYS  87  11.134  -6.254  -1.614
  629   1HB   LYS  87           HB2      LYS  87  10.029  -6.913   1.072
  630   2HB   LYS  87           HB1      LYS  87  11.785  -6.832   0.933
  631   1HG   LYS  87           HG2      LYS  87  11.745  -4.584   0.802
  632   2HG   LYS  87           HG1      LYS  87  10.528  -4.624  -0.474
  633   1HD   LYS  87           HD2      LYS  87   8.950  -3.974   0.989
  634   2HD   LYS  87           HD1      LYS  87   9.280  -5.390   1.988
  635   1HE   LYS  87           HE2      LYS  87  11.355  -3.995   2.792
  636   2HE   LYS  87           HE1      LYS  87  10.423  -2.621   2.200
  637   1HZ   LYS  87           HZ1      LYS  87   9.198  -4.627   3.982
  638   2HZ   LYS  87           HZ3      LYS  87  10.114  -3.348   4.618
  639   3HZ   LYS  87           HZ2      LYS  87   8.723  -3.021   3.698
  640    H    GLU  88           HN       GLU  88   9.976  -9.432  -1.136
  641    HA   GLU  88           HA       GLU  88  12.590 -10.671  -0.703
  642   1HB   GLU  88           HB2      GLU  88  10.356 -11.642   0.043
  643   2HB   GLU  88           HB1      GLU  88  10.051 -12.018  -1.653
  644   1HG   GLU  88           HG2      GLU  88  11.023 -14.001  -0.880
  645   2HG   GLU  88           HG1      GLU  88  12.409 -13.149  -1.559
  646    H    ASP  89           HN       ASP  89  11.241  -9.178  -3.329
  647    HA   ASP  89           HA       ASP  89  11.868  -9.155  -5.591
  648   1HB   ASP  89           HB2      ASP  89  13.886 -11.287  -4.849
  649   2HB   ASP  89           HB1      ASP  89  13.944 -10.185  -6.225
  650    H    ALA  90           HN       ALA  90   9.621 -10.494  -5.202
  651    HA   ALA  90           HA       ALA  90   9.983 -13.138  -6.551
  652   1HB   ALA  90           HB3      ALA  90   8.237 -12.211  -4.380
  653   2HB   ALA  90           HB2      ALA  90   7.369 -13.075  -5.650
  654   3HB   ALA  90           HB1      ALA  90   8.714 -13.853  -4.813
   
  No H/Q in entry =         654
  Start of MODEL   28
    1   1H    ALA   1           HT1      ALA   1 -17.560  -6.394  -9.592
    2   2H    ALA   1           HT3      ALA   1 -16.339  -6.541 -10.761
    3   3H    ALA   1           HT2      ALA   1 -17.355  -7.861 -10.425
    4    HA   ALA   1           HA       ALA   1 -16.371  -8.296  -8.390
    5   1HB   ALA   1           HB3      ALA   1 -14.816  -8.173 -10.682
    6   2HB   ALA   1           HB2      ALA   1 -13.844  -7.304  -9.495
    7   3HB   ALA   1           HB1      ALA   1 -14.354  -8.962  -9.174
    8    H    SER   2           HN       SER   2 -15.753  -5.019  -9.512
    9    HA   SER   2           HA       SER   2 -15.262  -3.065  -8.319
   10   1HB   SER   2           HB2      SER   2 -16.270  -4.767  -6.022
   11   2HB   SER   2           HB1      SER   2 -15.958  -3.037  -5.920
   12    HG   SER   2           HG       SER   2 -17.434  -2.938  -7.824
   13    H    MET   3           HN       MET   3 -14.492  -4.704  -5.361
   14    HA   MET   3           HA       MET   3 -11.615  -4.821  -6.084
   15   1HB   MET   3           HB2      MET   3 -11.916  -2.576  -5.175
   16   2HB   MET   3           HB1      MET   3 -12.745  -3.231  -3.763
   17   1HG   MET   3           HG2      MET   3 -10.800  -3.785  -2.749
   18   2HG   MET   3           HG1      MET   3 -10.138  -4.482  -4.228
   19   1HE   MET   3           HE3      MET   3  -9.429  -3.381  -6.086
   20   2HE   MET   3           HE2      MET   3 -10.084  -1.768  -6.354
   21   3HE   MET   3           HE1      MET   3  -8.357  -1.974  -6.073
   22    H    THR   4           HN       THR   4 -14.139  -6.467  -4.933
   23    HA   THR   4           HA       THR   4 -12.937  -7.627  -2.524
   24    HB   THR   4           HB       THR   4 -15.406  -7.479  -2.805
   25    HG1  THR   4           HG1      THR   4 -14.328  -9.190  -1.586
   26   1HG2  THR   4          HG23      THR   4 -15.359  -7.892  -5.276
   27   2HG2  THR   4          HG22      THR   4 -15.000  -9.585  -4.942
   28   3HG2  THR   4          HG21      THR   4 -16.534  -8.890  -4.420
   29    H    ASP   5           HN       ASP   5 -13.529  -8.671  -5.883
   30    HA   ASP   5           HA       ASP   5 -12.062 -11.172  -5.483
   31   1HB   ASP   5           HB2      ASP   5 -13.965 -10.777  -7.167
   32   2HB   ASP   5           HB1      ASP   5 -12.775  -9.912  -8.140
   33    H    GLN   6           HN       GLN   6 -11.428  -7.959  -6.781
   34    HA   GLN   6           HA       GLN   6  -8.908  -8.510  -8.015
   35   1HB   GLN   6           HB2      GLN   6 -10.511  -6.218  -7.441
   36   2HB   GLN   6           HB1      GLN   6  -8.886  -5.898  -6.836
   37   1HG   GLN   6           HG2      GLN   6  -9.390  -7.012  -9.596
   38   2HG   GLN   6           HG1      GLN   6  -9.309  -5.280  -9.275
   39   1HE2  GLN   6          HE22      GLN   6  -5.784  -5.299  -8.641
   40   2HE2  GLN   6          HE21      GLN   6  -7.224  -4.455  -8.329
   41    H    GLN   7           HN       GLN   7  -9.771  -7.494  -4.719
   42    HA   GLN   7           HA       GLN   7  -6.967  -7.610  -3.864
   43   1HB   GLN   7           HB2      GLN   7  -7.700  -6.647  -1.866
   44   2HB   GLN   7           HB1      GLN   7  -8.881  -6.027  -3.017
   45   1HG   GLN   7           HG2      GLN   7 -10.161  -8.277  -2.356
   46   2HG   GLN   7           HG1      GLN   7  -9.219  -8.089  -0.878
   47   1HE2  GLN   7          HE21      GLN   7 -12.053  -7.793  -0.822
   48   2HE2  GLN   7          HE22      GLN   7 -12.427  -6.168  -0.513
   49    H    ALA   8           HN       ALA   8  -9.758  -9.690  -3.888
   50    HA   ALA   8           HA       ALA   8  -9.312 -11.481  -1.815
   51   1HB   ALA   8           HB3      ALA   8  -9.999 -12.143  -4.693
   52   2HB   ALA   8           HB2      ALA   8 -10.186 -13.254  -3.336
   53   3HB   ALA   8           HB1      ALA   8 -11.146 -11.775  -3.404
   54    H    GLU   9           HN       GLU   9  -7.744 -11.585  -5.021
   55    HA   GLU   9           HA       GLU   9  -6.014 -13.779  -4.372
   56   1HB   GLU   9           HB2      GLU   9  -6.413 -13.262  -6.684
   57   2HB   GLU   9           HB1      GLU   9  -5.844 -11.605  -6.471
   58   1HG   GLU   9           HG2      GLU   9  -3.653 -12.205  -6.556
   59   2HG   GLU   9           HG1      GLU   9  -3.927 -13.698  -5.656
   60    H    ALA  10           HN       ALA  10  -5.688 -10.274  -4.004
   61    HA   ALA  10           HA       ALA  10  -2.888 -10.196  -3.484
   62   1HB   ALA  10           HB2      ALA  10  -5.198  -8.449  -2.649
   63   2HB   ALA  10           HB1      ALA  10  -3.564  -8.124  -2.072
   64   3HB   ALA  10           HB3      ALA  10  -3.909  -8.095  -3.800
   65    H    ARG  11           HN       ARG  11  -5.644 -10.844  -1.339
   66    HA   ARG  11           HA       ARG  11  -3.982 -10.983   1.048
   67   1HB   ARG  11           HB2      ARG  11  -6.798 -11.095   0.410
   68   2HB   ARG  11           HB1      ARG  11  -6.368 -12.428   1.482
   69   1HG   ARG  11           HG2      ARG  11  -5.250 -10.811   3.005
   70   2HG   ARG  11           HG1      ARG  11  -5.768  -9.492   1.954
   71   1HD   ARG  11           HD2      ARG  11  -7.732  -9.432   3.047
   72   2HD   ARG  11           HD1      ARG  11  -8.069 -11.066   2.476
   73    HE   ARG  11           HE       ARG  11  -7.240 -11.929   4.575
   74   1HH1  ARG  11          HH11      ARG  11  -5.069 -10.042   5.211
   75   2HH1  ARG  11          HH12      ARG  11  -5.746  -9.083   6.486
   76   1HH2  ARG  11          HH21      ARG  11  -9.015 -10.026   5.821
   77   2HH2  ARG  11          HH22      ARG  11  -7.978  -9.073   6.829
   78    H    ALA  12           HN       ALA  12  -4.991 -13.193  -1.452
   79    HA   ALA  12           HA       ALA  12  -4.749 -15.685  -0.205
   80   1HB   ALA  12           HB3      ALA  12  -3.876 -14.813  -2.971
   81   2HB   ALA  12           HB2      ALA  12  -3.910 -16.498  -2.451
   82   3HB   ALA  12           HB1      ALA  12  -5.405 -15.566  -2.521
   83    H    PHE  13           HN       PHE  13  -2.054 -14.426  -2.180
   84    HA   PHE  13           HA       PHE  13  -0.091 -16.010  -0.848
   85   1HB   PHE  13           HB2      PHE  13   0.325 -15.079  -3.066
   86   2HB   PHE  13           HB1      PHE  13   0.227 -13.439  -2.424
   87    HD1  PHE  13           HD1      PHE  13   2.041 -16.660  -1.754
   88    HD2  PHE  13           HD2      PHE  13   2.217 -12.369  -1.857
   89    HE1  PHE  13           HE1      PHE  13   4.448 -16.743  -1.163
   90    HE2  PHE  13           HE2      PHE  13   4.624 -12.454  -1.267
   91    HZ   PHE  13           HZ       PHE  13   5.739 -14.640  -0.920
   92    H    LEU  14           HN       LEU  14  -1.620 -13.054   0.059
   93    HA   LEU  14           HA       LEU  14   0.530 -12.208   1.867
   94   1HB   LEU  14           HB2      LEU  14  -2.124 -11.183   1.030
   95   2HB   LEU  14           HB1      LEU  14  -1.641 -10.784   2.678
   96    HG   LEU  14           HG       LEU  14  -0.929  -9.119   0.879
   97   1HD1  LEU  14          HD11      LEU  14   0.905 -10.455   2.844
   98   2HD1  LEU  14          HD13      LEU  14   1.543  -9.186   1.796
   99   3HD1  LEU  14          HD12      LEU  14   0.206  -8.836   2.893
  100   1HD2  LEU  14          HD23      LEU  14  -0.265 -11.062  -0.690
  101   2HD2  LEU  14          HD22      LEU  14   0.838  -9.689  -0.601
  102   3HD2  LEU  14          HD21      LEU  14   1.206 -11.173   0.278
  103    H    SER  15           HN       SER  15   0.506 -14.454   2.903
  104    HA   SER  15           HA       SER  15  -1.602 -15.511   4.413
  105   1HB   SER  15           HB2      SER  15   0.728 -16.499   4.079
  106   2HB   SER  15           HB1      SER  15   1.265 -15.445   5.383
  107    HG   SER  15           HG       SER  15   0.245 -16.660   6.781
  108    H    GLU  16           HN       GLU  16  -2.169 -15.284   6.674
  109    HA   GLU  16           HA       GLU  16  -2.525 -12.661   7.600
  110   1HB   GLU  16           HB2      GLU  16  -3.315 -15.112   8.481
  111   2HB   GLU  16           HB1      GLU  16  -2.122 -14.699   9.712
  112   1HG   GLU  16           HG2      GLU  16  -3.632 -13.350  10.690
  113   2HG   GLU  16           HG1      GLU  16  -3.659 -12.358   9.231
  114    H    GLU  17           HN       GLU  17   0.282 -14.714   7.808
  115    HA   GLU  17           HA       GLU  17   1.595 -13.168   9.899
  116   1HB   GLU  17           HB2      GLU  17   2.291 -15.456   8.132
  117   2HB   GLU  17           HB1      GLU  17   3.637 -14.477   8.714
  118   1HG   GLU  17           HG2      GLU  17   3.292 -15.060  10.917
  119   2HG   GLU  17           HG1      GLU  17   1.553 -15.269  10.698
  120    H    MET  18           HN       MET  18   1.774 -13.315   6.345
  121    HA   MET  18           HA       MET  18   3.930 -11.555   5.929
  122   1HB   MET  18           HB2      MET  18   1.378 -11.956   4.351
  123   2HB   MET  18           HB1      MET  18   2.695 -10.926   3.789
  124   1HG   MET  18           HG2      MET  18   3.962 -13.290   4.570
  125   2HG   MET  18           HG1      MET  18   2.491 -13.832   3.763
  126   1HE   MET  18           HE1      MET  18   5.550 -11.485   3.605
  127   2HE   MET  18           HE3      MET  18   6.022 -13.163   3.302
  128   3HE   MET  18           HE2      MET  18   6.214 -11.949   2.041
  129    H    ILE  19           HN       ILE  19   0.498 -10.795   6.501
  130    HA   ILE  19           HA       ILE  19   0.927  -7.921   6.354
  131    HB   ILE  19           HB       ILE  19  -1.373  -9.487   7.564
  132   1HG1  ILE  19          HG12      ILE  19  -2.221  -8.420   5.167
  133   2HG1  ILE  19          HG11      ILE  19  -0.561  -8.895   4.798
  134   1HG2  ILE  19          HG23      ILE  19  -0.776  -6.767   7.739
  135   2HG2  ILE  19          HG22      ILE  19  -1.935  -6.867   6.413
  136   3HG2  ILE  19          HG21      ILE  19  -2.358  -7.504   8.003
  137   1HD1  ILE  19          HD13      ILE  19  -2.058 -10.885   6.370
  138   2HD1  ILE  19          HD12      ILE  19  -2.713 -10.601   4.757
  139   3HD1  ILE  19          HD11      ILE  19  -1.035 -11.109   4.952
  140    H    ALA  20           HN       ALA  20   0.740 -10.339   8.924
  141    HA   ALA  20           HA       ALA  20   0.668  -8.600  11.159
  142   1HB   ALA  20           HB2      ALA  20   1.661 -11.384  10.678
  143   2HB   ALA  20           HB1      ALA  20   2.072 -10.595  12.201
  144   3HB   ALA  20           HB3      ALA  20   0.382 -10.825  11.754
  145    H    GLU  21           HN       GLU  21   3.272  -9.387   8.970
  146    HA   GLU  21           HA       GLU  21   5.332  -8.287  10.761
  147   1HB   GLU  21           HB2      GLU  21   5.467 -10.136   8.791
  148   2HB   GLU  21           HB1      GLU  21   5.919  -8.696   7.877
  149   1HG   GLU  21           HG2      GLU  21   7.974  -8.742   8.785
  150   2HG   GLU  21           HG1      GLU  21   7.276  -8.634  10.402
  151    H    PHE  22           HN       PHE  22   3.432  -7.263   7.970
  152    HA   PHE  22           HA       PHE  22   4.950  -4.759   7.702
  153   1HB   PHE  22           HB2      PHE  22   3.358  -6.255   5.984
  154   2HB   PHE  22           HB1      PHE  22   2.352  -4.858   6.365
  155    HD1  PHE  22           HD2      PHE  22   4.450  -2.794   6.844
  156    HD2  PHE  22           HD1      PHE  22   4.112  -5.789   3.783
  157    HE1  PHE  22           HE2      PHE  22   5.817  -1.392   5.321
  158    HE2  PHE  22           HE1      PHE  22   5.479  -4.387   2.261
  159    HZ   PHE  22           HZ       PHE  22   6.332  -2.189   3.029
  160    H    LYS  23           HN       LYS  23   2.797  -5.807   9.937
  161    HA   LYS  23           HA       LYS  23   1.143  -3.369  10.062
  162   1HB   LYS  23           HB2      LYS  23   1.187  -6.019  11.396
  163   2HB   LYS  23           HB1      LYS  23   0.627  -4.675  12.390
  164   1HG   LYS  23           HG2      LYS  23  -1.009  -4.063  10.644
  165   2HG   LYS  23           HG1      LYS  23  -0.454  -5.413   9.653
  166   1HD   LYS  23           HD2      LYS  23  -1.038  -6.943  11.588
  167   2HD   LYS  23           HD1      LYS  23  -1.810  -5.556  12.356
  168   1HE   LYS  23           HE2      LYS  23  -3.063  -5.318  10.069
  169   2HE   LYS  23           HE1      LYS  23  -2.600  -7.005   9.843
  170   1HZ   LYS  23           HZ2      LYS  23  -3.559  -6.751  12.439
  171   2HZ   LYS  23           HZ1      LYS  23  -4.667  -5.949  11.432
  172   3HZ   LYS  23           HZ3      LYS  23  -4.281  -7.574  11.140
  173    H    ALA  24           HN       ALA  24   4.252  -3.783  10.684
  174    HA   ALA  24           HA       ALA  24   4.324  -2.656  13.412
  175   1HB   ALA  24           HB1      ALA  24   6.206  -3.995  11.611
  176   2HB   ALA  24           HB3      ALA  24   6.913  -2.597  12.422
  177   3HB   ALA  24           HB2      ALA  24   6.209  -3.905  13.372
  178    H    ALA  25           HN       ALA  25   5.890  -1.699  10.329
  179    HA   ALA  25           HA       ALA  25   6.006   1.081  11.273
  180   1HB   ALA  25           HB1      ALA  25   7.821  -0.126   9.915
  181   2HB   ALA  25           HB3      ALA  25   6.760   0.088   8.523
  182   3HB   ALA  25           HB2      ALA  25   7.383   1.497   9.383
  183    H    PHE  26           HN       PHE  26   3.990  -0.841   9.161
  184    HA   PHE  26           HA       PHE  26   2.880   1.447   7.740
  185   1HB   PHE  26           HB2      PHE  26   2.873  -0.811   6.741
  186   2HB   PHE  26           HB1      PHE  26   1.814  -1.376   8.034
  187    HD1  PHE  26           HD1      PHE  26   1.403   2.043   6.805
  188    HD2  PHE  26           HD2      PHE  26   0.109  -2.028   6.343
  189    HE1  PHE  26           HE1      PHE  26  -0.581   2.817   5.537
  190    HE2  PHE  26           HE2      PHE  26  -1.875  -1.253   5.076
  191    HZ   PHE  26           HZ       PHE  26  -2.221   1.170   4.673
  192    H    ASP  27           HN       ASP  27   1.767  -0.628  10.424
  193    HA   ASP  27           HA       ASP  27  -0.732   0.748  10.782
  194   1HB   ASP  27           HB2      ASP  27  -0.405  -1.477  11.714
  195   2HB   ASP  27           HB1      ASP  27   0.927  -0.897  12.716
  196    H    MET  28           HN       MET  28   2.321   0.947  12.650
  197    HA   MET  28           HA       MET  28   1.679   2.958  14.439
  198   1HB   MET  28           HB2      MET  28   4.195   2.266  12.977
  199   2HB   MET  28           HB1      MET  28   4.154   3.766  13.902
  200   1HG   MET  28           HG2      MET  28   3.376   2.475  15.891
  201   2HG   MET  28           HG1      MET  28   3.549   0.990  14.958
  202   1HE   MET  28           HE2      MET  28   4.554   0.435  16.982
  203   2HE   MET  28           HE1      MET  28   6.032  -0.275  16.336
  204   3HE   MET  28           HE3      MET  28   6.116   0.932  17.626
  205    H    PHE  29           HN       PHE  29   2.469   3.357  10.999
  206    HA   PHE  29           HA       PHE  29   2.142   6.283  11.222
  207   1HB   PHE  29           HB2      PHE  29   3.058   4.383   9.100
  208   2HB   PHE  29           HB1      PHE  29   2.419   5.949   8.595
  209    HD1  PHE  29           HD2      PHE  29   4.671   4.594  11.282
  210    HD2  PHE  29           HD1      PHE  29   3.969   7.665   8.362
  211    HE1  PHE  29           HE2      PHE  29   6.816   5.672  11.901
  212    HE2  PHE  29           HE1      PHE  29   6.114   8.744   8.981
  213    HZ   PHE  29           HZ       PHE  29   7.538   7.748  10.751
  214    H    ASP  30           HN       ASP  30  -0.194   4.963  11.943
  215    HA   ASP  30           HA       ASP  30  -1.977   4.866   9.602
  216   1HB   ASP  30           HB2      ASP  30  -3.674   4.155  11.144
  217   2HB   ASP  30           HB1      ASP  30  -2.188   3.332  11.622
  218    H    ALA  31           HN       ALA  31  -4.281   6.049  10.454
  219    HA   ALA  31           HA       ALA  31  -3.605   8.809  11.302
  220   1HB   ALA  31           HB3      ALA  31  -3.487   8.717   8.792
  221   2HB   ALA  31           HB2      ALA  31  -5.181   8.227   8.778
  222   3HB   ALA  31           HB1      ALA  31  -4.727   9.814   9.399
  223    H    ASP  32           HN       ASP  32  -6.218   6.611  10.246
  224    HA   ASP  32           HA       ASP  32  -7.909   7.818  12.401
  225   1HB   ASP  32           HB2      ASP  32  -8.563   8.128   9.882
  226   2HB   ASP  32           HB1      ASP  32  -9.075   6.444   9.993
  227    H    GLY  33           HN       GLY  33  -6.263   5.787  13.159
  228   1HA   GLY  33           HA2      GLY  33  -6.202   3.576  13.966
  229   2HA   GLY  33           HA1      GLY  33  -7.903   3.870  14.332
  230    H    GLY  34           HN       GLY  34  -6.700   3.951  11.042
  231   1HA   GLY  34           HA2      GLY  34  -8.066   1.332  10.552
  232   2HA   GLY  34           HA1      GLY  34  -8.257   2.701   9.456
  233    H    GLY  35           HN       GLY  35  -5.392   3.479   9.817
  234   1HA   GLY  35           HA2      GLY  35  -3.215   2.603   9.202
  235   2HA   GLY  35           HA1      GLY  35  -4.014   1.188   8.516
  236    H    ASP  36           HN       ASP  36  -3.046   4.487   7.927
  237    HA   ASP  36           HA       ASP  36  -3.352   4.044   5.036
  238   1HB   ASP  36           HB2      ASP  36  -4.805   5.902   4.615
  239   2HB   ASP  36           HB1      ASP  36  -5.578   4.957   5.887
  240    H    ILE  37           HN       ILE  37  -2.678   6.321   3.944
  241    HA   ILE  37           HA       ILE  37  -0.873   7.983   5.470
  242    HB   ILE  37           HB       ILE  37   1.135   7.126   3.951
  243   1HG1  ILE  37          HG12      ILE  37  -0.523   4.617   4.368
  244   2HG1  ILE  37          HG11      ILE  37  -0.309   5.426   2.815
  245   1HG2  ILE  37          HG23      ILE  37   0.388   6.859   6.625
  246   2HG2  ILE  37          HG22      ILE  37   0.809   5.218   6.134
  247   3HG2  ILE  37          HG21      ILE  37   1.983   6.522   5.953
  248   1HD1  ILE  37          HD13      ILE  37   2.288   5.171   3.720
  249   2HD1  ILE  37          HD12      ILE  37   1.538   3.676   4.279
  250   3HD1  ILE  37          HD11      ILE  37   1.505   4.091   2.566
  251    H    SER  38           HN       SER  38  -0.410   9.835   4.298
  252    HA   SER  38           HA       SER  38  -1.672  10.054   1.643
  253   1HB   SER  38           HB2      SER  38  -0.383  12.034   3.531
  254   2HB   SER  38           HB1      SER  38  -0.853  12.482   1.893
  255    HG   SER  38           HG       SER  38  -2.481  11.524   4.006
  256    H    THR  39           HN       THR  39  -0.115  11.687   0.181
  257    HA   THR  39           HA       THR  39   2.105   9.962  -0.558
  258    HB   THR  39           HB       THR  39   2.333  11.304  -2.442
  259    HG1  THR  39           HG1      THR  39   1.865  13.511  -2.418
  260   1HG2  THR  39          HG21      THR  39  -0.209  10.632  -1.705
  261   2HG2  THR  39          HG23      THR  39  -0.381  12.368  -1.965
  262   3HG2  THR  39          HG22      THR  39   0.212  11.336  -3.266
  263    H    LYS  40           HN       LYS  40   1.730  12.334   1.800
  264    HA   LYS  40           HA       LYS  40   4.437  13.439   1.657
  265   1HB   LYS  40           HB2      LYS  40   2.672  14.802   2.645
  266   2HB   LYS  40           HB1      LYS  40   2.320  13.542   3.830
  267   1HG   LYS  40           HG2      LYS  40   4.773  13.765   4.557
  268   2HG   LYS  40           HG1      LYS  40   4.799  15.256   3.615
  269   1HD   LYS  40           HD2      LYS  40   2.809  16.046   4.935
  270   2HD   LYS  40           HD1      LYS  40   2.984  14.619   5.957
  271   1HE   LYS  40           HE2      LYS  40   5.408  15.369   6.323
  272   2HE   LYS  40           HE1      LYS  40   4.926  16.907   5.610
  273   1HZ   LYS  40           HZ1      LYS  40   3.153  17.039   7.291
  274   2HZ   LYS  40           HZ3      LYS  40   3.745  15.623   8.012
  275   3HZ   LYS  40           HZ2      LYS  40   4.706  17.024   7.979
  276    H    GLU  41           HN       GLU  41   2.748  11.382   4.064
  277    HA   GLU  41           HA       GLU  41   5.261  10.514   5.245
  278   1HB   GLU  41           HB2      GLU  41   2.370   9.718   5.563
  279   2HB   GLU  41           HB1      GLU  41   3.648   8.750   6.298
  280   1HG   GLU  41           HG2      GLU  41   4.391  10.555   7.649
  281   2HG   GLU  41           HG1      GLU  41   3.492  11.739   6.698
  282    H    LEU  42           HN       LEU  42   3.256   9.513   2.618
  283    HA   LEU  42           HA       LEU  42   4.301   6.786   2.462
  284   1HB   LEU  42           HB2      LEU  42   2.074   7.244   1.594
  285   2HB   LEU  42           HB1      LEU  42   2.704   8.497   0.530
  286    HG   LEU  42           HG       LEU  42   2.219   6.181  -0.504
  287   1HD1  LEU  42          HD11      LEU  42   4.197   8.150  -0.999
  288   2HD1  LEU  42          HD13      LEU  42   4.959   6.585  -1.278
  289   3HD1  LEU  42          HD12      LEU  42   3.491   7.020  -2.153
  290   1HD2  LEU  42          HD23      LEU  42   4.752   5.616   1.064
  291   2HD2  LEU  42          HD22      LEU  42   3.222   4.748   1.150
  292   3HD2  LEU  42          HD21      LEU  42   4.218   4.635  -0.300
  293    H    GLY  43           HN       GLY  43   4.940   9.915   0.945
  294   1HA   GLY  43           HA2      GLY  43   7.002   8.754  -0.808
  295   2HA   GLY  43           HA1      GLY  43   6.539  10.455  -0.740
  296    H    THR  44           HN       THR  44   6.781  10.074   2.354
  297    HA   THR  44           HA       THR  44   9.624  10.877   2.430
  298    HB   THR  44           HB       THR  44   7.413  10.900   4.500
  299    HG1  THR  44           HG1      THR  44   8.941  13.020   3.426
  300   1HG2  THR  44          HG23      THR  44  10.329  11.007   4.811
  301   2HG2  THR  44          HG22      THR  44   9.496  12.391   5.519
  302   3HG2  THR  44          HG21      THR  44   9.077  10.756   6.027
  303    H    VAL  45           HN       VAL  45   7.516   8.285   3.592
  304    HA   VAL  45           HA       VAL  45   9.309   6.998   5.362
  305    HB   VAL  45           HB       VAL  45   6.977   6.280   5.133
  306   1HG1  VAL  45          HG11      VAL  45   6.819   6.691   2.682
  307   2HG1  VAL  45          HG13      VAL  45   7.812   5.262   2.400
  308   3HG1  VAL  45          HG12      VAL  45   6.216   5.097   3.132
  309   1HG2  VAL  45          HG23      VAL  45   9.091   4.231   4.429
  310   2HG2  VAL  45          HG22      VAL  45   8.402   4.577   6.015
  311   3HG2  VAL  45          HG21      VAL  45   7.424   3.778   4.785
  312    H    MET  46           HN       MET  46   8.984   6.713   1.827
  313    HA   MET  46           HA       MET  46  11.316   4.901   1.725
  314   1HB   MET  46           HB2      MET  46   9.208   5.806  -0.175
  315   2HB   MET  46           HB1      MET  46  10.776   5.388  -0.869
  316   1HG   MET  46           HG2      MET  46  10.066   3.242  -0.797
  317   2HG   MET  46           HG1      MET  46  10.328   3.340   0.944
  318   1HE   MET  46           HE1      MET  46   8.244   4.211  -1.906
  319   2HE   MET  46           HE3      MET  46   6.574   3.771  -1.521
  320   3HE   MET  46           HE2      MET  46   7.216   5.333  -1.019
  321    H    ARG  47           HN       ARG  47  10.426   8.215   0.832
  322    HA   ARG  47           HA       ARG  47  13.072   8.773  -0.297
  323   1HB   ARG  47           HB2      ARG  47  10.804   9.879  -0.927
  324   2HB   ARG  47           HB1      ARG  47  11.056  10.862   0.515
  325   1HG   ARG  47           HG2      ARG  47  13.374  10.615  -1.323
  326   2HG   ARG  47           HG1      ARG  47  12.013  11.564  -1.914
  327   1HD   ARG  47           HD2      ARG  47  12.431  12.291   0.805
  328   2HD   ARG  47           HD1      ARG  47  14.002  12.318   0.008
  329    HE   ARG  47           HE       ARG  47  12.850  13.805  -1.738
  330   1HH1  ARG  47          HH11      ARG  47  10.708  13.208   0.750
  331   2HH1  ARG  47          HH12      ARG  47  10.401  14.868   1.134
  332   1HH2  ARG  47          HH21      ARG  47  12.911  16.084  -0.926
  333   2HH2  ARG  47          HH22      ARG  47  11.647  16.496   0.184
  334    H    MET  48           HN       MET  48  12.183   8.188   2.762
  335    HA   MET  48           HA       MET  48  12.944  10.328   4.381
  336   1HB   MET  48           HB2      MET  48  12.811   7.433   4.651
  337   2HB   MET  48           HB1      MET  48  14.153   8.101   5.580
  338   1HG   MET  48           HG2      MET  48  11.935   9.843   5.948
  339   2HG   MET  48           HG1      MET  48  11.347   8.196   6.181
  340   1HE   MET  48           HE2      MET  48  12.637   6.452   7.348
  341   2HE   MET  48           HE1      MET  48  13.222   6.704   8.991
  342   3HE   MET  48           HE3      MET  48  11.536   7.057   8.584
  343    H    LEU  49           HN       LEU  49  14.926   8.392   2.275
  344    HA   LEU  49           HA       LEU  49  17.439   9.325   3.488
  345   1HB   LEU  49           HB2      LEU  49  17.265   8.011   0.790
  346   2HB   LEU  49           HB1      LEU  49  18.524   7.868   2.016
  347    HG   LEU  49           HG       LEU  49  16.159   6.955   3.249
  348   1HD1  LEU  49          HD11      LEU  49  15.406   6.824   0.761
  349   2HD1  LEU  49          HD13      LEU  49  16.533   5.472   0.652
  350   3HD1  LEU  49          HD12      LEU  49  15.177   5.401   1.776
  351   1HD2  LEU  49          HD21      LEU  49  18.824   6.064   2.610
  352   2HD2  LEU  49          HD23      LEU  49  17.773   5.538   3.925
  353   3HD2  LEU  49          HD22      LEU  49  17.688   4.740   2.355
  354    H    GLY  50           HN       GLY  50  16.019   9.597   0.203
  355   1HA   GLY  50           HA2      GLY  50  15.824  12.185  -0.349
  356   2HA   GLY  50           HA1      GLY  50  17.578  12.098  -0.174
  357    H    GLN  51           HN       GLN  51  15.064  10.099  -1.773
  358    HA   GLN  51           HA       GLN  51  16.904   9.914  -4.111
  359   1HB   GLN  51           HB2      GLN  51  15.974   7.841  -2.797
  360   2HB   GLN  51           HB1      GLN  51  14.503   8.149  -3.717
  361   1HG   GLN  51           HG2      GLN  51  15.679   6.668  -5.105
  362   2HG   GLN  51           HG1      GLN  51  16.093   8.245  -5.778
  363   1HE2  GLN  51          HE22      GLN  51  19.526   7.779  -5.206
  364   2HE2  GLN  51          HE21      GLN  51  18.298   8.585  -6.058
  365    H    ASN  52           HN       ASN  52  14.243   8.855  -5.452
  366    HA   ASN  52           HA       ASN  52  13.513  11.510  -6.496
  367   1HB   ASN  52           HB2      ASN  52  13.979   9.045  -7.704
  368   2HB   ASN  52           HB1      ASN  52  12.236   9.285  -7.830
  369   1HD2  ASN  52          HD22      ASN  52  13.225  11.114 -10.762
  370   2HD2  ASN  52          HD21      ASN  52  12.714   9.586 -10.228
  371    HA   PRO  53           HA       PRO  53   9.327   9.606  -5.098
  372   1HB   PRO  53           HB2      PRO  53   9.402   8.729  -2.496
  373   2HB   PRO  53           HB1      PRO  53   9.567   7.676  -3.911
  374   1HG   PRO  53           HG2      PRO  53  11.667   8.637  -2.025
  375   2HG   PRO  53           HG1      PRO  53  11.605   7.141  -2.971
  376   1HD   PRO  53           HD2      PRO  53  13.122   9.402  -3.619
  377   2HD   PRO  53           HD1      PRO  53  12.703   8.094  -4.747
  378    H    THR  54           HN       THR  54   8.764  11.781  -5.105
  379    HA   THR  54           HA       THR  54   9.227  13.384  -2.629
  380    HB   THR  54           HB       THR  54   9.139  15.266  -3.940
  381    HG1  THR  54           HG1      THR  54   7.614  15.574  -5.465
  382   1HG2  THR  54          HG22      THR  54  10.574  13.380  -5.078
  383   2HG2  THR  54          HG21      THR  54   9.347  13.524  -6.339
  384   3HG2  THR  54          HG23      THR  54  10.309  14.929  -5.882
  385    H    LYS  55           HN       LYS  55   7.004  15.113  -3.196
  386    HA   LYS  55           HA       LYS  55   4.947  13.387  -2.062
  387   1HB   LYS  55           HB2      LYS  55   3.995  15.310  -1.197
  388   2HB   LYS  55           HB1      LYS  55   5.688  15.783  -1.289
  389   1HG   LYS  55           HG2      LYS  55   5.311  16.973  -3.363
  390   2HG   LYS  55           HG1      LYS  55   3.655  16.372  -3.460
  391   1HD   LYS  55           HD2      LYS  55   4.475  17.869  -1.003
  392   2HD   LYS  55           HD1      LYS  55   4.167  18.786  -2.477
  393   1HE   LYS  55           HE2      LYS  55   2.172  16.702  -1.709
  394   2HE   LYS  55           HE1      LYS  55   2.200  18.192  -0.766
  395   1HZ   LYS  55           HZ1      LYS  55   2.057  18.106  -3.729
  396   2HZ   LYS  55           HZ3      LYS  55   0.701  18.256  -2.721
  397   3HZ   LYS  55           HZ2      LYS  55   1.887  19.472  -2.733
  398    H    GLU  56           HN       GLU  56   5.418  15.518  -4.844
  399    HA   GLU  56           HA       GLU  56   2.779  14.946  -5.889
  400   1HB   GLU  56           HB2      GLU  56   3.601  16.125  -7.928
  401   2HB   GLU  56           HB1      GLU  56   3.878  17.057  -6.456
  402   1HG   GLU  56           HG2      GLU  56   6.049  17.173  -7.047
  403   2HG   GLU  56           HG1      GLU  56   6.155  15.444  -6.718
  404    H    GLU  57           HN       GLU  57   6.015  13.637  -6.319
  405    HA   GLU  57           HA       GLU  57   5.443  12.074  -8.667
  406   1HB   GLU  57           HB2      GLU  57   7.748  12.533  -8.000
  407   2HB   GLU  57           HB1      GLU  57   7.502  11.686  -6.472
  408   1HG   GLU  57           HG2      GLU  57   8.384   9.924  -7.634
  409   2HG   GLU  57           HG1      GLU  57   6.724   9.752  -8.203
  410    H    LEU  58           HN       LEU  58   4.986  11.563  -5.219
  411    HA   LEU  58           HA       LEU  58   4.351   8.731  -5.488
  412   1HB   LEU  58           HB2      LEU  58   4.272  10.767  -3.298
  413   2HB   LEU  58           HB1      LEU  58   3.289   9.315  -3.111
  414    HG   LEU  58           HG       LEU  58   5.478   8.918  -2.121
  415   1HD1  LEU  58          HD13      LEU  58   4.249   7.253  -3.854
  416   2HD1  LEU  58          HD12      LEU  58   5.792   7.445  -4.686
  417   3HD1  LEU  58          HD11      LEU  58   5.752   6.831  -3.034
  418   1HD2  LEU  58          HD21      LEU  58   6.354  10.513  -4.309
  419   2HD2  LEU  58          HD23      LEU  58   7.330   9.860  -2.993
  420   3HD2  LEU  58          HD22      LEU  58   7.123   8.934  -4.480
  421    H    ASP  59           HN       ASP  59   2.710  11.594  -6.227
  422    HA   ASP  59           HA       ASP  59   0.023  10.800  -5.521
  423   1HB   ASP  59           HB2      ASP  59   1.243  13.096  -6.556
  424   2HB   ASP  59           HB1      ASP  59   0.182  12.540  -7.851
  425    H    ALA  60           HN       ALA  60   2.098  10.283  -8.321
  426    HA   ALA  60           HA       ALA  60   0.148   9.400 -10.178
  427   1HB   ALA  60           HB2      ALA  60   3.053   8.687  -9.768
  428   2HB   ALA  60           HB1      ALA  60   2.101   7.957 -11.061
  429   3HB   ALA  60           HB3      ALA  60   2.342   9.704 -11.021
  430    H    ILE  61           HN       ILE  61   2.086   7.441  -7.882
  431    HA   ILE  61           HA       ILE  61   0.714   4.980  -8.454
  432    HB   ILE  61           HB       ILE  61   1.831   5.521  -5.725
  433   1HG1  ILE  61          HG12      ILE  61   4.011   4.742  -7.284
  434   2HG1  ILE  61          HG11      ILE  61   3.235   6.019  -8.226
  435   1HG2  ILE  61          HG21      ILE  61   0.921   3.288  -6.541
  436   2HG2  ILE  61          HG23      ILE  61   2.305   3.226  -7.630
  437   3HG2  ILE  61          HG22      ILE  61   2.558   3.257  -5.886
  438   1HD1  ILE  61          HD12      ILE  61   3.090   7.165  -5.812
  439   2HD1  ILE  61          HD11      ILE  61   4.508   6.154  -5.535
  440   3HD1  ILE  61          HD13      ILE  61   4.512   7.339  -6.841
  441    H    ILE  62           HN       ILE  62   0.256   7.465  -5.947
  442    HA   ILE  62           HA       ILE  62  -1.819   6.188  -4.520
  443    HB   ILE  62           HB       ILE  62  -1.205   9.107  -5.010
  444   1HG1  ILE  62          HG12      ILE  62   0.306   7.618  -3.598
  445   2HG1  ILE  62          HG11      ILE  62  -0.336   9.037  -2.771
  446   1HG2  ILE  62          HG21      ILE  62  -3.559   7.835  -3.716
  447   2HG2  ILE  62          HG23      ILE  62  -2.803   9.158  -2.828
  448   3HG2  ILE  62          HG22      ILE  62  -3.408   9.426  -4.462
  449   1HD1  ILE  62          HD13      ILE  62  -1.659   6.317  -2.649
  450   2HD1  ILE  62          HD12      ILE  62  -0.487   6.873  -1.454
  451   3HD1  ILE  62          HD11      ILE  62  -2.014   7.731  -1.656
  452    H    GLU  63           HN       GLU  63  -1.805   7.456  -7.705
  453    HA   GLU  63           HA       GLU  63  -4.694   7.952  -7.826
  454   1HB   GLU  63           HB2      GLU  63  -2.963   9.186  -9.216
  455   2HB   GLU  63           HB1      GLU  63  -2.756   7.697 -10.139
  456   1HG   GLU  63           HG2      GLU  63  -5.116   7.712 -10.766
  457   2HG   GLU  63           HG1      GLU  63  -5.399   9.135  -9.764
  458    H    GLU  64           HN       GLU  64  -2.429   5.409  -8.819
  459    HA   GLU  64           HA       GLU  64  -4.632   3.834 -10.002
  460   1HB   GLU  64           HB2      GLU  64  -2.924   2.300 -10.715
  461   2HB   GLU  64           HB1      GLU  64  -2.293   3.925 -10.991
  462   1HG   GLU  64           HG2      GLU  64  -1.524   3.429  -8.389
  463   2HG   GLU  64           HG1      GLU  64  -1.350   1.844  -9.145
  464    H    VAL  65           HN       VAL  65  -4.407   4.460  -7.028
  465    HA   VAL  65           HA       VAL  65  -4.895   1.682  -6.137
  466    HB   VAL  65           HB       VAL  65  -3.470   2.153  -4.064
  467   1HG1  VAL  65          HG11      VAL  65  -2.852   1.026  -6.524
  468   2HG1  VAL  65          HG13      VAL  65  -1.509   2.130  -6.238
  469   3HG1  VAL  65          HG12      VAL  65  -1.887   0.877  -5.055
  470   1HG2  VAL  65          HG23      VAL  65  -2.980   4.567  -5.691
  471   2HG2  VAL  65          HG22      VAL  65  -2.786   4.322  -3.956
  472   3HG2  VAL  65          HG21      VAL  65  -1.518   3.803  -5.067
  473    H    ASP  66           HN       ASP  66  -4.675   5.084  -5.049
  474    HA   ASP  66           HA       ASP  66  -6.787   4.664  -3.064
  475   1HB   ASP  66           HB2      ASP  66  -4.798   6.343  -2.960
  476   2HB   ASP  66           HB1      ASP  66  -5.806   7.359  -3.992
  477    H    GLU  67           HN       GLU  67  -8.520   3.951  -4.487
  478    HA   GLU  67           HA       GLU  67  -9.464   5.598  -6.666
  479   1HB   GLU  67           HB2      GLU  67 -10.036   3.237  -6.607
  480   2HB   GLU  67           HB1      GLU  67 -10.839   3.433  -5.048
  481   1HG   GLU  67           HG2      GLU  67 -12.629   4.635  -5.976
  482   2HG   GLU  67           HG1      GLU  67 -11.712   5.072  -7.418
  483    H    ASP  68           HN       ASP  68  -9.987   5.586  -3.213
  484    HA   ASP  68           HA       ASP  68 -12.440   6.920  -2.977
  485   1HB   ASP  68           HB2      ASP  68 -10.655   6.151  -1.169
  486   2HB   ASP  68           HB1      ASP  68 -10.150   7.837  -1.278
  487    H    GLY  69           HN       GLY  69  -9.239   8.541  -3.062
  488   1HA   GLY  69           HA2      GLY  69  -8.971  10.379  -4.759
  489   2HA   GLY  69           HA1      GLY  69 -10.617  10.866  -4.349
  490    H    SER  70           HN       SER  70  -8.395   9.777  -1.876
  491    HA   SER  70           HA       SER  70  -8.348  12.574  -0.822
  492   1HB   SER  70           HB2      SER  70  -7.663  11.143   1.334
  493   2HB   SER  70           HB1      SER  70  -9.347  11.409   0.895
  494    HG   SER  70           HG       SER  70  -9.517   9.381   0.295
  495    H    GLY  71           HN       GLY  71  -6.435  10.520  -2.500
  496   1HA   GLY  71           HA2      GLY  71  -4.122  10.514  -2.899
  497   2HA   GLY  71           HA1      GLY  71  -4.021  11.960  -1.895
  498    H    THR  72           HN       THR  72  -5.177   8.709  -1.007
  499    HA   THR  72           HA       THR  72  -2.783   8.326   0.691
  500    HB   THR  72           HB       THR  72  -3.798   8.669   2.680
  501    HG1  THR  72           HG1      THR  72  -5.917   7.690   3.047
  502   1HG2  THR  72          HG22      THR  72  -6.155   9.563   0.996
  503   2HG2  THR  72          HG21      THR  72  -5.910   9.949   2.700
  504   3HG2  THR  72          HG23      THR  72  -4.793  10.574   1.485
  505    H    ILE  73           HN       ILE  73  -3.641   6.092   2.098
  506    HA   ILE  73           HA       ILE  73  -4.906   4.241   0.191
  507    HB   ILE  73           HB       ILE  73  -2.248   3.336   1.205
  508   1HG1  ILE  73          HG12      ILE  73  -2.584   5.156  -1.205
  509   2HG1  ILE  73          HG11      ILE  73  -1.802   5.613   0.309
  510   1HG2  ILE  73          HG21      ILE  73  -4.106   2.822  -1.086
  511   2HG2  ILE  73          HG23      ILE  73  -2.388   2.490  -1.313
  512   3HG2  ILE  73          HG22      ILE  73  -3.283   1.673  -0.031
  513   1HD1  ILE  73          HD12      ILE  73  -0.272   3.577  -0.067
  514   2HD1  ILE  73          HD11      ILE  73  -0.891   3.570  -1.718
  515   3HD1  ILE  73          HD13      ILE  73  -0.014   4.974  -1.112
  516    H    ASP  74           HN       ASP  74  -4.613   1.873   1.311
  517    HA   ASP  74           HA       ASP  74  -4.599   2.005   4.239
  518   1HB   ASP  74           HB2      ASP  74  -6.890   2.816   3.590
  519   2HB   ASP  74           HB1      ASP  74  -7.167   1.256   2.814
  520    H    PHE  75           HN       PHE  75  -5.175  -0.248   5.136
  521    HA   PHE  75           HA       PHE  75  -3.531  -2.220   3.963
  522   1HB   PHE  75           HB2      PHE  75  -5.600  -2.152   6.081
  523   2HB   PHE  75           HB1      PHE  75  -5.316  -3.735   5.358
  524    HD1  PHE  75           HD2      PHE  75  -3.797  -0.960   7.260
  525    HD2  PHE  75           HD1      PHE  75  -3.183  -4.871   5.595
  526    HE1  PHE  75           HE2      PHE  75  -1.715  -1.199   8.587
  527    HE2  PHE  75           HE1      PHE  75  -1.102  -5.110   6.921
  528    HZ   PHE  75           HZ       PHE  75  -0.368  -3.274   8.419
  529    H    GLU  76           HN       GLU  76  -6.703  -1.212   3.072
  530    HA   GLU  76           HA       GLU  76  -7.527  -3.710   1.837
  531   1HB   GLU  76           HB2      GLU  76  -9.049  -1.792   2.604
  532   2HB   GLU  76           HB1      GLU  76  -8.556  -0.959   1.130
  533   1HG   GLU  76           HG2      GLU  76 -10.507  -2.088   0.462
  534   2HG   GLU  76           HG1      GLU  76  -9.222  -3.176  -0.067
  535    H    GLU  77           HN       GLU  77  -6.619  -0.555   0.377
  536    HA   GLU  77           HA       GLU  77  -6.117  -1.888  -2.189
  537   1HB   GLU  77           HB2      GLU  77  -6.297   0.901  -1.207
  538   2HB   GLU  77           HB1      GLU  77  -5.180   0.637  -2.547
  539   1HG   GLU  77           HG2      GLU  77  -6.851   0.131  -4.018
  540   2HG   GLU  77           HG1      GLU  77  -7.811  -0.703  -2.795
  541    H    PHE  78           HN       PHE  78  -4.143   0.019   0.106
  542    HA   PHE  78           HA       PHE  78  -1.646  -0.115  -1.027
  543   1HB   PHE  78           HB2      PHE  78  -2.327   0.763   1.301
  544   2HB   PHE  78           HB1      PHE  78  -2.008  -0.876   1.870
  545    HD1  PHE  78           HD2      PHE  78  -0.290   1.202  -0.732
  546    HD2  PHE  78           HD1      PHE  78   0.021  -0.826   3.042
  547    HE1  PHE  78           HE2      PHE  78   2.140   1.695  -0.666
  548    HE2  PHE  78           HE1      PHE  78   2.450  -0.332   3.107
  549    HZ   PHE  78           HZ       PHE  78   3.509   0.928   1.254
  550    H    LEU  79           HN       LEU  79  -3.380  -2.817   0.452
  551    HA   LEU  79           HA       LEU  79  -1.127  -4.626   0.419
  552   1HB   LEU  79           HB2      LEU  79  -3.942  -4.730   1.125
  553   2HB   LEU  79           HB1      LEU  79  -3.459  -6.171   0.229
  554    HG   LEU  79           HG       LEU  79  -1.539  -6.468   1.776
  555   1HD1  LEU  79          HD11      LEU  79  -1.702  -3.875   2.331
  556   2HD1  LEU  79          HD13      LEU  79  -2.748  -4.450   3.629
  557   3HD1  LEU  79          HD12      LEU  79  -1.081  -5.014   3.524
  558   1HD2  LEU  79          HD22      LEU  79  -3.740  -7.561   2.217
  559   2HD2  LEU  79          HD21      LEU  79  -2.854  -7.212   3.702
  560   3HD2  LEU  79          HD23      LEU  79  -4.198  -6.180   3.214
  561    H    VAL  80           HN       VAL  80  -3.943  -4.238  -1.763
  562    HA   VAL  80           HA       VAL  80  -3.162  -6.247  -3.619
  563    HB   VAL  80           HB       VAL  80  -5.399  -5.107  -3.561
  564   1HG1  VAL  80          HG12      VAL  80  -3.679  -2.830  -4.470
  565   2HG1  VAL  80          HG11      VAL  80  -5.310  -2.959  -5.124
  566   3HG1  VAL  80          HG13      VAL  80  -5.065  -2.823  -3.384
  567   1HG2  VAL  80          HG22      VAL  80  -4.342  -6.378  -5.573
  568   2HG2  VAL  80          HG21      VAL  80  -5.771  -5.388  -5.871
  569   3HG2  VAL  80          HG23      VAL  80  -4.172  -4.778  -6.295
  570    H    MET  81           HN       MET  81  -2.004  -2.985  -3.141
  571    HA   MET  81           HA       MET  81  -0.739  -2.729  -5.735
  572   1HB   MET  81           HB2      MET  81  -1.320  -0.823  -4.143
  573   2HB   MET  81           HB1      MET  81   0.081  -1.312  -3.189
  574   1HG   MET  81           HG2      MET  81   0.707  -1.103  -6.033
  575   2HG   MET  81           HG1      MET  81   0.116   0.420  -5.368
  576   1HE   MET  81           HE3      MET  81   0.832   1.441  -3.293
  577   2HE   MET  81           HE2      MET  81   1.104   0.080  -2.208
  578   3HE   MET  81           HE1      MET  81   2.391   1.251  -2.482
  579    H    MET  82           HN       MET  82   0.425  -3.672  -2.494
  580    HA   MET  82           HA       MET  82   3.149  -4.083  -3.275
  581   1HB   MET  82           HB2      MET  82   1.610  -4.364  -0.915
  582   2HB   MET  82           HB1      MET  82   2.354  -5.936  -1.213
  583   1HG   MET  82           HG2      MET  82   4.080  -3.535  -1.575
  584   2HG   MET  82           HG1      MET  82   3.646  -3.967   0.080
  585   1HE   MET  82           HE2      MET  82   6.137  -3.603  -1.362
  586   2HE   MET  82           HE1      MET  82   7.220  -4.831  -0.709
  587   3HE   MET  82           HE3      MET  82   6.728  -4.893  -2.408
  588    H    VAL  83           HN       VAL  83   0.336  -6.261  -3.198
  589    HA   VAL  83           HA       VAL  83   1.688  -8.661  -3.875
  590    HB   VAL  83           HB       VAL  83  -1.114  -7.684  -4.456
  591   1HG1  VAL  83          HG13      VAL  83   0.328 -10.090  -5.431
  592   2HG1  VAL  83          HG12      VAL  83  -1.278 -10.376  -4.758
  593   3HG1  VAL  83          HG11      VAL  83  -1.075  -9.266  -6.112
  594   1HG2  VAL  83          HG21      VAL  83   0.196  -8.756  -2.186
  595   2HG2  VAL  83          HG23      VAL  83  -1.533  -8.475  -2.385
  596   3HG2  VAL  83          HG22      VAL  83  -0.838 -10.040  -2.808
  597    H    ARG  84           HN       ARG  84   0.624  -5.957  -5.878
  598    HA   ARG  84           HA       ARG  84   0.773  -7.048  -8.443
  599   1HB   ARG  84           HB2      ARG  84   0.832  -4.435  -7.312
  600   2HB   ARG  84           HB1      ARG  84   2.151  -4.531  -8.479
  601   1HG   ARG  84           HG2      ARG  84   0.354  -3.905  -9.838
  602   2HG   ARG  84           HG1      ARG  84   0.350  -5.660 -10.016
  603   1HD   ARG  84           HD2      ARG  84  -1.455  -5.916  -8.485
  604   2HD   ARG  84           HD1      ARG  84  -1.291  -4.261  -7.898
  605    HE   ARG  84           HE       ARG  84  -2.999  -4.947  -9.980
  606   1HH1  ARG  84          HH21      ARG  84  -1.594  -4.322 -12.205
  607   2HH1  ARG  84          HH22      ARG  84  -1.443  -2.597 -12.276
  608   1HH2  ARG  84          HH11      ARG  84  -2.213  -2.127  -8.928
  609   2HH2  ARG  84          HH12      ARG  84  -1.794  -1.355 -10.421
  610    H    GLN  85           HN       GLN  85   3.529  -5.085  -7.361
  611    HA   GLN  85           HA       GLN  85   5.331  -6.937  -8.793
  612   1HB   GLN  85           HB2      GLN  85   7.049  -5.208  -8.376
  613   2HB   GLN  85           HB1      GLN  85   5.614  -4.510  -9.128
  614   1HG   GLN  85           HG2      GLN  85   5.401  -4.543  -6.220
  615   2HG   GLN  85           HG1      GLN  85   6.815  -3.639  -6.765
  616   1HE2  GLN  85          HE22      GLN  85   3.527  -1.606  -6.849
  617   2HE2  GLN  85          HE21      GLN  85   4.058  -2.728  -5.690
  618    H    MET  86           HN       MET  86   4.846  -8.632  -7.093
  619    HA   MET  86           HA       MET  86   5.887  -8.216  -4.407
  620   1HB   MET  86           HB2      MET  86   4.760 -10.521  -5.951
  621   2HB   MET  86           HB1      MET  86   5.694 -10.862  -4.495
  622   1HG   MET  86           HG2      MET  86   3.606  -8.727  -4.350
  623   2HG   MET  86           HG1      MET  86   3.072 -10.409  -4.368
  624   1HE   MET  86           HE1      MET  86   3.320  -7.736  -2.467
  625   2HE   MET  86           HE3      MET  86   2.278  -8.918  -1.664
  626   3HE   MET  86           HE2      MET  86   3.661  -8.236  -0.812
  627    H    LYS  87           HN       LYS  87   8.000  -8.347  -3.835
  628    HA   LYS  87           HA       LYS  87  10.030  -9.048  -5.779
  629   1HB   LYS  87           HB2      LYS  87  10.336  -8.712  -2.781
  630   2HB   LYS  87           HB1      LYS  87  11.615  -8.606  -3.990
  631   1HG   LYS  87           HG2      LYS  87   9.904  -6.771  -4.992
  632   2HG   LYS  87           HG1      LYS  87   9.518  -6.625  -3.278
  633   1HD   LYS  87           HD2      LYS  87  11.327  -5.072  -3.891
  634   2HD   LYS  87           HD1      LYS  87  11.918  -6.301  -2.771
  635   1HE   LYS  87           HE2      LYS  87  12.238  -7.395  -5.353
  636   2HE   LYS  87           HE1      LYS  87  12.805  -5.728  -5.462
  637   1HZ   LYS  87           HZ2      LYS  87  13.646  -7.087  -3.069
  638   2HZ   LYS  87           HZ1      LYS  87  14.239  -7.801  -4.493
  639   3HZ   LYS  87           HZ3      LYS  87  14.554  -6.166  -4.171
  640    H    GLU  88           HN       GLU  88   8.352 -10.756  -3.221
  641    HA   GLU  88           HA       GLU  88  10.209 -12.949  -2.995
  642   1HB   GLU  88           HB2      GLU  88   7.249 -12.730  -2.380
  643   2HB   GLU  88           HB1      GLU  88   8.223 -14.151  -1.999
  644   1HG   GLU  88           HG2      GLU  88   9.721 -12.007  -1.016
  645   2HG   GLU  88           HG1      GLU  88   8.057 -11.606  -0.593
  646    H    ASP  89           HN       ASP  89   8.208 -11.991  -5.529
  647    HA   ASP  89           HA       ASP  89   7.713 -13.043  -7.571
  648   1HB   ASP  89           HB2      ASP  89   9.966 -14.478  -6.507
  649   2HB   ASP  89           HB1      ASP  89   8.861 -15.622  -7.270
  650    H    ALA  90           HN       ALA  90   5.773 -13.153  -5.622
  651    HA   ALA  90           HA       ALA  90   4.875 -15.931  -5.289
  652   1HB   ALA  90           HB3      ALA  90   4.500 -14.124  -3.560
  653   2HB   ALA  90           HB2      ALA  90   3.360 -13.379  -4.680
  654   3HB   ALA  90           HB1      ALA  90   3.039 -14.988  -4.037
   
  No H/Q in entry =         654
  Start of MODEL   29
    1   1H    ALA   1           HT2      ALA   1 -15.895  -4.791  -9.340
    2   2H    ALA   1           HT1      ALA   1 -14.397  -5.517  -9.682
    3   3H    ALA   1           HT3      ALA   1 -15.822  -6.179 -10.318
    4    HA   ALA   1           HA       ALA   1 -16.517  -7.028  -8.296
    5   1HB   ALA   1           HB2      ALA   1 -13.582  -7.249  -8.807
    6   2HB   ALA   1           HB1      ALA   1 -14.198  -7.887  -7.282
    7   3HB   ALA   1           HB3      ALA   1 -14.820  -8.505  -8.812
    8    H    SER   2           HN       SER   2 -14.617  -4.188  -8.062
    9    HA   SER   2           HA       SER   2 -14.554  -2.600  -6.319
   10   1HB   SER   2           HB2      SER   2 -16.871  -3.702  -5.798
   11   2HB   SER   2           HB1      SER   2 -15.994  -4.529  -4.512
   12    HG   SER   2           HG       SER   2 -16.975  -2.424  -3.989
   13    H    MET   3           HN       MET   3 -14.313  -3.295  -3.491
   14    HA   MET   3           HA       MET   3 -11.533  -4.288  -3.574
   15   1HB   MET   3           HB2      MET   3 -13.087  -3.360  -1.148
   16   2HB   MET   3           HB1      MET   3 -11.335  -3.439  -1.343
   17   1HG   MET   3           HG2      MET   3 -12.670  -1.825  -3.403
   18   2HG   MET   3           HG1      MET   3 -12.870  -1.189  -1.772
   19   1HE   MET   3           HE2      MET   3 -10.868  -1.713  -4.760
   20   2HE   MET   3           HE1      MET   3  -9.168  -1.464  -4.365
   21   3HE   MET   3           HE3      MET   3  -9.971  -2.977  -3.923
   22    H    THR   4           HN       THR   4 -14.154  -5.961  -3.797
   23    HA   THR   4           HA       THR   4 -13.983  -7.686  -1.431
   24    HB   THR   4           HB       THR   4 -15.540  -7.894  -4.021
   25    HG1  THR   4           HG1      THR   4 -16.653  -7.723  -1.472
   26   1HG2  THR   4          HG23      THR   4 -14.998  -9.855  -1.883
   27   2HG2  THR   4          HG22      THR   4 -16.703  -9.655  -2.289
   28   3HG2  THR   4          HG21      THR   4 -15.546 -10.115  -3.539
   29    H    ASP   5           HN       ASP   5 -14.122  -9.003  -4.704
   30    HA   ASP   5           HA       ASP   5 -12.326 -11.119  -4.173
   31   1HB   ASP   5           HB2      ASP   5 -12.811  -9.757  -6.843
   32   2HB   ASP   5           HB1      ASP   5 -12.148 -11.375  -6.611
   33    H    GLN   6           HN       GLN   6 -11.738  -7.783  -4.754
   34    HA   GLN   6           HA       GLN   6  -9.090  -7.860  -5.795
   35   1HB   GLN   6           HB2      GLN   6 -10.816  -5.877  -5.259
   36   2HB   GLN   6           HB1      GLN   6  -9.815  -5.754  -3.811
   37   1HG   GLN   6           HG2      GLN   6  -7.941  -5.115  -4.991
   38   2HG   GLN   6           HG1      GLN   6  -8.407  -6.026  -6.427
   39   1HE2  GLN   6          HE22      GLN   6  -8.900  -2.401  -7.180
   40   2HE2  GLN   6          HE21      GLN   6  -7.569  -3.369  -6.767
   41    H    GLN   7           HN       GLN   7 -10.243  -7.757  -2.408
   42    HA   GLN   7           HA       GLN   7  -7.502  -8.037  -1.397
   43   1HB   GLN   7           HB2      GLN   7  -8.568  -8.062   0.823
   44   2HB   GLN   7           HB1      GLN   7  -9.187  -6.722  -0.144
   45   1HG   GLN   7           HG2      GLN   7 -11.120  -8.168  -0.806
   46   2HG   GLN   7           HG1      GLN   7 -10.537  -9.397   0.314
   47   1HE2  GLN   7          HE22      GLN   7 -13.002  -6.837   1.860
   48   2HE2  GLN   7          HE21      GLN   7 -13.015  -7.506   0.302
   49    H    ALA   8           HN       ALA   8  -9.873 -10.152  -2.574
   50    HA   ALA   8           HA       ALA   8  -9.078 -12.408  -0.843
   51   1HB   ALA   8           HB2      ALA   8 -11.306 -11.791  -2.581
   52   2HB   ALA   8           HB1      ALA   8 -10.612 -13.354  -3.015
   53   3HB   ALA   8           HB3      ALA   8 -11.169 -13.062  -1.367
   54    H    GLU   9           HN       GLU   9  -8.132 -10.987  -3.822
   55    HA   GLU   9           HA       GLU   9  -7.023 -13.455  -4.955
   56   1HB   GLU   9           HB2      GLU   9  -7.429 -10.692  -5.821
   57   2HB   GLU   9           HB1      GLU   9  -5.846 -11.315  -6.289
   58   1HG   GLU   9           HG2      GLU   9  -8.213 -13.092  -6.692
   59   2HG   GLU   9           HG1      GLU   9  -8.003 -11.738  -7.802
   60    H    ALA  10           HN       ALA  10  -5.443 -10.348  -4.135
   61    HA   ALA  10           HA       ALA  10  -2.825 -11.411  -3.957
   62   1HB   ALA  10           HB2      ALA  10  -4.177  -8.972  -2.852
   63   2HB   ALA  10           HB1      ALA  10  -2.547  -9.368  -2.307
   64   3HB   ALA  10           HB3      ALA  10  -2.860  -9.084  -4.019
   65    H    ARG  11           HN       ARG  11  -5.198 -10.832  -1.346
   66    HA   ARG  11           HA       ARG  11  -3.647 -11.725   0.824
   67   1HB   ARG  11           HB2      ARG  11  -6.007 -10.717   0.851
   68   2HB   ARG  11           HB1      ARG  11  -6.591 -12.352   0.538
   69   1HG   ARG  11           HG2      ARG  11  -5.871 -13.152   2.604
   70   2HG   ARG  11           HG1      ARG  11  -4.640 -11.900   2.773
   71   1HD   ARG  11           HD2      ARG  11  -6.153 -10.942   4.183
   72   2HD   ARG  11           HD1      ARG  11  -6.903 -10.379   2.689
   73    HE   ARG  11           HE       ARG  11  -7.972 -12.929   3.157
   74   1HH1  ARG  11          HH21      ARG  11  -8.118  -9.686   4.235
   75   2HH1  ARG  11          HH22      ARG  11  -9.461  -9.946   5.297
   76   1HH2  ARG  11          HH11      ARG  11  -9.565 -13.370   4.756
   77   2HH2  ARG  11          HH12      ARG  11 -10.281 -12.032   5.592
   78    H    ALA  12           HN       ALA  12  -5.176 -13.580  -1.720
   79    HA   ALA  12           HA       ALA  12  -5.365 -16.118  -0.538
   80   1HB   ALA  12           HB3      ALA  12  -6.104 -15.615  -2.846
   81   2HB   ALA  12           HB2      ALA  12  -4.418 -15.486  -3.349
   82   3HB   ALA  12           HB1      ALA  12  -5.059 -17.035  -2.799
   83    H    PHE  13           HN       PHE  13  -2.483 -14.539  -1.927
   84    HA   PHE  13           HA       PHE  13  -0.819 -16.862  -1.207
   85   1HB   PHE  13           HB2      PHE  13   0.335 -14.234  -2.076
   86   2HB   PHE  13           HB1      PHE  13   0.873 -15.870  -2.455
   87    HD1  PHE  13           HD1      PHE  13  -1.632 -17.147  -3.351
   88    HD2  PHE  13           HD2      PHE  13  -0.079 -13.226  -4.165
   89    HE1  PHE  13           HE1      PHE  13  -2.916 -17.079  -5.473
   90    HE2  PHE  13           HE2      PHE  13  -1.361 -13.159  -6.286
   91    HZ   PHE  13           HZ       PHE  13  -2.780 -15.084  -6.941
   92    H    LEU  14           HN       LEU  14  -1.537 -13.637   0.008
   93    HA   LEU  14           HA       LEU  14   0.615 -13.763   2.007
   94   1HB   LEU  14           HB2      LEU  14  -1.674 -11.793   1.972
   95   2HB   LEU  14           HB1      LEU  14  -0.052 -11.573   2.629
   96    HG   LEU  14           HG       LEU  14  -0.774 -11.864  -0.301
   97   1HD1  LEU  14          HD13      LEU  14  -0.411  -9.596   1.510
   98   2HD1  LEU  14          HD12      LEU  14   0.651  -9.514   0.106
   99   3HD1  LEU  14          HD11      LEU  14  -1.094  -9.634  -0.115
  100   1HD2  LEU  14          HD23      LEU  14   1.860 -11.760   1.170
  101   2HD2  LEU  14          HD22      LEU  14   1.338 -12.908  -0.063
  102   3HD2  LEU  14          HD21      LEU  14   1.731 -11.249  -0.513
  103    H    SER  15           HN       SER  15  -0.147 -15.798   3.001
  104    HA   SER  15           HA       SER  15  -2.609 -16.361   4.128
  105   1HB   SER  15           HB2      SER  15   0.124 -16.802   5.366
  106   2HB   SER  15           HB1      SER  15  -1.359 -17.560   5.940
  107    HG   SER  15           HG       SER  15  -1.579 -18.532   3.911
  108    H    GLU  16           HN       GLU  16  -3.233 -16.181   6.520
  109    HA   GLU  16           HA       GLU  16  -3.465 -13.427   7.246
  110   1HB   GLU  16           HB2      GLU  16  -5.011 -15.296   7.962
  111   2HB   GLU  16           HB1      GLU  16  -3.762 -15.807   9.099
  112   1HG   GLU  16           HG2      GLU  16  -3.978 -13.072   9.557
  113   2HG   GLU  16           HG1      GLU  16  -5.646 -13.582   9.295
  114    H    GLU  17           HN       GLU  17  -1.048 -15.840   7.963
  115    HA   GLU  17           HA       GLU  17   0.093 -14.483  10.254
  116   1HB   GLU  17           HB2      GLU  17   0.395 -16.957   9.430
  117   2HB   GLU  17           HB1      GLU  17   1.687 -16.276   8.440
  118   1HG   GLU  17           HG2      GLU  17   2.387 -15.124  10.718
  119   2HG   GLU  17           HG1      GLU  17   1.483 -16.464  11.424
  120    H    MET  18           HN       MET  18   0.633 -14.358   6.762
  121    HA   MET  18           HA       MET  18   3.057 -12.835   6.833
  122   1HB   MET  18           HB2      MET  18   2.053 -14.018   4.818
  123   2HB   MET  18           HB1      MET  18   0.921 -12.670   4.693
  124   1HG   MET  18           HG2      MET  18   3.731 -11.842   4.986
  125   2HG   MET  18           HG1      MET  18   3.402 -12.743   3.506
  126   1HE   MET  18           HE3      MET  18   4.559 -10.406   3.359
  127   2HE   MET  18           HE2      MET  18   3.728 -10.020   1.854
  128   3HE   MET  18           HE1      MET  18   3.709  -8.866   3.185
  129    H    ILE  19           HN       ILE  19  -0.329 -11.749   6.349
  130    HA   ILE  19           HA       ILE  19   0.289  -8.958   6.428
  131    HB   ILE  19           HB       ILE  19  -2.321 -10.144   7.378
  132   1HG1  ILE  19          HG12      ILE  19  -2.329  -9.558   4.564
  133   2HG1  ILE  19          HG11      ILE  19  -1.020 -10.690   4.905
  134   1HG2  ILE  19          HG23      ILE  19  -1.318  -7.522   6.645
  135   2HG2  ILE  19          HG22      ILE  19  -2.672  -7.982   5.612
  136   3HG2  ILE  19          HG21      ILE  19  -2.869  -7.958   7.365
  137   1HD1  ILE  19          HD12      ILE  19  -2.612 -12.143   6.131
  138   2HD1  ILE  19          HD11      ILE  19  -3.917 -11.025   5.737
  139   3HD1  ILE  19          HD13      ILE  19  -3.102 -11.915   4.452
  140    H    ALA  20           HN       ALA  20  -0.343 -11.321   8.964
  141    HA   ALA  20           HA       ALA  20  -0.830  -9.576  11.133
  142   1HB   ALA  20           HB1      ALA  20  -0.465 -12.302  10.831
  143   2HB   ALA  20           HB3      ALA  20   0.929 -11.827  11.803
  144   3HB   ALA  20           HB2      ALA  20  -0.704 -11.472  12.370
  145    H    GLU  21           HN       GLU  21   2.228 -10.561   9.630
  146    HA   GLU  21           HA       GLU  21   3.778  -8.991  11.589
  147   1HB   GLU  21           HB2      GLU  21   4.360 -10.980   9.482
  148   2HB   GLU  21           HB1      GLU  21   5.560  -9.696   9.632
  149   1HG   GLU  21           HG2      GLU  21   6.362 -11.199  11.207
  150   2HG   GLU  21           HG1      GLU  21   5.308 -10.212  12.221
  151    H    PHE  22           HN       PHE  22   2.183  -8.462   8.622
  152    HA   PHE  22           HA       PHE  22   3.983  -6.333   7.699
  153   1HB   PHE  22           HB2      PHE  22   2.034  -7.921   6.487
  154   2HB   PHE  22           HB1      PHE  22   1.303  -6.316   6.543
  155    HD1  PHE  22           HD2      PHE  22   4.851  -7.468   6.141
  156    HD2  PHE  22           HD1      PHE  22   1.556  -5.284   4.462
  157    HE1  PHE  22           HE2      PHE  22   6.291  -6.745   4.255
  158    HE2  PHE  22           HE1      PHE  22   2.995  -4.562   2.576
  159    HZ   PHE  22           HZ       PHE  22   5.362  -5.293   2.472
  160    H    LYS  23           HN       LYS  23   1.263  -6.624   9.815
  161    HA   LYS  23           HA       LYS  23   0.353  -3.876   9.581
  162   1HB   LYS  23           HB2      LYS  23  -1.063  -4.367  11.443
  163   2HB   LYS  23           HB1      LYS  23  -0.987  -5.852  10.495
  164   1HG   LYS  23           HG2      LYS  23  -0.314  -6.903  12.374
  165   2HG   LYS  23           HG1      LYS  23   1.204  -6.013  12.234
  166   1HD   LYS  23           HD2      LYS  23   0.693  -4.669  13.977
  167   2HD   LYS  23           HD1      LYS  23  -0.942  -4.388  13.378
  168   1HE   LYS  23           HE2      LYS  23  -0.677  -7.117  14.290
  169   2HE   LYS  23           HE1      LYS  23  -0.191  -6.001  15.567
  170   1HZ   LYS  23           HZ2      LYS  23  -2.660  -5.546  14.017
  171   2HZ   LYS  23           HZ1      LYS  23  -2.654  -6.599  15.350
  172   3HZ   LYS  23           HZ3      LYS  23  -2.247  -4.966  15.559
  173    H    ALA  24           HN       ALA  24   3.201  -5.116  10.738
  174    HA   ALA  24           HA       ALA  24   3.445  -3.355  13.083
  175   1HB   ALA  24           HB1      ALA  24   4.534  -5.621  12.964
  176   2HB   ALA  24           HB3      ALA  24   5.590  -4.991  11.700
  177   3HB   ALA  24           HB2      ALA  24   5.660  -4.312  13.326
  178    H    ALA  25           HN       ALA  25   5.156  -3.667   9.946
  179    HA   ALA  25           HA       ALA  25   6.461  -1.094  10.253
  180   1HB   ALA  25           HB1      ALA  25   6.417  -3.277   8.302
  181   2HB   ALA  25           HB3      ALA  25   6.506  -1.688   7.542
  182   3HB   ALA  25           HB2      ALA  25   7.727  -2.171   8.719
  183    H    PHE  26           HN       PHE  26   3.303  -1.987   9.412
  184    HA   PHE  26           HA       PHE  26   2.860   0.320   7.622
  185   1HB   PHE  26           HB2      PHE  26   1.710  -1.897   7.276
  186   2HB   PHE  26           HB1      PHE  26   0.824  -1.609   8.773
  187    HD1  PHE  26           HD1      PHE  26   1.528  -0.148   5.407
  188    HD2  PHE  26           HD2      PHE  26  -1.107  -0.250   8.798
  189    HE1  PHE  26           HE1      PHE  26  -0.115   1.240   4.173
  190    HE2  PHE  26           HE2      PHE  26  -2.750   1.137   7.564
  191    HZ   PHE  26           HZ       PHE  26  -2.255   1.882   5.252
  192    H    ASP  27           HN       ASP  27   2.293  -0.628  10.964
  193    HA   ASP  27           HA       ASP  27   0.481   1.538  11.583
  194   1HB   ASP  27           HB2      ASP  27   1.660  -0.684  12.961
  195   2HB   ASP  27           HB1      ASP  27   1.929   0.776  13.914
  196    H    MET  28           HN       MET  28   3.953   1.255  11.358
  197    HA   MET  28           HA       MET  28   4.602   3.573  12.951
  198   1HB   MET  28           HB2      MET  28   6.275   2.662  10.621
  199   2HB   MET  28           HB1      MET  28   6.799   3.293  12.182
  200   1HG   MET  28           HG2      MET  28   5.746   1.190  13.209
  201   2HG   MET  28           HG1      MET  28   5.673   0.559  11.564
  202   1HE   MET  28           HE1      MET  28   6.912  -0.328  14.193
  203   2HE   MET  28           HE3      MET  28   7.566  -1.489  13.030
  204   3HE   MET  28           HE2      MET  28   8.646  -0.636  14.131
  205    H    PHE  29           HN       PHE  29   3.266   3.172   9.805
  206    HA   PHE  29           HA       PHE  29   4.129   5.846   8.895
  207   1HB   PHE  29           HB2      PHE  29   2.881   3.462   7.674
  208   2HB   PHE  29           HB1      PHE  29   2.295   5.005   7.052
  209    HD1  PHE  29           HD1      PHE  29   5.439   3.133   7.821
  210    HD2  PHE  29           HD2      PHE  29   3.575   6.232   5.502
  211    HE1  PHE  29           HE1      PHE  29   7.515   3.384   6.489
  212    HE2  PHE  29           HE2      PHE  29   5.651   6.484   4.169
  213    HZ   PHE  29           HZ       PHE  29   7.622   5.059   4.662
  214    H    ASP  30           HN       ASP  30   0.906   4.285   8.970
  215    HA   ASP  30           HA       ASP  30  -0.707   6.513   8.866
  216   1HB   ASP  30           HB2      ASP  30  -2.409   5.267   9.997
  217   2HB   ASP  30           HB1      ASP  30  -1.428   4.078   9.138
  218    H    ALA  31           HN       ALA  31  -1.598   7.981  10.427
  219    HA   ALA  31           HA       ALA  31  -0.640   7.983  13.179
  220   1HB   ALA  31           HB1      ALA  31   0.692   9.625  11.092
  221   2HB   ALA  31           HB3      ALA  31   0.297  10.457  12.596
  222   3HB   ALA  31           HB2      ALA  31   1.324   9.024  12.625
  223    H    ASP  32           HN       ASP  32  -1.602  10.498  10.811
  224    HA   ASP  32           HA       ASP  32  -3.650  11.439  12.718
  225   1HB   ASP  32           HB2      ASP  32  -2.495  12.482  10.143
  226   2HB   ASP  32           HB1      ASP  32  -4.031  13.116  10.736
  227    H    GLY  33           HN       GLY  33  -4.109   8.832  11.648
  228   1HA   GLY  33           HA2      GLY  33  -6.733   9.318  10.394
  229   2HA   GLY  33           HA1      GLY  33  -5.596   8.365   9.439
  230    H    GLY  34           HN       GLY  34  -4.648   6.424  10.607
  231   1HA   GLY  34           HA2      GLY  34  -4.957   4.896  12.583
  232   2HA   GLY  34           HA1      GLY  34  -6.680   5.260  12.472
  233    H    GLY  35           HN       GLY  35  -4.308   4.453   9.927
  234   1HA   GLY  35           HA2      GLY  35  -4.347   2.052   9.091
  235   2HA   GLY  35           HA1      GLY  35  -6.105   2.186   9.163
  236    H    ASP  36           HN       ASP  36  -3.732   4.572   8.003
  237    HA   ASP  36           HA       ASP  36  -4.155   4.107   5.212
  238   1HB   ASP  36           HB2      ASP  36  -5.557   6.181   4.783
  239   2HB   ASP  36           HB1      ASP  36  -6.423   4.844   5.541
  240    H    ILE  37           HN       ILE  37  -2.886   5.573   3.949
  241    HA   ILE  37           HA       ILE  37  -1.457   7.693   5.489
  242    HB   ILE  37           HB       ILE  37  -0.123   5.724   3.606
  243   1HG1  ILE  37          HG12      ILE  37   0.719   5.783   6.415
  244   2HG1  ILE  37          HG11      ILE  37  -0.951   5.256   6.212
  245   1HG2  ILE  37          HG21      ILE  37   0.762   8.138   3.874
  246   2HG2  ILE  37          HG23      ILE  37   1.186   7.658   5.518
  247   3HG2  ILE  37          HG22      ILE  37   1.905   6.821   4.143
  248   1HD1  ILE  37          HD11      ILE  37  -0.218   3.587   4.541
  249   2HD1  ILE  37          HD13      ILE  37   1.454   4.102   4.769
  250   3HD1  ILE  37          HD12      ILE  37   0.579   3.331   6.093
  251    H    SER  38           HN       SER  38  -1.042   9.549   4.300
  252    HA   SER  38           HA       SER  38  -2.161   9.588   1.538
  253   1HB   SER  38           HB2      SER  38  -1.425  11.994   3.209
  254   2HB   SER  38           HB1      SER  38  -2.515  11.921   1.828
  255    HG   SER  38           HG       SER  38  -2.912  10.572   4.299
  256    H    THR  39           HN       THR  39  -0.954  11.061  -0.018
  257    HA   THR  39           HA       THR  39   1.745  10.224  -0.304
  258    HB   THR  39           HB       THR  39   1.885  11.791  -2.122
  259    HG1  THR  39           HG1      THR  39   1.194  13.672  -1.302
  260   1HG2  THR  39          HG21      THR  39   0.192   9.867  -2.241
  261   2HG2  THR  39          HG23      THR  39  -1.047  11.092  -1.966
  262   3HG2  THR  39          HG22      THR  39  -0.021  11.181  -3.398
  263    H    LYS  40           HN       LYS  40   0.382  12.640   1.712
  264    HA   LYS  40           HA       LYS  40   2.455  14.556   1.864
  265   1HB   LYS  40           HB2      LYS  40   0.386  14.944   3.042
  266   2HB   LYS  40           HB1      LYS  40   0.605  13.486   4.011
  267   1HG   LYS  40           HG2      LYS  40   2.188  14.457   5.372
  268   2HG   LYS  40           HG1      LYS  40   2.789  15.514   4.095
  269   1HD   LYS  40           HD2      LYS  40   0.925  17.002   4.322
  270   2HD   LYS  40           HD1      LYS  40   0.062  15.864   5.358
  271   1HE   LYS  40           HE2      LYS  40   1.467  16.266   7.189
  272   2HE   LYS  40           HE1      LYS  40   2.769  16.889   6.178
  273   1HZ   LYS  40           HZ3      LYS  40   1.030  18.697   5.596
  274   2HZ   LYS  40           HZ2      LYS  40   0.295  18.217   7.050
  275   3HZ   LYS  40           HZ1      LYS  40   1.890  18.803   7.053
  276    H    GLU  41           HN       GLU  41   1.997  11.888   4.211
  277    HA   GLU  41           HA       GLU  41   4.856  12.024   4.897
  278   1HB   GLU  41           HB2      GLU  41   2.435  10.656   5.986
  279   2HB   GLU  41           HB1      GLU  41   3.999   9.903   6.299
  280   1HG   GLU  41           HG2      GLU  41   4.720  11.627   7.634
  281   2HG   GLU  41           HG1      GLU  41   3.821  12.844   6.728
  282    H    LEU  42           HN       LEU  42   2.597   9.693   3.435
  283    HA   LEU  42           HA       LEU  42   4.231   7.488   3.031
  284   1HB   LEU  42           HB2      LEU  42   1.957   7.406   2.278
  285   2HB   LEU  42           HB1      LEU  42   2.200   8.767   1.186
  286    HG   LEU  42           HG       LEU  42   4.127   6.906   0.385
  287   1HD1  LEU  42          HD12      LEU  42   2.884   5.252   1.833
  288   2HD1  LEU  42          HD11      LEU  42   1.482   5.491   0.790
  289   3HD1  LEU  42          HD13      LEU  42   2.968   4.810   0.127
  290   1HD2  LEU  42          HD23      LEU  42   2.338   8.461  -0.821
  291   2HD2  LEU  42          HD22      LEU  42   3.016   7.059  -1.647
  292   3HD2  LEU  42          HD21      LEU  42   1.421   6.956  -0.901
  293    H    GLY  43           HN       GLY  43   4.412  10.613   1.432
  294   1HA   GLY  43           HA2      GLY  43   6.484   9.593  -0.428
  295   2HA   GLY  43           HA1      GLY  43   5.751  11.195  -0.487
  296    H    THR  44           HN       THR  44   6.136  11.595   2.441
  297    HA   THR  44           HA       THR  44   8.908  12.566   2.275
  298    HB   THR  44           HB       THR  44   7.079  12.771   4.673
  299    HG1  THR  44           HG1      THR  44   6.201  14.579   3.728
  300   1HG2  THR  44          HG22      THR  44   9.597  14.003   3.731
  301   2HG2  THR  44          HG21      THR  44   8.421  15.129   4.410
  302   3HG2  THR  44          HG23      THR  44   9.001  13.771   5.375
  303    H    VAL  45           HN       VAL  45   7.165  10.800   4.869
  304    HA   VAL  45           HA       VAL  45   9.344   9.862   6.297
  305    HB   VAL  45           HB       VAL  45   7.007   8.061   5.629
  306   1HG1  VAL  45          HG11      VAL  45   9.067   7.416   7.113
  307   2HG1  VAL  45          HG13      VAL  45   8.307   8.464   8.311
  308   3HG1  VAL  45          HG12      VAL  45   7.443   7.054   7.697
  309   1HG2  VAL  45          HG21      VAL  45   7.136  10.561   7.309
  310   2HG2  VAL  45          HG23      VAL  45   5.897  10.072   6.153
  311   3HG2  VAL  45          HG22      VAL  45   6.010   9.266   7.717
  312    H    MET  46           HN       MET  46   8.222   8.794   3.154
  313    HA   MET  46           HA       MET  46  10.018   6.470   3.116
  314   1HB   MET  46           HB2      MET  46   7.706   6.980   1.806
  315   2HB   MET  46           HB1      MET  46   8.863   7.509   0.584
  316   1HG   MET  46           HG2      MET  46   9.354   5.377   0.067
  317   2HG   MET  46           HG1      MET  46   9.768   5.033   1.747
  318   1HE   MET  46           HE2      MET  46   7.036   6.167  -0.355
  319   2HE   MET  46           HE1      MET  46   6.584   4.573  -0.954
  320   3HE   MET  46           HE3      MET  46   5.554   5.407   0.218
  321    H    ARG  47           HN       ARG  47   9.905   9.743   1.714
  322    HA   ARG  47           HA       ARG  47  12.209   9.476   0.067
  323   1HB   ARG  47           HB2      ARG  47  10.445  11.553   0.745
  324   2HB   ARG  47           HB1      ARG  47  12.039  12.122   1.247
  325   1HG   ARG  47           HG2      ARG  47  12.948  11.750  -0.966
  326   2HG   ARG  47           HG1      ARG  47  11.475  10.938  -1.484
  327   1HD   ARG  47           HD2      ARG  47  11.755  13.402  -2.181
  328   2HD   ARG  47           HD1      ARG  47  10.216  12.946  -1.450
  329    HE   ARG  47           HE       ARG  47  11.231  13.848   0.730
  330   1HH1  ARG  47          HH11      ARG  47  13.405  14.453  -1.708
  331   2HH1  ARG  47          HH12      ARG  47  13.460  16.171  -1.496
  332   1HH2  ARG  47          HH21      ARG  47  10.792  16.247   0.715
  333   2HH2  ARG  47          HH22      ARG  47  11.981  17.186  -0.124
  334    H    MET  48           HN       MET  48  11.870   9.656   3.493
  335    HA   MET  48           HA       MET  48  14.649  10.540   3.921
  336   1HB   MET  48           HB2      MET  48  12.284   9.957   5.631
  337   2HB   MET  48           HB1      MET  48  13.868   9.685   6.359
  338   1HG   MET  48           HG2      MET  48  14.242  11.899   6.558
  339   2HG   MET  48           HG1      MET  48  13.812  12.181   4.870
  340   1HE   MET  48           HE1      MET  48  13.463  14.234   6.648
  341   2HE   MET  48           HE3      MET  48  11.842  14.648   7.224
  342   3HE   MET  48           HE2      MET  48  12.877  13.593   8.181
  343    H    LEU  49           HN       LEU  49  12.780   7.576   3.831
  344    HA   LEU  49           HA       LEU  49  15.064   5.988   4.820
  345   1HB   LEU  49           HB2      LEU  49  12.352   5.075   3.822
  346   2HB   LEU  49           HB1      LEU  49  13.534   4.091   4.685
  347    HG   LEU  49           HG       LEU  49  12.334   6.624   5.833
  348   1HD1  LEU  49          HD13      LEU  49  11.183   3.975   5.525
  349   2HD1  LEU  49          HD12      LEU  49  11.365   4.390   7.229
  350   3HD1  LEU  49          HD11      LEU  49  10.442   5.444   6.158
  351   1HD2  LEU  49          HD23      LEU  49  14.543   5.054   6.566
  352   2HD2  LEU  49          HD22      LEU  49  13.732   6.256   7.569
  353   3HD2  LEU  49          HD21      LEU  49  13.256   4.561   7.666
  354    H    GLY  50           HN       GLY  50  14.051   7.240   1.840
  355   1HA   GLY  50           HA2      GLY  50  16.073   5.817   0.391
  356   2HA   GLY  50           HA1      GLY  50  14.503   5.090   0.053
  357    H    GLN  51           HN       GLN  51  14.943   8.446   0.753
  358    HA   GLN  51           HA       GLN  51  13.782  10.211  -0.407
  359   1HB   GLN  51           HB2      GLN  51  16.161  10.643  -0.183
  360   2HB   GLN  51           HB1      GLN  51  16.458   9.823  -1.723
  361   1HG   GLN  51           HG2      GLN  51  14.930  11.414  -2.845
  362   2HG   GLN  51           HG1      GLN  51  14.705  12.257  -1.313
  363   1HE2  GLN  51          HE22      GLN  51  17.891  13.865  -1.418
  364   2HE2  GLN  51          HE21      GLN  51  16.584  13.439  -0.421
  365    H    ASN  52           HN       ASN  52  15.262   8.136  -2.975
  366    HA   ASN  52           HA       ASN  52  14.290   9.015  -5.265
  367   1HB   ASN  52           HB2      ASN  52  15.083   6.639  -4.805
  368   2HB   ASN  52           HB1      ASN  52  13.398   6.256  -4.447
  369   1HD2  ASN  52          HD22      ASN  52  14.581   6.673  -8.305
  370   2HD2  ASN  52          HD21      ASN  52  15.680   6.833  -7.021
  371    HA   PRO  53           HA       PRO  53   9.623   8.136  -4.401
  372   1HB   PRO  53           HB2      PRO  53   9.017   8.140  -1.703
  373   2HB   PRO  53           HB1      PRO  53   9.233   6.685  -2.684
  374   1HG   PRO  53           HG2      PRO  53  11.089   7.956  -0.742
  375   2HG   PRO  53           HG1      PRO  53  10.849   6.237  -1.115
  376   1HD   PRO  53           HD2      PRO  53  12.921   7.679  -2.057
  377   2HD   PRO  53           HD1      PRO  53  12.282   6.291  -2.921
  378    H    THR  54           HN       THR  54  10.090  10.376  -5.161
  379    HA   THR  54           HA       THR  54  10.368  12.612  -3.399
  380    HB   THR  54           HB       THR  54   9.075  12.562  -6.135
  381    HG1  THR  54           HG1      THR  54  11.792  12.693  -5.341
  382   1HG2  THR  54          HG22      THR  54  10.167  14.669  -4.325
  383   2HG2  THR  54          HG21      THR  54  10.380  14.872  -6.065
  384   3HG2  THR  54          HG23      THR  54   8.759  14.718  -5.387
  385    H    LYS  55           HN       LYS  55   8.618  14.356  -3.268
  386    HA   LYS  55           HA       LYS  55   6.303  13.332  -1.959
  387   1HB   LYS  55           HB2      LYS  55   7.063  15.602  -1.524
  388   2HB   LYS  55           HB1      LYS  55   6.823  16.041  -3.216
  389   1HG   LYS  55           HG2      LYS  55   4.954  16.795  -1.724
  390   2HG   LYS  55           HG1      LYS  55   4.427  15.717  -3.017
  391   1HD   LYS  55           HD2      LYS  55   4.313  13.842  -1.524
  392   2HD   LYS  55           HD1      LYS  55   5.125  14.739  -0.240
  393   1HE   LYS  55           HE2      LYS  55   2.472  15.594  -1.418
  394   2HE   LYS  55           HE1      LYS  55   2.600  14.556   0.000
  395   1HZ   LYS  55           HZ3      LYS  55   3.850  17.238  -0.237
  396   2HZ   LYS  55           HZ2      LYS  55   2.376  16.931   0.550
  397   3HZ   LYS  55           HZ1      LYS  55   3.816  16.255   1.144
  398    H    GLU  56           HN       GLU  56   6.929  14.302  -5.283
  399    HA   GLU  56           HA       GLU  56   4.115  13.830  -6.014
  400   1HB   GLU  56           HB2      GLU  56   4.686  14.700  -8.168
  401   2HB   GLU  56           HB1      GLU  56   5.551  15.704  -7.005
  402   1HG   GLU  56           HG2      GLU  56   7.405  15.222  -8.215
  403   2HG   GLU  56           HG1      GLU  56   7.326  13.629  -7.459
  404    H    GLU  57           HN       GLU  57   7.094  12.160  -5.838
  405    HA   GLU  57           HA       GLU  57   6.750  10.254  -7.942
  406   1HB   GLU  57           HB2      GLU  57   8.864  10.650  -6.604
  407   2HB   GLU  57           HB1      GLU  57   8.105   9.769  -5.278
  408   1HG   GLU  57           HG2      GLU  57   9.151   7.995  -6.297
  409   2HG   GLU  57           HG1      GLU  57   7.668   7.999  -7.253
  410    H    LEU  58           HN       LEU  58   5.247  10.628  -4.837
  411    HA   LEU  58           HA       LEU  58   4.262   7.852  -4.783
  412   1HB   LEU  58           HB2      LEU  58   3.897  10.257  -2.994
  413   2HB   LEU  58           HB1      LEU  58   2.908   8.809  -2.793
  414    HG   LEU  58           HG       LEU  58   4.813   8.604  -1.321
  415   1HD1  LEU  58          HD12      LEU  58   4.108   6.708  -3.130
  416   2HD1  LEU  58          HD11      LEU  58   5.815   6.897  -3.530
  417   3HD1  LEU  58          HD13      LEU  58   5.337   6.453  -1.892
  418   1HD2  LEU  58          HD23      LEU  58   6.238  10.252  -2.533
  419   2HD2  LEU  58          HD22      LEU  58   7.109   8.774  -2.135
  420   3HD2  LEU  58          HD21      LEU  58   6.534   9.042  -3.781
  421    H    ASP  59           HN       ASP  59   3.312  10.898  -6.070
  422    HA   ASP  59           HA       ASP  59   0.455  10.463  -6.069
  423   1HB   ASP  59           HB2      ASP  59   1.692  12.675  -6.495
  424   2HB   ASP  59           HB1      ASP  59   1.983  12.069  -8.127
  425    H    ALA  60           HN       ALA  60   3.099   9.320  -8.019
  426    HA   ALA  60           HA       ALA  60   1.668   8.602 -10.381
  427   1HB   ALA  60           HB3      ALA  60   4.276   8.073  -9.225
  428   2HB   ALA  60           HB2      ALA  60   3.616   6.614  -9.966
  429   3HB   ALA  60           HB1      ALA  60   3.796   8.084 -10.922
  430    H    ILE  61           HN       ILE  61   2.428   6.675  -7.459
  431    HA   ILE  61           HA       ILE  61   0.922   4.372  -8.282
  432    HB   ILE  61           HB       ILE  61   1.193   5.123  -5.387
  433   1HG1  ILE  61          HG12      ILE  61   3.555   3.785  -6.117
  434   2HG1  ILE  61          HG11      ILE  61   3.364   5.078  -7.304
  435   1HG2  ILE  61          HG23      ILE  61   0.186   2.947  -6.329
  436   2HG2  ILE  61          HG22      ILE  61   1.842   2.521  -6.761
  437   3HG2  ILE  61          HG21      ILE  61   1.413   2.795  -5.071
  438   1HD1  ILE  61          HD12      ILE  61   2.792   6.553  -5.229
  439   2HD1  ILE  61          HD11      ILE  61   3.601   5.280  -4.315
  440   3HD1  ILE  61          HD13      ILE  61   4.480   6.168  -5.560
  441    H    ILE  62           HN       ILE  62   0.107   7.244  -6.354
  442    HA   ILE  62           HA       ILE  62  -2.442   6.559  -5.468
  443    HB   ILE  62           HB       ILE  62  -1.475   9.218  -6.556
  444   1HG1  ILE  62          HG12      ILE  62  -0.339   8.152  -4.528
  445   2HG1  ILE  62          HG11      ILE  62  -1.014   9.760  -4.270
  446   1HG2  ILE  62          HG21      ILE  62  -3.955   9.056  -6.576
  447   2HG2  ILE  62          HG23      ILE  62  -3.925   8.599  -4.873
  448   3HG2  ILE  62          HG22      ILE  62  -3.384  10.204  -5.365
  449   1HD1  ILE  62          HD13      ILE  62  -2.872   7.505  -3.773
  450   2HD1  ILE  62          HD12      ILE  62  -1.528   7.647  -2.640
  451   3HD1  ILE  62          HD11      ILE  62  -2.641   8.996  -2.860
  452    H    GLU  63           HN       GLU  63  -1.407   7.502  -8.704
  453    HA   GLU  63           HA       GLU  63  -4.039   7.777  -9.834
  454   1HB   GLU  63           HB2      GLU  63  -2.091   8.679 -10.993
  455   2HB   GLU  63           HB1      GLU  63  -1.384   7.068 -11.120
  456   1HG   GLU  63           HG2      GLU  63  -2.371   7.265 -13.214
  457   2HG   GLU  63           HG1      GLU  63  -3.678   6.501 -12.311
  458    H    GLU  64           HN       GLU  64  -1.727   5.054  -9.749
  459    HA   GLU  64           HA       GLU  64  -3.775   3.255 -10.886
  460   1HB   GLU  64           HB2      GLU  64  -2.016   1.600 -10.967
  461   2HB   GLU  64           HB1      GLU  64  -1.337   3.123 -11.543
  462   1HG   GLU  64           HG2      GLU  64  -0.553   3.537  -9.156
  463   2HG   GLU  64           HG1      GLU  64  -0.993   1.865  -8.812
  464    H    VAL  65           HN       VAL  65  -4.431   4.375  -8.338
  465    HA   VAL  65           HA       VAL  65  -4.888   1.904  -6.846
  466    HB   VAL  65           HB       VAL  65  -3.220   4.130  -5.631
  467   1HG1  VAL  65          HG13      VAL  65  -4.733   1.815  -4.494
  468   2HG1  VAL  65          HG12      VAL  65  -3.174   2.221  -3.773
  469   3HG1  VAL  65          HG11      VAL  65  -4.465   3.421  -3.816
  470   1HG2  VAL  65          HG22      VAL  65  -2.617   1.247  -6.356
  471   2HG2  VAL  65          HG21      VAL  65  -1.853   2.692  -7.020
  472   3HG2  VAL  65          HG23      VAL  65  -1.570   2.238  -5.340
  473    H    ASP  66           HN       ASP  66  -4.749   5.374  -6.014
  474    HA   ASP  66           HA       ASP  66  -7.141   5.496  -4.555
  475   1HB   ASP  66           HB2      ASP  66  -5.736   7.411  -4.496
  476   2HB   ASP  66           HB1      ASP  66  -5.711   7.547  -6.253
  477    H    GLU  67           HN       GLU  67  -8.701   4.163  -5.634
  478    HA   GLU  67           HA       GLU  67  -9.719   5.204  -8.236
  479   1HB   GLU  67           HB2      GLU  67  -9.111   2.681  -7.716
  480   2HB   GLU  67           HB1      GLU  67 -10.711   2.670  -6.971
  481   1HG   GLU  67           HG2      GLU  67 -10.781   1.989  -9.366
  482   2HG   GLU  67           HG1      GLU  67 -11.724   3.447  -9.056
  483    H    ASP  68           HN       ASP  68 -11.048   3.849  -5.193
  484    HA   ASP  68           HA       ASP  68 -13.692   4.635  -5.431
  485   1HB   ASP  68           HB2      ASP  68 -13.701   4.879  -2.936
  486   2HB   ASP  68           HB1      ASP  68 -12.922   3.396  -3.488
  487    H    GLY  69           HN       GLY  69 -11.034   6.674  -4.163
  488   1HA   GLY  69           HA2      GLY  69 -11.207   9.052  -5.188
  489   2HA   GLY  69           HA1      GLY  69 -12.834   9.032  -4.509
  490    H    SER  70           HN       SER  70  -9.605   8.088  -3.274
  491    HA   SER  70           HA       SER  70 -10.138   9.870  -0.932
  492   1HB   SER  70           HB2      SER  70  -8.869   7.118  -0.952
  493   2HB   SER  70           HB1      SER  70  -8.876   8.192   0.443
  494    HG   SER  70           HG       SER  70 -11.223   7.406  -0.941
  495    H    GLY  71           HN       GLY  71  -7.722   8.343  -3.024
  496   1HA   GLY  71           HA2      GLY  71  -5.665   9.234  -3.765
  497   2HA   GLY  71           HA1      GLY  71  -6.030  10.709  -2.869
  498    H    THR  72           HN       THR  72  -5.850   7.375  -1.652
  499    HA   THR  72           HA       THR  72  -3.311   7.947  -0.268
  500    HB   THR  72           HB       THR  72  -4.107   8.152   1.863
  501    HG1  THR  72           HG1      THR  72  -5.695   6.851   2.666
  502   1HG2  THR  72          HG23      THR  72  -6.637   8.677   0.289
  503   2HG2  THR  72          HG22      THR  72  -6.404   9.126   1.980
  504   3HG2  THR  72          HG21      THR  72  -5.402   9.858   0.726
  505    H    ILE  73           HN       ILE  73  -3.647   5.792   1.629
  506    HA   ILE  73           HA       ILE  73  -4.299   3.456  -0.045
  507    HB   ILE  73           HB       ILE  73  -1.631   3.447   1.327
  508   1HG1  ILE  73          HG12      ILE  73  -2.252   4.651  -1.387
  509   2HG1  ILE  73          HG11      ILE  73  -1.528   5.474  -0.006
  510   1HG2  ILE  73          HG22      ILE  73  -3.157   1.743  -0.416
  511   2HG2  ILE  73          HG21      ILE  73  -1.656   2.196  -1.222
  512   3HG2  ILE  73          HG23      ILE  73  -1.607   1.416   0.359
  513   1HD1  ILE  73          HD12      ILE  73   0.247   3.503  -0.205
  514   2HD1  ILE  73          HD11      ILE  73  -0.312   3.482  -1.878
  515   3HD1  ILE  73          HD13      ILE  73   0.386   4.952  -1.200
  516    H    ASP  74           HN       ASP  74  -4.522   1.492   1.228
  517    HA   ASP  74           HA       ASP  74  -4.236   1.677   4.147
  518   1HB   ASP  74           HB2      ASP  74  -6.757   0.901   4.283
  519   2HB   ASP  74           HB1      ASP  74  -6.367   2.619   4.196
  520    H    PHE  75           HN       PHE  75  -5.429  -0.507   5.034
  521    HA   PHE  75           HA       PHE  75  -3.926  -2.687   4.119
  522   1HB   PHE  75           HB2      PHE  75  -6.325  -2.327   5.793
  523   2HB   PHE  75           HB1      PHE  75  -6.206  -3.915   5.032
  524    HD1  PHE  75           HD2      PHE  75  -3.927  -1.434   6.701
  525    HD2  PHE  75           HD1      PHE  75  -5.056  -5.551   6.219
  526    HE1  PHE  75           HE2      PHE  75  -2.207  -2.100   8.359
  527    HE2  PHE  75           HE1      PHE  75  -3.333  -6.217   7.876
  528    HZ   PHE  75           HZ       PHE  75  -1.909  -4.491   8.945
  529    H    GLU  76           HN       GLU  76  -6.745  -1.260   2.694
  530    HA   GLU  76           HA       GLU  76  -7.565  -3.577   1.158
  531   1HB   GLU  76           HB2      GLU  76  -8.080  -0.666   0.502
  532   2HB   GLU  76           HB1      GLU  76  -9.031  -2.063  -0.002
  533   1HG   GLU  76           HG2      GLU  76  -9.361  -2.515   2.517
  534   2HG   GLU  76           HG1      GLU  76  -8.781  -0.867   2.758
  535    H    GLU  77           HN       GLU  77  -6.364  -0.494  -0.197
  536    HA   GLU  77           HA       GLU  77  -5.350  -1.807  -2.559
  537   1HB   GLU  77           HB2      GLU  77  -4.659   0.948  -1.491
  538   2HB   GLU  77           HB1      GLU  77  -4.461   0.383  -3.151
  539   1HG   GLU  77           HG2      GLU  77  -6.783   0.315  -3.537
  540   2HG   GLU  77           HG1      GLU  77  -7.160   0.310  -1.814
  541    H    PHE  78           HN       PHE  78  -3.719  -0.306   0.238
  542    HA   PHE  78           HA       PHE  78  -1.065  -0.633  -0.278
  543   1HB   PHE  78           HB2      PHE  78  -2.069   0.084   1.916
  544   2HB   PHE  78           HB1      PHE  78  -2.322  -1.619   2.296
  545    HD1  PHE  78           HD2      PHE  78  -0.416  -3.130   2.669
  546    HD2  PHE  78           HD1      PHE  78   0.164   1.053   1.879
  547    HE1  PHE  78           HE2      PHE  78   1.930  -3.306   3.452
  548    HE2  PHE  78           HE1      PHE  78   2.510   0.875   2.662
  549    HZ   PHE  78           HZ       PHE  78   3.393  -1.305   3.448
  550    H    LEU  79           HN       LEU  79  -3.319  -3.287   0.384
  551    HA   LEU  79           HA       LEU  79  -1.187  -5.293   0.412
  552   1HB   LEU  79           HB2      LEU  79  -4.153  -5.284   0.676
  553   2HB   LEU  79           HB1      LEU  79  -3.413  -6.768   0.075
  554    HG   LEU  79           HG       LEU  79  -3.612  -6.770   2.551
  555   1HD1  LEU  79          HD11      LEU  79  -1.576  -7.705   1.112
  556   2HD1  LEU  79          HD13      LEU  79  -0.682  -6.482   2.015
  557   3HD1  LEU  79          HD12      LEU  79  -1.544  -7.759   2.875
  558   1HD2  LEU  79          HD23      LEU  79  -1.913  -4.289   2.234
  559   2HD2  LEU  79          HD22      LEU  79  -3.432  -4.462   3.112
  560   3HD2  LEU  79          HD21      LEU  79  -1.959  -5.202   3.743
  561    H    VAL  80           HN       VAL  80  -3.724  -4.277  -1.884
  562    HA   VAL  80           HA       VAL  80  -3.026  -6.209  -3.897
  563    HB   VAL  80           HB       VAL  80  -4.551  -5.072  -5.291
  564   1HG1  VAL  80          HG13      VAL  80  -5.271  -5.687  -2.755
  565   2HG1  VAL  80          HG12      VAL  80  -5.676  -3.970  -2.773
  566   3HG1  VAL  80          HG11      VAL  80  -6.406  -5.061  -3.950
  567   1HG2  VAL  80          HG23      VAL  80  -3.407  -2.689  -3.970
  568   2HG2  VAL  80          HG22      VAL  80  -4.018  -2.877  -5.614
  569   3HG2  VAL  80          HG21      VAL  80  -5.140  -2.582  -4.285
  570    H    MET  81           HN       MET  81  -1.335  -3.537  -2.754
  571    HA   MET  81           HA       MET  81  -0.098  -2.841  -5.335
  572   1HB   MET  81           HB2      MET  81  -0.369  -1.599  -2.771
  573   2HB   MET  81           HB1      MET  81   1.351  -1.751  -3.131
  574   1HG   MET  81           HG2      MET  81   1.217  -0.412  -5.020
  575   2HG   MET  81           HG1      MET  81  -0.484  -0.792  -5.295
  576   1HE   MET  81           HE2      MET  81   1.989   0.334  -2.952
  577   2HE   MET  81           HE1      MET  81   1.808   2.080  -3.097
  578   3HE   MET  81           HE3      MET  81   1.132   1.230  -1.701
  579    H    MET  82           HN       MET  82   1.437  -3.624  -2.206
  580    HA   MET  82           HA       MET  82   3.881  -4.512  -3.225
  581   1HB   MET  82           HB2      MET  82   2.724  -4.417  -0.723
  582   2HB   MET  82           HB1      MET  82   2.921  -6.151  -0.981
  583   1HG   MET  82           HG2      MET  82   5.294  -4.880  -1.914
  584   2HG   MET  82           HG1      MET  82   4.930  -4.215  -0.322
  585   1HE   MET  82           HE2      MET  82   5.474  -6.903  -2.587
  586   2HE   MET  82           HE1      MET  82   6.436  -8.096  -1.716
  587   3HE   MET  82           HE3      MET  82   4.675  -8.252  -1.784
  588    H    VAL  83           HN       VAL  83   0.794  -6.099  -3.352
  589    HA   VAL  83           HA       VAL  83   1.912  -8.750  -3.894
  590    HB   VAL  83           HB       VAL  83  -0.885  -7.611  -4.133
  591   1HG1  VAL  83          HG12      VAL  83   0.251  -9.978  -5.323
  592   2HG1  VAL  83          HG11      VAL  83  -0.915 -10.445  -4.085
  593   3HG1  VAL  83          HG13      VAL  83  -1.409  -9.390  -5.409
  594   1HG2  VAL  83          HG22      VAL  83   0.657  -8.548  -1.952
  595   2HG2  VAL  83          HG21      VAL  83  -1.070  -8.189  -1.960
  596   3HG2  VAL  83          HG23      VAL  83  -0.507  -9.823  -2.311
  597    H    ARG  84           HN       ARG  84   0.421  -6.137  -5.811
  598    HA   ARG  84           HA       ARG  84   0.371  -7.393  -8.324
  599   1HB   ARG  84           HB2      ARG  84  -0.078  -4.828  -7.408
  600   2HB   ARG  84           HB1      ARG  84   1.345  -4.620  -8.429
  601   1HG   ARG  84           HG2      ARG  84   0.009  -6.107 -10.128
  602   2HG   ARG  84           HG1      ARG  84  -1.392  -5.605  -9.183
  603   1HD   ARG  84           HD2      ARG  84  -1.399  -3.608 -10.218
  604   2HD   ARG  84           HD1      ARG  84   0.249  -3.305  -9.674
  605    HE   ARG  84           HE       ARG  84   0.382  -5.067 -11.898
  606   1HH1  ARG  84          HH21      ARG  84  -1.655  -2.466 -11.903
  607   2HH1  ARG  84          HH22      ARG  84  -0.801  -1.541 -13.093
  608   1HH2  ARG  84          HH11      ARG  84   1.983  -3.609 -13.089
  609   2HH2  ARG  84          HH12      ARG  84   1.258  -2.189 -13.764
  610    H    GLN  85           HN       GLN  85   3.007  -5.204  -7.250
  611    HA   GLN  85           HA       GLN  85   4.821  -6.218  -9.266
  612   1HB   GLN  85           HB2      GLN  85   5.118  -4.431  -6.858
  613   2HB   GLN  85           HB1      GLN  85   6.539  -4.983  -7.746
  614   1HG   GLN  85           HG2      GLN  85   6.129  -3.586  -9.474
  615   2HG   GLN  85           HG1      GLN  85   4.418  -4.013  -9.513
  616   1HE2  GLN  85          HE22      GLN  85   4.121  -0.574  -8.471
  617   2HE2  GLN  85          HE21      GLN  85   4.172  -1.557  -9.854
  618    H    MET  86           HN       MET  86   4.751  -8.528  -8.858
  619    HA   MET  86           HA       MET  86   5.817  -9.476  -6.271
  620   1HB   MET  86           HB2      MET  86   4.531 -10.747  -8.656
  621   2HB   MET  86           HB1      MET  86   5.563 -11.745  -7.629
  622   1HG   MET  86           HG2      MET  86   3.775 -10.073  -6.050
  623   2HG   MET  86           HG1      MET  86   2.881 -11.117  -7.156
  624   1HE   MET  86           HE1      MET  86   4.210 -10.468  -4.130
  625   2HE   MET  86           HE3      MET  86   4.353 -11.970  -3.209
  626   3HE   MET  86           HE2      MET  86   5.735 -11.350  -4.108
  627    H    LYS  87           HN       LYS  87   6.732  -9.527  -9.720
  628    HA   LYS  87           HA       LYS  87   9.256 -10.865  -9.205
  629   1HB   LYS  87           HB2      LYS  87   9.764 -10.340 -11.550
  630   2HB   LYS  87           HB1      LYS  87   8.122 -10.967 -11.409
  631   1HG   LYS  87           HG2      LYS  87   7.932  -8.170 -11.023
  632   2HG   LYS  87           HG1      LYS  87   8.991  -8.407 -12.415
  633   1HD   LYS  87           HD2      LYS  87   7.326  -9.312 -13.697
  634   2HD   LYS  87           HD1      LYS  87   6.569 -10.120 -12.324
  635   1HE   LYS  87           HE2      LYS  87   4.993  -8.474 -12.718
  636   2HE   LYS  87           HE1      LYS  87   6.044  -7.614 -11.593
  637   1HZ   LYS  87           HZ3      LYS  87   7.284  -7.030 -13.819
  638   2HZ   LYS  87           HZ2      LYS  87   5.741  -7.286 -14.482
  639   3HZ   LYS  87           HZ1      LYS  87   5.965  -6.112 -13.275
  640    H    GLU  88           HN       GLU  88   8.184  -7.524  -9.287
  641    HA   GLU  88           HA       GLU  88  10.865  -6.409  -9.447
  642   1HB   GLU  88           HB2      GLU  88   8.173  -5.258  -8.687
  643   2HB   GLU  88           HB1      GLU  88   9.655  -4.302  -8.637
  644   1HG   GLU  88           HG2      GLU  88  10.024  -5.101 -11.067
  645   2HG   GLU  88           HG1      GLU  88   8.324  -5.570 -11.028
  646    H    ASP  89           HN       ASP  89   9.186  -8.028  -7.026
  647    HA   ASP  89           HA       ASP  89   9.912  -8.511  -4.829
  648   1HB   ASP  89           HB2      ASP  89  11.817  -6.176  -4.963
  649   2HB   ASP  89           HB1      ASP  89  11.940  -7.642  -3.990
  650    H    ALA  90           HN       ALA  90  10.343  -4.966  -5.118
  651    HA   ALA  90           HA       ALA  90   9.243  -3.226  -3.996
  652   1HB   ALA  90           HB2      ALA  90   7.243  -5.057  -4.958
  653   2HB   ALA  90           HB1      ALA  90   6.728  -4.404  -3.402
  654   3HB   ALA  90           HB3      ALA  90   7.118  -3.313  -4.732
    
  No H/Q in entry =         654