*HEADER    HORMONE/GROWTH FACTOR                   08-FEB-00   1EFE              
*TITLE     AN ACTIVE MINI-PROINSULIN, M2PI                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MINI-PROINSULIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: M2PI;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET3A                                     
*KEYWDS    NMR, LINKER, INSULIN, PROINSULIN                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Y.CHO, S.G.CHANG, K.D.CHOI, H.SHIN, B.AHN, K.S.KIM                    
*REVDAT   1   17-MAR-00 1EFE    0                                                


assign (resid   2 and name   HA) (resid   2 and name   HB) 2.4 0.6 0.3 
assign (resid   2 and name   HA) (resid   2 and name  HG#) 2.4 0.6 3.6
assign (resid   2 and name   HB) (resid   2 and name  HG#) 2.4 0.6 3.6
assign (resid   2 and name   HN) (resid   1 and name   HA) 2.4 0.6 0.3 
assign (resid   2 and name   HN) (resid   2 and name   HA) 2.4 0.6 0.3
assign (resid   3 and name   HN) (resid   2 and name   HA) 2.4 0.6 0.3 
assign (resid   3 and name   HN) (resid   3 and name  HB#) 2.4 0.6 1.3
assign (resid   4 and name   HA) (resid   4 and name  HB1) 2.4 0.6 0.3
assign (resid   4 and name   HN) (resid   3 and name   HA) 2.4 0.6 0.3 
assign (resid   6 and name   HA) (resid   6 and name HD1#) 2.4 0.6 1.8
assign (resid   6 and name   HG) (resid   6 and name  HD#) 2.4 0.6 3.6
assign (resid   6 and name   HN) (resid   6 and name   HA) 2.4 0.6 0.3
assign (resid   7 and name   HN) (resid   6 and name   HA) 3.0 1.2 0.5 
assign (resid   9 and name   HA) (resid   9 and name  HB#) 2.4 0.6 1.3
assign (resid   9 and name   HA) (resid  12 and name  HG#) 2.4 0.6 3.6 
assign (resid   9 and name   HN) (resid   8 and name  HA#) 2.4 0.6 1.3 
assign (resid   9 and name   HN) (resid   9 and name  HB#) 2.4 0.6 1.3
assign (resid  10 and name   HA) (resid  10 and name  HB#) 2.4 0.6 1.3
assign (resid  10 and name   HN) (resid  11 and name   HN) 2.4 0.6 0.3 
assign (resid  12 and name   HA) (resid  12 and name  HG#) 2.4 0.6 3.6
assign (resid  12 and name   HB) (resid  12 and name  HG#) 2.4 0.6 3.6
assign (resid  12 and name   HN) (resid  12 and name  HG#) 2.4 0.6 3.6
assign (resid  13 and name   HA) (resid  13 and name  HB#) 2.4 0.6 1.3
assign (resid  13 and name   HA) (resid  16 and name  HB#) 2.4 0.6 1.3 
assign (resid  13 and name   HN) (resid  12 and name   HB) 2.4 0.6 0.3 
assign (resid  13 and name   HN) (resid  12 and name   HN) 2.4 0.6 0.3 
assign (resid  13 and name   HN) (resid  13 and name   HA) 2.4 0.6 0.3
assign (resid  13 and name   HN) (resid  13 and name  HB#) 2.4 0.6 1.3
assign (resid  14 and name   HA) (resid  14 and name  HB#) 2.4 0.6 1.8
assign (resid  14 and name   HN) (resid  14 and name   HA) 2.4 0.6 0.3
assign (resid  14 and name   HN) (resid  14 and name  HB#) 2.4 0.6 1.8
assign (resid  14 and name  HB#) (resid  11 and name  HD#) 2.4 0.6 5.1
assign (resid  15 and name   HA) (resid  15 and name  HB#) 2.4 0.6 1.3
assign (resid  15 and name   HA) (resid  15 and name HD1#) 2.4 0.6 1.8
assign (resid  15 and name   HG) (resid  15 and name  HD#) 2.4 0.6 3.6
assign (resid  15 and name   HN) (resid  14 and name  HB#) 2.4 0.6 1.8
assign (resid  15 and name   HN) (resid  15 and name  HB#) 2.4 0.6 1.3
assign (resid  16 and name   HA) (resid  16 and name  HB#) 2.4 0.6 1.3
assign (resid  16 and name   HN) (resid  16 and name  HB#) 2.4 0.6 1.3
assign (resid  16 and name  HD#) (resid  16 and name  HB#) 2.4 0.6 3.5
assign (resid  16 and name  HD#) (resid  16 and name  HE#) 2.4 0.6 4.7
assign (resid  16 and name  HE#) (resid  16 and name  HD#) 2.4 0.6 4.7
assign (resid  17 and name   HA) (resid  17 and name  HB2) 2.4 0.6 0.3
assign (resid  17 and name   HA) (resid  17 and name  HB1) 2.4 0.6 0.3
assign (resid  17 and name   HA) (resid  17 and name  HD#) 2.4 0.6 3.6
assign (resid  17 and name   HG) (resid  17 and name  HD#) 2.4 0.6 3.6
assign (resid  17 and name   HN) (resid  17 and name   HA) 2.4 0.6 0.3
assign (resid  17 and name   HN) (resid  17 and name  HB2) 2.4 0.6 0.3
assign (resid  18 and name   HA) (resid  18 and name   HB) 2.4 0.6 0.3
assign (resid  18 and name   HA) (resid  18 and name HG1#) 2.4 0.6 1.8
assign (resid  18 and name   HB) (resid  18 and name HG1#) 2.4 0.6 1.8
assign (resid  18 and name   HN) (resid  18 and name HG1#) 2.4 0.6 1.8
assign (resid  19 and name   HA) (resid  19 and name  HB1) 2.4 0.6 0.3
assign (resid  19 and name   HA) (resid  19 and name  HB2) 2.4 0.6 0.3
assign (resid  19 and name   HN) (resid  18 and name   HN) 2.4 0.6 0.3 
assign (resid  19 and name   HN) (resid  19 and name  HB2) 2.4 0.6 0.3
assign (resid  19 and name  HB1) (resid  19 and name  HB2) 2.4 0.6 0.3
assign (resid  20 and name   HN) (resid  20 and name  HA1) 2.4 0.6 0.3
assign (resid  21 and name   HA) (resid  21 and name  HG#) 2.4 0.6 1.3
assign (resid  21 and name   HN) (resid  20 and name  HA#) 2.4 0.6 1.3 
assign (resid  21 and name   HN) (resid  21 and name  HA#) 2.4 0.6 0.3
assign (resid  22 and name   HA) (resid  22 and name  HB#) 2.4 0.6 1.3
assign (resid  22 and name   HA) (resid  22 and name  HG#) 2.4 0.6 1.3
assign (resid  22 and name   HN) (resid  22 and name   HA) 2.4 0.6 0.3
assign (resid  22 and name   HN) (resid  22 and name  HB#) 2.4 0.6 1.3
assign (resid  22 and name  HD#) (resid  22 and name  HB#) 2.4 0.6 2.3
assign (resid  22 and name  HD#) (resid  22 and name  HG#) 2.4 0.6 2.3
assign (resid  24 and name  HD#) (resid  24 and name  HB1) 2.4 0.6 2.5
assign (resid  24 and name  HE#) (resid  24 and name  HD#) 2.4 0.6 4.7
assign (resid  25 and name   HA) (resid  25 and name  HB#) 2.4 0.6 1.3
assign (resid  25 and name   HN) (resid  25 and name   HA) 2.4 0.6 0.3
assign (resid  25 and name   HN) (resid  25 and name  HB#) 2.4 0.6 1.3
assign (resid  25 and name  HD#) (resid  25 and name  HB#) 2.4 0.6 3.5
assign (resid  25 and name  HD#) (resid  25 and name  HE#) 2.4 0.6 4.7
assign (resid  26 and name   HN) (resid  26 and name   HA) 2.4 0.6 0.3
assign (resid  26 and name  HD#) (resid  26 and name   HA) 2.4 0.6 2.5
assign (resid  26 and name  HD#) (resid  26 and name  HB#) 2.4 0.6 3.5
assign (resid  26 and name  HD#) (resid  26 and name  HE#) 2.4 0.6 4.7
assign (resid  27 and name   HA) (resid  28 and name  HD#) 2.4 0.6 1.3 
assign (resid  27 and name   HB) (resid  27 and name  HG#) 2.4 0.6 0.3
assign (resid  27 and name   HN) (resid  27 and name   HA) 2.4 0.6 0.3
assign (resid  28 and name   HA) (resid  28 and name  HB#) 2.4 0.6 1.3
assign (resid  28 and name  HB#) (resid  28 and name  HG#) 2.4 0.6 2.3
assign (resid  28 and name  HD#) (resid  28 and name  HB1) 2.4 0.6 1.3
assign (resid  29 and name   HA) (resid  29 and name  HB#) 2.4 0.6 1.3
assign (resid  29 and name   HN) (resid  28 and name   HA) 2.4 0.6 0.3 
assign (resid  29 and name   HN) (resid  29 and name   HA) 2.4 0.6 0.3
assign (resid  30 and name   HB) (resid  30 and name  HG#) 2.4 0.6 0.3
assign (resid  30 and name   HN) (resid  30 and name   HA) 2.4 0.6 0.3
assign (resid  31 and name   HA) (resid  31 and name  HB1) 2.4 0.6 0.3
assign (resid  31 and name   HN) (resid  31 and name   HA) 2.4 0.6 0.3
assign (resid  32 and name   HN) (resid  31 and name  HB#) 2.4 0.6 1.3
assign (resid  32 and name   HN) (resid  32 and name   HA) 2.4 0.6 0.3
assign (resid  32 and name   HN) (resid  32 and name  HB#) 2.4 0.6 1.3
assign (resid  33 and name   HA) (resid  33 and name  HB1) 2.4 0.6 0.3
assign (resid  33 and name  HE#) (resid  33 and name  HD#) 2.4 0.6 4.7
assign (resid  34 and name  HD#) (resid  34 and name  HG#) 2.4 0.6 2.3
assign (resid  35 and name   HN) (resid  35 and name  HA#) 2.4 0.6 1.3
assign (resid  36 and name   HA) (resid  36 and name  HB1) 2.4 0.6 0.3
assign (resid  36 and name   HN) (resid  35 and name  HA#) 2.4 0.6 1.3 
assign (resid  37 and name   HB) (resid  37 and name  HG#) 2.4 0.6 3.6
assign (resid  37 and name   HN) (resid  36 and name   HA) 2.4 0.6 0.3 
assign (resid  37 and name   HN) (resid  37 and name   HA) 2.4 0.6 0.3
assign (resid  37 and name   HN) (resid  37 and name  HG#) 2.4 0.6 3.6
assign (resid  39 and name   HN) (resid  39 and name   HA) 2.4 0.6 0.3
assign (resid  41 and name   HN) (resid  40 and name  HA#) 2.4 0.6 1.3 
assign (resid  41 and name HG1#) (resid  41 and name  HD#) 2.4 0.6 2.8
assign (resid  42 and name   HA) (resid  42 and name   HB) 2.4 0.6 0.3
assign (resid  42 and name   HA) (resid  42 and name  HG#) 2.4 0.6 3.6
assign (resid  43 and name   HN) (resid  43 and name   HA) 2.4 0.6 0.3
assign (resid  43 and name   HN) (resid  43 and name  HB#) 2.4 0.6 1.3
assign (resid  43 and name  HG#) (resid  43 and name  HB#) 2.4 0.6 2.3
assign (resid  43 and name  HG#) (resid  43 and name  HB#) 2.4 0.6 2.3
assign (resid  44 and name   HA) (resid  44 and name  HB#) 2.4 0.6 1.3
assign (resid  44 and name   HN) (resid  43 and name  HB#) 2.4 0.6 1.3 
assign (resid  46 and name   HA) (resid  46 and name  HB1) 2.4 0.6 0.3
assign (resid  47 and name   HA) (resid  47 and name  HG#) 2.4 0.6 0.3
assign (resid  47 and name   HB) (resid  47 and name  HG#) 2.4 0.6 0.3
assign (resid  48 and name   HA) (resid  48 and name  HB1) 2.4 0.6 0.3
assign (resid  49 and name   HB) (resid  49 and name  HD#) 2.4 0.6 1.8
assign (resid  49 and name   HB) (resid  49 and name  HG#) 2.4 0.6 1.3
assign (resid  49 and name   HN) (resid  48 and name   HA) 3.0 1.2 0.5 
assign (resid  49 and name   HN) (resid  49 and name   HB) 3.0 1.2 0.5
assign (resid  49 and name  HG#) (resid  49 and name  HD#) 2.4 0.6 2.8
assign (resid  51 and name   HA) (resid  51 and name  HB1) 2.4 0.6 0.3
assign (resid  51 and name   HA) (resid  51 and name  HB2) 2.4 0.6 0.3
assign (resid  51 and name   HN) (resid  50 and name   HA) 2.4 0.6 0.3 
assign (resid  51 and name   HN) (resid  54 and name  HB#) 2.4 0.6 1.3
assign (resid  52 and name   HA) (resid  52 and name HD1#) 2.4 0.6 1.8
assign (resid  52 and name   HN) (resid  51 and name   HA) 2.4 0.6 0.3 
assign (resid  52 and name   HN) (resid  52 and name   HA) 2.4 0.6 0.3
assign (resid  52 and name   HN) (resid  52 and name  HB#) 2.4 0.6 1.3
assign (resid  52 and name  HB#) (resid  52 and name  HD#) 2.4 0.6 4.6
assign (resid  53 and name   HA) (resid  53 and name  HB1) 2.4 0.6 0.3 
assign (resid  53 and name   HN) (resid  52 and name  HB#) 2.4 0.6 1.3 
assign (resid  53 and name   HN) (resid  53 and name  HB1) 2.4 0.6 0.3
assign (resid  53 and name   HN) (resid  53 and name  HB2) 2.4 0.6 0.3
assign (resid  53 and name  HD#) (resid  53 and name  HB1) 2.4 0.6 2.5
assign (resid  53 and name  HD#) (resid  53 and name  HE#) 2.4 0.6 4.7
assign (resid  54 and name   HA) (resid  54 and name  HB1) 2.4 0.6 0.3
assign (resid  54 and name   HN) (resid  55 and name   HN) 2.4 0.6 0.3 
assign (resid  54 and name  HB#) (resid  54 and name  HG#) 2.4 0.6 2.3
assign (resid  55 and name   HA) (resid  55 and name  HD#) 2.4 0.6 3.6
assign (resid  55 and name   HG) (resid  55 and name  HD#) 2.4 0.6 3.6
assign (resid  55 and name   HN) (resid  55 and name   HG) 2.4 0.6 0.3
assign (resid  55 and name  HB#) (resid  55 and name  HD#) 2.4 0.6 4.6
assign (resid  56 and name   HA) (resid  56 and name  HB1) 2.4 0.6 0.3
assign (resid  56 and name  HG#) (resid  56 and name  HB#) 2.4 0.6 2.3
assign (resid  57 and name   HN) (resid  56 and name   HN) 2.4 0.6 0.3 
assign (resid  57 and name   HN) (resid  57 and name  HB#) 2.4 0.6 1.3
assign (resid  58 and name   HN) (resid  58 and name  HB2) 2.4 0.6 0.3
assign (resid  60 and name   HA) (resid  60 and name  HB1) 2.4 0.6 0.3
assign (resid   1 and name   HA) (resid   1 and name  HB#) 3.0 1.2 1.5
assign (resid   1 and name  HD#) (resid   1 and name  HB#) 3.0 1.2 3.7 
assign (resid   2 and name   HN) (resid   2 and name   HB) 3.0 1.2 0.5 
assign (resid   2 and name   HN) (resid   2 and name  HG#) 3.0 1.2 3.8 
assign (resid   3 and name   HN) (resid   2 and name  HG#) 3.0 1.2 3.8 
assign (resid   3 and name   HN) (resid   3 and name   HA) 3.0 1.2 0.5
assign (resid   3 and name   HN) (resid   4 and name   HN) 3.0 1.2 0.5 
assign (resid   3 and name  HD#) (resid   3 and name  HB#) 3.0 1.2 1.5 
assign (resid   4 and name   HA) (resid   4 and name  HB2) 3.0 1.2 0.5
assign (resid   4 and name   HA) (resid  49 and name  HD#) 3.0 1.2 2.0 
assign (resid   4 and name   HN) (resid   3 and name  HB#) 3.0 1.2 1.5 
assign (resid   4 and name   HN) (resid   4 and name   HA) 3.0 1.2 0.5
assign (resid   4 and name   HN) (resid   4 and name  HB2) 3.0 1.2 0.5
assign (resid   4 and name  HG#) (resid   4 and name  HB2) 3.0 1.2 1.5
assign (resid   5 and name   HA) (resid   5 and name  HB#) 3.0 1.2 1.5
assign (resid   5 and name   HN) (resid   4 and name   HA) 3.0 1.2 0.5 
assign (resid   5 and name   HN) (resid   4 and name  HB1) 3.0 1.2 0.5 
assign (resid   5 and name   HN) (resid   4 and name  HB2) 3.0 1.2 0.5 
assign (resid   5 and name   HN) (resid   5 and name   HA) 3.0 1.2 0.5
assign (resid   5 and name   HN) (resid   5 and name  HB1) 3.0 1.2 0.5
assign (resid   5 and name   HN) (resid   5 and name  HB2) 3.0 1.2 0.5
assign (resid   5 and name  HE1) (resid  48 and name   HA) 3.0 1.2 0.5 
assign (resid   6 and name   HA) (resid   6 and name   HG) 3.0 1.2 0.5
assign (resid   6 and name   HA) (resid   6 and name  HB2) 3.0 1.2 0.5
assign (resid   6 and name   HA) (resid   6 and name  HB1) 3.0 1.2 0.5
assign (resid   6 and name   HA) (resid   6 and name HD2#) 3.0 1.2 2.0
assign (resid   6 and name   HG) (resid   6 and name  HB1) 3.0 1.2 0.5
assign (resid   6 and name  HB2) (resid   6 and name  HD#) 3.0 1.2 3.8
assign (resid   6 and name  HB1) (resid   6 and name  HD#) 3.0 1.2 3.8
assign (resid   7 and name   HN) (resid   6 and name HD2#) 3.0 1.2 2.0 
assign (resid   7 and name   HN) (resid   7 and name   HA) 3.0 1.2 0.5
assign (resid   7 and name   HN) (resid   7 and name  HB#) 3.0 1.2 1.5
assign (resid   8 and name   HN) (resid   7 and name   HA) 3.0 1.2 0.5 
assign (resid   8 and name   HN) (resid   8 and name  HA#) 3.0 1.2 1.5
assign (resid   9 and name   HA) (resid  12 and name   HB) 3.0 1.2 0.5 
assign (resid   9 and name   HN) (resid   8 and name  HA#) 3.0 1.2 1.5 
assign (resid  10 and name   HA) (resid  13 and name  HB#) 3.0 1.2 1.5 
assign (resid  10 and name   HN) (resid   9 and name   HA) 3.0 1.2 0.5 
assign (resid  10 and name   HN) (resid  10 and name   HA) 3.0 1.2 0.5
assign (resid  10 and name   HN) (resid  10 and name  HB#) 3.0 1.2 1.5
assign (resid  10 and name  HB#) (resid   6 and name  HD#) 3.0 1.2 4.8 
assign (resid  11 and name   HA) (resid   6 and name  HB2) 4.0 2.2 1.0 
assign (resid  11 and name   HA) (resid   6 and name  HD#) 3.0 1.2 3.8 
assign (resid  11 and name   HA) (resid  11 and name   HG) 3.0 1.2 0.5
assign (resid  11 and name   HA) (resid  11 and name  HB1) 3.0 1.2 0.5
assign (resid  11 and name   HA) (resid  11 and name  HB2) 3.0 1.2 0.5
assign (resid  11 and name   HA) (resid  11 and name  HD#) 3.0 1.2 3.8
assign (resid  11 and name   HA) (resid  14 and name  HB#) 3.0 1.2 2.0 
assign (resid  11 and name   HG) (resid  15 and name  HD#) 3.0 1.2 3.8 
assign (resid  11 and name   HN) (resid  10 and name   HN) 3.0 1.2 0.5 
assign (resid  11 and name   HN) (resid  11 and name   HA) 3.0 1.2 0.5
assign (resid  11 and name   HN) (resid  11 and name  HB1) 3.0 1.2 0.5
assign (resid  11 and name   HN) (resid  11 and name  HB2) 3.0 1.2 0.5
assign (resid  11 and name  HB#) (resid  11 and name  HD#) 3.0 1.2 4.8
assign (resid  11 and name  HB#) (resid  11 and name   HG) 3.0 1.2 1.5
assign (resid  12 and name   HA) (resid  12 and name   HB) 3.0 1.2 0.5
assign (resid  12 and name   HA) (resid  15 and name  HB#) 3.0 1.2 1.5 
assign (resid  12 and name   HA) (resid  15 and name  HD#) 3.0 1.2 3.8 
assign (resid  12 and name   HN) (resid  12 and name   HA) 3.0 1.2 0.5
assign (resid  12 and name   HN) (resid  12 and name   HB) 3.0 1.2 0.5
assign (resid  12 and name   HN) (resid  13 and name   HN) 3.0 1.2 0.5 
assign (resid  13 and name   HA) (resid  13 and name  HG#) 3.0 1.2 1.5
assign (resid  13 and name   HN) (resid  12 and name   HA) 3.0 1.2 0.5 
assign (resid  13 and name   HN) (resid  13 and name  HG#) 3.0 1.2 1.5
assign (resid  13 and name   HN) (resid  14 and name   HN) 3.0 1.2 0.5 
assign (resid  13 and name  HG#) (resid  13 and name  HB#) 3.0 1.2 2.5
assign (resid  14 and name   HN) (resid  13 and name   HA) 3.0 1.2 0.5
assign (resid  14 and name   HN) (resid  13 and name   HN) 3.0 1.2 0.5 
assign (resid  14 and name   HN) (resid  13 and name  HB#) 3.0 1.2 1.5 
assign (resid  14 and name   HN) (resid  15 and name   HN) 3.0 1.2 0.5 
assign (resid  15 and name   HA) (resid  15 and name HD2#) 3.0 1.2 2.0
assign (resid  15 and name   HA) (resid  18 and name HG1#) 3.0 1.2 2.0 
assign (resid  15 and name   HN) (resid  15 and name   HA) 3.0 1.2 0.5
assign (resid  15 and name   HN) (resid  15 and name   HG) 3.0 1.2 0.5
assign (resid  15 and name   HN) (resid  16 and name   HN) 3.0 1.2 0.5 
assign (resid  16 and name   HN) (resid  15 and name  HB#) 3.0 1.2 1.5 
assign (resid  16 and name   HN) (resid  16 and name   HA) 3.0 1.2 0.5
assign (resid  16 and name   HN) (resid  17 and name   HN) 3.0 1.2 0.5 
assign (resid  16 and name  HD#) (resid  13 and name   HA) 3.0 1.2 2.7 
assign (resid  16 and name  HD#) (resid  16 and name   HA) 3.0 1.2 2.7
assign (resid  16 and name  HD#) (resid  17 and name  HD#) 3.0 1.2 6.0 
assign (resid  16 and name  HE#) (resid  16 and name  HB#) 3.0 1.2 3.7
assign (resid  16 and name  HE#) (resid  17 and name  HD#) 3.0 1.2 6.0 
assign (resid  16 and name  HE#) (resid  17 and name  HD#) 4.0 2.2 6.5 
assign (resid  17 and name   HA) (resid  17 and name   HG) 3.0 1.2 0.5
assign (resid  17 and name   HN) (resid  16 and name   HN) 3.0 1.2 0.5 
assign (resid  17 and name   HN) (resid  16 and name  HB#) 3.0 1.2 1.5 
assign (resid  17 and name   HN) (resid  17 and name  HB1) 3.0 1.2 0.5
assign (resid  17 and name   HN) (resid  18 and name   HN) 3.0 1.2 0.5 
assign (resid  17 and name  HB2) (resid  17 and name  HD#) 3.0 1.2 3.8
assign (resid  17 and name  HB1) (resid  17 and name  HD#) 3.0 1.2 3.8
assign (resid  18 and name   HA) (resid  18 and name HG2#) 3.0 1.2 2.0
assign (resid  18 and name   HN) (resid  17 and name  HB2) 3.0 1.2 0.5 
assign (resid  18 and name   HN) (resid  18 and name   HA) 3.0 1.2 0.5
assign (resid  18 and name   HN) (resid  18 and name  HB#) 3.0 1.2 0.5
assign (resid  18 and name   HN) (resid  18 and name HG2#) 3.0 1.2 2.0
assign (resid  18 and name   HN) (resid  19 and name   HN) 3.0 1.2 0.5 
assign (resid  18 and name  HG#) (resid  55 and name  HD#) 3.0 1.2 7.1 
assign (resid  19 and name   HN) (resid  18 and name   HA) 3.0 1.2 0.5 
assign (resid  19 and name   HN) (resid  18 and name   HB) 3.0 1.2 0.5 
assign (resid  19 and name   HN) (resid  18 and name HG2#) 3.0 1.2 2.0 
assign (resid  19 and name   HN) (resid  19 and name   HA) 3.0 1.2 0.5
assign (resid  19 and name   HN) (resid  19 and name  HB1) 3.0 1.2 0.5
assign (resid  19 and name   HN) (resid  20 and name   HN) 3.0 1.2 0.5 
assign (resid  20 and name  HA#) (resid  21 and name  HB#) 3.0 1.2 2.5
assign (resid  21 and name   HA) (resid  21 and name  HB#) 3.0 1.2 1.5
assign (resid  21 and name   HN) (resid  21 and name  HG#) 3.0 1.2 1.5
assign (resid  22 and name   HA) (resid  22 and name  HD#) 3.0 1.2 1.5
assign (resid  22 and name   HN) (resid  22 and name  HG#) 3.0 1.2 1.5
assign (resid  22 and name   HN) (resid  23 and name   HN) 3.0 1.2 0.5 
assign (resid  22 and name  HB#) (resid  22 and name  HG#) 3.0 1.2 2.5
assign (resid  23 and name   HN) (resid  23 and name  HA#) 3.0 1.2 1.5
assign (resid  24 and name   HA) (resid  24 and name  HB#) 3.0 1.2 1.5
assign (resid  24 and name   HN) (resid  23 and name  HA#) 3.0 1.2 1.5 
assign (resid  24 and name  HD#) (resid  15 and name  HD#) 3.0 1.2 6.0 
assign (resid  24 and name  HD#) (resid  24 and name   HA) 3.0 1.2 2.7
assign (resid  24 and name  HD#) (resid  24 and name  HB2) 3.0 1.2 2.7
assign (resid  25 and name  HD#) (resid  25 and name   HA) 3.0 1.2 2.7
assign (resid  26 and name   HA) (resid  26 and name  HB#) 3.0 1.2 1.5
assign (resid  26 and name   HN) (resid  26 and name  HB#) 3.0 1.2 1.5
assign (resid  27 and name   HA) (resid  27 and name   HB) 3.0 1.2 0.5
assign (resid  27 and name   HA) (resid  27 and name  HG#) 3.0 1.2 0.5
assign (resid  27 and name   HB) (resid  28 and name  HD#) 3.0 1.2 1.5 
assign (resid  27 and name   HN) (resid  27 and name HG2#) 3.0 1.2 2.0
assign (resid  28 and name  HD#) (resid  27 and name  HG#) 3.0 1.2 1.5 
assign (resid  29 and name   HA) (resid  29 and name  HD#) 3.0 1.2 1.5
assign (resid  29 and name   HN) (resid  29 and name  HB#) 3.0 1.2 1.5
assign (resid  29 and name   HN) (resid  29 and name  HG#) 3.0 1.2 1.5
assign (resid  29 and name   HN) (resid  30 and name   HN) 3.0 1.2 0.5 
assign (resid  29 and name  HE#) (resid  29 and name  HD#) 3.0 1.2 2.5
assign (resid  29 and name  HE#) (resid  29 and name  HG#) 3.0 1.2 2.5
assign (resid  30 and name   HA) (resid  30 and name  HG#) 3.0 1.2 0.5
assign (resid  30 and name   HN) (resid  29 and name   HN) 3.0 1.2 0.5 
assign (resid  30 and name   HN) (resid  30 and name   HB) 3.0 1.2 0.5
assign (resid  30 and name   HN) (resid  30 and name HG2#) 3.0 1.2 2.0
assign (resid  31 and name   HA) (resid  31 and name  HB2) 3.0 1.2 0.5
assign (resid  31 and name   HA) (resid  31 and name  HD#) 3.0 1.2 1.5
assign (resid  31 and name   HN) (resid  30 and name   HN) 3.0 1.2 0.5 
assign (resid  31 and name  HD#) (resid  31 and name  HB#) 3.0 1.2 2.5
assign (resid  31 and name  HD#) (resid  31 and name  HG#) 3.0 1.2 2.5
assign (resid  32 and name   HA) (resid  32 and name  HB#) 3.0 1.2 1.5
assign (resid  32 and name   HA) (resid  32 and name  HG1) 3.0 1.2 0.5
assign (resid  32 and name   HN) (resid  32 and name  HG#) 3.0 1.2 1.5
assign (resid  32 and name  HD#) (resid  32 and name  HG#) 3.0 1.2 2.5
assign (resid  33 and name   HA) (resid  33 and name  HB2) 3.0 1.2 0.5
assign (resid  33 and name   HN) (resid  33 and name   HA) 3.0 1.2 0.5
assign (resid  33 and name   HN) (resid  33 and name  HB1) 3.0 1.2 0.5
assign (resid  33 and name   HN) (resid  33 and name  HB2) 3.0 1.2 0.5
assign (resid  33 and name  HD#) (resid  33 and name   HA) 3.0 1.2 2.7
assign (resid  33 and name  HD#) (resid  33 and name  HB#) 3.0 1.2 3.7
assign (resid  34 and name   HA) (resid  34 and name  HB#) 3.0 1.2 1.5
assign (resid  35 and name   HN) (resid  34 and name   HA) 3.0 1.2 0.5 
assign (resid  36 and name   HA) (resid  36 and name  HB2) 3.0 1.2 0.5
assign (resid  36 and name   HN) (resid  35 and name   HN) 3.0 1.2 0.5 
assign (resid  36 and name   HN) (resid  36 and name   HA) 3.0 1.2 0.5
assign (resid  36 and name   HN) (resid  36 and name  HB#) 3.0 1.2 1.5
assign (resid  37 and name   HN) (resid  37 and name   HB) 3.0 1.2 0.5
assign (resid  38 and name   HN) (resid  38 and name   HA) 3.0 1.2 0.5
assign (resid  38 and name   HN) (resid  38 and name  HB#) 3.0 1.2 1.5
assign (resid  38 and name  HD#) (resid  38 and name  HE#) 3.0 1.2 2.5
assign (resid  39 and name   HN) (resid  38 and name   HA) 3.0 1.2 0.5 
assign (resid  39 and name   HN) (resid  39 and name  HB#) 3.0 1.2 1.5
assign (resid  39 and name   HN) (resid  40 and name   HN) 3.0 1.2 0.5 
assign (resid  39 and name  HD#) (resid  39 and name  HB#) 3.0 1.2 2.5
assign (resid  39 and name  HD#) (resid  39 and name  HG#) 3.0 1.2 2.5
assign (resid  40 and name   HN) (resid  39 and name   HA) 3.0 1.2 0.5
assign (resid  41 and name   HA) (resid  41 and name HG1#) 3.0 1.2 1.5
assign (resid  41 and name   HA) (resid  41 and name HG2#) 3.0 1.2 2.0
assign (resid  41 and name   HN) (resid  41 and name   HA) 3.0 1.2 0.5
assign (resid  41 and name   HN) (resid  41 and name   HB) 3.0 1.2 0.5
assign (resid  41 and name   HN) (resid  41 and name HG2#) 3.0 1.2 2.0
assign (resid  42 and name   HN) (resid  41 and name   HA) 3.0 1.2 0.5 
assign (resid  42 and name   HN) (resid  41 and name HG1#) 3.0 1.2 1.5 
assign (resid  42 and name   HN) (resid  41 and name HG2#) 3.0 1.2 2.0 
assign (resid  42 and name   HN) (resid  42 and name   HA) 3.0 1.2 0.5
assign (resid  42 and name   HN) (resid  42 and name   HB) 3.0 1.2 0.5
assign (resid  42 and name   HN) (resid  43 and name   HN) 3.0 1.2 0.5 
assign (resid  43 and name   HN) (resid  42 and name   HA) 3.0 1.2 0.5 
assign (resid  43 and name   HN) (resid  42 and name   HN) 3.0 1.2 0.5 
assign (resid  43 and name   HN) (resid  42 and name  HG#) 3.0 1.2 3.8 
assign (resid  43 and name   HN) (resid  44 and name   HN) 3.0 1.2 0.5 
assign (resid  44 and name   HA) (resid  44 and name  HG#) 3.0 1.2 1.5
assign (resid  44 and name   HN) (resid  44 and name   HA) 3.0 1.2 0.5
assign (resid  44 and name  HG#) (resid  44 and name  HB#) 3.0 1.2 2.5
assign (resid  45 and name   HA) (resid  45 and name  HB1) 3.0 1.2 0.5
assign (resid  45 and name   HA) (resid  45 and name  HB2) 3.0 1.2 0.5
assign (resid  45 and name   HN) (resid  44 and name  HB#) 3.0 1.2 1.5 
assign (resid  45 and name   HN) (resid  45 and name   HA) 3.0 1.2 0.5
assign (resid  45 and name   HN) (resid  45 and name  HB2) 3.0 1.2 0.5
assign (resid  45 and name  HB1) (resid  55 and name  HD#) 3.0 1.2 3.8
assign (resid  46 and name   HA) (resid  46 and name  HB2) 3.0 1.2 0.5
assign (resid  46 and name   HN) (resid  46 and name   HA) 3.0 1.2 0.5
assign (resid  46 and name   HN) (resid  46 and name  HB#) 3.0 1.2 1.5
assign (resid  47 and name   HB) (resid  47 and name   HA) 3.0 1.2 0.5
assign (resid  47 and name   HN) (resid  47 and name   HA) 3.0 1.2 0.5
assign (resid  47 and name   HN) (resid  47 and name   HB) 3.0 1.2 0.5
assign (resid  47 and name   HN) (resid  47 and name HG2#) 3.0 1.2 2.0
assign (resid  47 and name   HN) (resid  48 and name   HN) 3.0 1.2 0.5 
assign (resid  48 and name   HA) (resid  48 and name  HB2) 3.0 1.2 0.5
assign (resid  49 and name   HA) (resid  49 and name   HB) 3.0 1.2 0.5
assign (resid  49 and name   HA) (resid  49 and name  HD#) 3.0 1.2 2.0
assign (resid  49 and name   HA) (resid  49 and name  HG#) 3.0 1.2 1.5
assign (resid  49 and name   HA) (resid  49 and name  HG#) 3.0 1.2 1.5
assign (resid  49 and name   HB) (resid  49 and name  HG#) 3.0 1.2 1.5
assign (resid  49 and name   HN) (resid  49 and name   HA) 3.0 1.2 0.5
assign (resid  49 and name   HN) (resid  49 and name  HD#) 3.0 1.2 2.0
assign (resid  49 and name   HN) (resid  49 and name  HG#) 3.0 1.2 1.5
assign (resid  50 and name   HA) (resid  50 and name  HB1) 3.0 1.2 0.5
assign (resid  50 and name   HN) (resid  49 and name   HA) 3.0 1.2 0.5 
assign (resid  51 and name   HA) (resid  55 and name  HD#) 3.0 1.2 3.8
assign (resid  51 and name   HN) (resid  51 and name   HA) 3.0 1.2 0.5
assign (resid  51 and name   HN) (resid  51 and name  HB1) 3.0 1.2 0.5
assign (resid  51 and name   HN) (resid  51 and name  HB2) 3.0 1.2 0.5
assign (resid  52 and name   HA) (resid  52 and name HD2#) 3.0 1.2 2.0
assign (resid  52 and name   HA) (resid  55 and name  HB#) 3.0 1.2 1.5 
assign (resid  52 and name   HG) (resid  52 and name  HD#) 3.0 1.2 3.8
assign (resid  52 and name   HN) (resid  53 and name   HN) 3.0 1.2 0.5 
assign (resid  53 and name   HA) (resid  53 and name  HB2) 3.0 1.2 0.5
assign (resid  53 and name   HN) (resid  51 and name  HB2) 3.0 1.2 0.5 
assign (resid  53 and name   HN) (resid  52 and name   HN) 3.0 1.2 0.5 
assign (resid  53 and name   HN) (resid  53 and name   HA) 3.0 1.2 0.5
assign (resid  53 and name  HD#) (resid  53 and name   HA) 3.0 1.2 2.7
assign (resid  53 and name  HD#) (resid  53 and name  HB2) 3.0 1.2 2.7
assign (resid  54 and name   HA) (resid  54 and name  HB2) 3.0 1.2 0.5
assign (resid  54 and name   HA) (resid  54 and name  HG#) 3.0 1.2 1.5
assign (resid  54 and name   HA) (resid  57 and name  HB#) 3.0 1.2 1.5  
assign (resid  54 and name   HN) (resid  53 and name  HB1) 3.0 1.2 0.5  
assign (resid  54 and name   HN) (resid  54 and name   HA) 3.0 1.2 0.5
assign (resid  54 and name   HN) (resid  54 and name  HB#) 3.0 1.2 1.5
assign (resid  54 and name   HN) (resid  54 and name  HG#) 3.0 1.2 1.5
assign (resid  54 and name HE21) (resid  54 and name  HB#) 3.0 1.2 1.5
assign (resid  55 and name   HA) (resid  15 and name  HD#) 3.0 1.2 3.8  
assign (resid  55 and name   HA) (resid  55 and name   HG) 3.0 1.2 0.5
assign (resid  55 and name   HA) (resid  55 and name  HB#) 3.0 1.2 1.5
assign (resid  55 and name   HN) (resid  52 and name   HA) 3.0 1.2 0.5  
assign (resid  55 and name   HN) (resid  54 and name  HB#) 3.0 1.2 1.5  
assign (resid  55 and name   HN) (resid  54 and name  HG#) 3.0 1.2 1.5  
assign (resid  55 and name   HN) (resid  55 and name   HA) 3.0 1.2 0.5
assign (resid  55 and name   HN) (resid  55 and name  HB1) 3.0 1.2 0.5
assign (resid  55 and name   HN) (resid  55 and name  HB2) 3.0 1.2 0.5
assign (resid  55 and name   HN) (resid  55 and name  HD#) 3.0 1.2 3.8
assign (resid  56 and name   HA) (resid  56 and name  HB2) 3.0 1.2 0.5
assign (resid  56 and name   HA) (resid  56 and name  HG#) 3.0 1.2 1.5
assign (resid  56 and name   HN) (resid  55 and name   HA) 3.0 1.2 0.5  
assign (resid  56 and name   HN) (resid  55 and name  HB#) 3.0 1.2 1.5  
assign (resid  56 and name   HN) (resid  56 and name  HB#) 3.0 1.2 1.5
assign (resid  56 and name   HN) (resid  56 and name  HG#) 3.0 1.2 1.5
assign (resid  56 and name   HN) (resid  57 and name   HN) 3.0 1.2 0.5  
assign (resid  57 and name   HA) (resid  57 and name  HB#) 3.0 1.2 1.5
assign (resid  57 and name   HN) (resid  56 and name  HB#) 3.0 1.2 1.5  
assign (resid  57 and name   HN) (resid  57 and name   HA) 3.0 1.2 0.5
assign (resid  58 and name   HA) (resid  58 and name  HB#) 3.0 1.2 1.5
assign (resid  58 and name   HN) (resid  58 and name   HA) 3.0 1.2 0.5
assign (resid  58 and name  HD#) (resid  58 and name   HA) 3.0 1.2 2.7
assign (resid  58 and name  HD#) (resid  58 and name  HB#) 3.0 1.2 3.7
assign (resid  58 and name  HE#) (resid  55 and name   HA) 3.0 1.2 2.7  
assign (resid  58 and name  HE#) (resid  55 and name  HD#) 3.0 1.2 6.0  
assign (resid  59 and name   HA) (resid  59 and name  HB1) 3.0 1.2 0.5
assign (resid  59 and name   HA) (resid  59 and name  HB2) 3.0 1.2 0.5
assign (resid  59 and name   HN) (resid  58 and name   HN) 3.0 1.2 0.5  
assign (resid  59 and name   HN) (resid  59 and name   HA) 3.0 1.2 0.5
assign (resid  59 and name   HN) (resid  59 and name  HB#) 3.0 1.2 1.5
assign (resid  60 and name   HN) (resid  60 and name   HA) 3.0 1.2 0.5
assign (resid  60 and name   HN) (resid  60 and name  HB#) 3.0 1.2 1.5
assign (resid   1 and name  HD#) (resid   1 and name   HA) 4.0 2.2 3.2  
assign (resid   1 and name  HE#) (resid   1 and name  HD#) 4.0 2.2 5.4  
assign (resid   2 and name   HN) (resid   4 and name  HG#) 4.0 2.2 2.0  
assign (resid   3 and name   HA) (resid   1 and name  HE#) 4.0 2.2 3.2  
assign (resid   3 and name   HN) (resid   2 and name   HB) 4.0 2.2 1.0  
assign (resid   4 and name   HA) (resid   4 and name  HG#) 4.0 2.2 2.0  
assign (resid   4 and name   HN) (resid   4 and name  HB1) 4.0 2.2 1.0  
assign (resid   4 and name   HN) (resid   4 and name  HG2) 4.0 2.2 1.0  
assign (resid   4 and name   HN) (resid  49 and name  HG#) 4.0 2.2 2.0  
assign (resid   4 and name  HG#) (resid   6 and name  HD#) 4.0 2.2 5.3
assign (resid   5 and name   HA) (resid   4 and name  HB1) 4.0 2.2 1.0  
assign (resid   5 and name   HA) (resid   6 and name   HG) 4.0 2.2 1.0
assign (resid   5 and name   HA) (resid   6 and name  HD#) 4.0 2.2 4.3
assign (resid   5 and name   HA) (resid  49 and name  HD#) 4.0 2.2 2.5  
assign (resid   5 and name   HN) (resid   4 and name   HN) 4.0 2.2 1.0  
assign (resid   5 and name   HN) (resid   5 and name  HD2) 4.0 2.2 1.0  
assign (resid   5 and name  HD2) (resid   5 and name  HB2) 4.0 2.2 2.0  
assign (resid   5 and name  HD2) (resid  49 and name  HD#) 4.0 2.2 2.5  
assign (resid   5 and name  HE1) (resid  49 and name  HD#) 4.0 2.2 2.5  
assign (resid   5 and name  HE1) (resid  49 and name  HG#) 4.0 2.2 2.0  
assign (resid   6 and name   HN) (resid   5 and name  HB#) 4.0 2.2 2.0  
assign (resid   6 and name   HN) (resid   6 and name  HB#) 4.0 2.2 2.0  
assign (resid   6 and name  HB2) (resid   6 and name   HG) 4.0 2.2 1.0  
assign (resid   7 and name   HN) (resid   5 and name  HB2) 4.0 2.2 2.0  
assign (resid   9 and name   HN) (resid   9 and name   HA) 4.0 2.2 1.0  
assign (resid  10 and name   HN) (resid   9 and name   HN) 4.0 2.2 1.0  
assign (resid  10 and name   HN) (resid   9 and name  HB#) 4.0 2.2 2.0  
assign (resid  10 and name  HD2) (resid  10 and name   HA) 4.0 2.2 1.0  
assign (resid  10 and name  HD2) (resid  10 and name  HB1) 4.0 2.2 1.0  
assign (resid  10 and name  HD2) (resid  10 and name  HB2) 4.0 2.2 1.0  
assign (resid  11 and name   HA) (resid   6 and name   HG) 4.0 2.2 1.0  
assign (resid  11 and name   HA) (resid   6 and name  HB1) 4.0 2.2 1.0  
assign (resid  11 and name   HN) (resid  10 and name   HA) 4.0 2.2 1.0  
assign (resid  12 and name   HA) (resid  15 and name   HG) 4.0 2.2 1.0  
assign (resid  12 and name   HN) (resid   9 and name   HA) 4.0 2.2 1.0  
assign (resid  12 and name   HN) (resid  11 and name  HB1) 4.0 2.2 2.0  
assign (resid  13 and name   HN) (resid  17 and name  HD#) 4.0 2.2 4.3  
assign (resid  14 and name   HA) (resid  17 and name  HB#) 4.0 2.2 2.0
assign (resid  15 and name   HA) (resid  18 and name   HB) 4.0 2.2 1.0
assign (resid  15 and name   HN) (resid  11 and name  HD#) 4.0 2.2 4.3  
assign (resid  15 and name   HN) (resid  12 and name   HA) 4.0 2.2 1.0  
assign (resid  15 and name   HN) (resid  14 and name   HA) 4.0 2.2 1.0  
assign (resid  15 and name  HB#) (resid  15 and name  HD#) 4.0 2.2 5.3  
assign (resid  16 and name   HA) (resid  19 and name  HB2) 4.0 2.2 1.0
assign (resid  16 and name   HN) (resid  18 and name HG2#) 4.0 2.2 2.5  
assign (resid  16 and name  HD#) (resid  17 and name  HG#) 4.0 2.2 3.2  
assign (resid  16 and name  HE#) (resid  16 and name   HA) 4.0 2.2 3.2
assign (resid  16 and name  HE#) (resid  19 and name  HB2) 4.0 2.2 3.2
assign (resid  17 and name   HN) (resid  17 and name   HG) 4.0 2.2 1.0  
assign (resid  17 and name   HN) (resid  17 and name  HD#) 4.0 2.2 4.3  
assign (resid  18 and name   HN) (resid  15 and name   HA) 4.0 2.2 1.0
assign (resid  18 and name   HN) (resid  17 and name   HA) 4.0 2.2 1.0  
assign (resid  18 and name   HN) (resid  17 and name  HB1) 4.0 2.2 1.0  
assign (resid  19 and name   HN) (resid  18 and name HG1#) 4.0 2.2 2.5  
assign (resid  19 and name  HB2) (resid  15 and name  HD#) 4.0 2.2 4.3  
assign (resid  20 and name   HN) (resid  19 and name  HB2) 4.0 2.2 1.0  
assign (resid  21 and name   HN) (resid  21 and name   HA) 4.0 2.2 1.0  
assign (resid  21 and name   HN) (resid  21 and name  HB#) 4.0 2.2 2.0  
assign (resid  21 and name   HN) (resid  22 and name   HN) 4.0 2.2 1.0  
assign (resid  22 and name   HN) (resid  21 and name   HN) 4.0 2.2 1.0  
assign (resid  23 and name   HN) (resid  22 and name   HA) 4.0 2.2 1.0  
assign (resid  24 and name   HN) (resid  24 and name  HB#) 4.0 2.2 2.0  
assign (resid  24 and name   HN) (resid  24 and name  HD#) 4.0 2.2 3.2  
assign (resid  24 and name  HD#) (resid  16 and name   HA) 4.0 2.2 3.2  
assign (resid  24 and name  HD#) (resid  19 and name  HB1) 4.0 2.2 3.2  
assign (resid  24 and name  HD#) (resid  23 and name  HA#) 4.0 2.2 4.2  
assign (resid  24 and name  HD#) (resid  25 and name   HA) 4.0 2.2 3.2  
assign (resid  24 and name  HE#) (resid  12 and name   HA) 4.0 2.2 3.2  
assign (resid  24 and name  HE#) (resid  12 and name  HG#) 4.0 2.2 6.5  
assign (resid  24 and name  HE#) (resid  15 and name  HB#) 4.0 2.2 4.2  
assign (resid  24 and name  HE#) (resid  15 and name  HD#) 4.0 2.2 6.5  
assign (resid  24 and name  HE#) (resid  16 and name   HA) 4.0 2.2 3.2  
assign (resid  24 and name  HE#) (resid  16 and name  HB#) 4.0 2.2 4.2  
assign (resid  24 and name  HE#) (resid  22 and name  HD#) 4.0 2.2 4.2
assign (resid  24 and name  HE#) (resid  23 and name  HA#) 4.0 2.2 4.2  
assign (resid  24 and name  HE#) (resid  26 and name  HB#) 4.0 2.2 4.2
assign (resid  25 and name   HN) (resid  24 and name   HN) 4.0 2.2 1.0  
assign (resid  25 and name   HN) (resid  24 and name  HB#) 4.0 2.2 2.0  
assign (resid  25 and name   HN) (resid  25 and name  HD#) 4.0 2.2 3.2  
assign (resid  25 and name   HN) (resid  27 and name   HN) 4.0 2.2 1.0  
assign (resid  25 and name  HE#) (resid  25 and name   HA) 4.0 2.2 3.2  
assign (resid  26 and name  HB#) (resid  15 and name  HD#) 4.0 2.2 5.3  
assign (resid  26 and name  HB#) (resid  41 and name  HD#) 4.0 2.2 3.5  
assign (resid  26 and name  HD#) (resid  12 and name  HG#) 4.0 2.2 6.5  
assign (resid  26 and name  HD#) (resid  15 and name   HG) 4.0 2.2 3.2  
assign (resid  26 and name  HD#) (resid  15 and name  HD#) 4.0 2.2 6.5  
assign (resid  26 and name  HD#) (resid  25 and name   HA) 4.0 2.2 3.2  
assign (resid  26 and name  HD#) (resid  41 and name  HD#) 4.0 2.2 4.7  
assign (resid  58 and name  HE#) (resid  55 and name  HB2) 4.0 2.2 4.2  
assign (resid  26 and name  HE#) (resid  15 and name  HD#) 4.0 2.2 6.5  
assign (resid  26 and name  HE#) (resid  26 and name   HA) 4.0 2.2 3.2  
assign (resid  26 and name  HE#) (resid  26 and name  HB#) 4.0 2.2 4.2  
assign (resid  26 and name  HE#) (resid  28 and name   HA) 4.0 2.2 3.2  
assign (resid  26 and name  HE#) (resid  28 and name  HB#) 4.0 2.2 4.2  
assign (resid  26 and name  HE#) (resid  28 and name  HD#) 4.0 2.2 4.2  
assign (resid  26 and name  HE#) (resid  41 and name  HD#) 4.0 2.2 4.7  
assign (resid  26 and name  HE#) (resid  41 and name HG2#) 4.0 2.2 4.7  
assign (resid  26 and name  HE#) (resid  55 and name   HA) 4.0 2.2 3.2  
assign (resid  27 and name   HA) (resid  28 and name  HB#) 4.0 2.2 2.0  
assign (resid  27 and name   HN) (resid  25 and name  HB#) 4.0 2.2 2.0
assign (resid  27 and name   HN) (resid  26 and name   HN) 4.0 2.2 1.0  
assign (resid  27 and name   HN) (resid  27 and name   HB) 4.0 2.2 1.0  
assign (resid  28 and name   HA) (resid  28 and name  HD#) 4.0 2.2 2.0  
assign (resid  28 and name  HD#) (resid  28 and name  HB2) 4.0 2.2 2.0  
assign (resid  29 and name  HB#) (resid  29 and name  HD#) 4.0 2.2 3.0
assign (resid  29 and name  HB#) (resid  29 and name  HG#) 4.0 2.2 3.0  
assign (resid  30 and name   HN) (resid  29 and name  HB#) 4.0 2.2 2.0  
assign (resid  31 and name   HN) (resid  30 and name   HB) 4.0 2.2 1.0  
assign (resid  31 and name   HN) (resid  31 and name  HB#) 4.0 2.2 2.0  
assign (resid  31 and name   HN) (resid  31 and name  HG#) 4.0 2.2 2.0  
assign (resid  32 and name   HA) (resid  32 and name  HG2) 4.0 2.2 1.0
assign (resid  32 and name   HN) (resid  31 and name   HN) 4.0 2.2 1.0  
assign (resid  32 and name  HD#) (resid  32 and name  HB#) 4.0 2.2 3.0  
assign (resid  33 and name   HA) (resid  34 and name  HD#) 4.0 2.2 2.0   
assign (resid  33 and name   HA) (resid  34 and name  HG#) 4.0 2.2 2.0  
assign (resid  33 and name  HD#) (resid  34 and name  HD#) 4.0 2.2 4.2  
assign (resid  34 and name   HA) (resid  34 and name  HD#) 4.0 2.2 2.0  
assign (resid  34 and name  HD#) (resid  33 and name  HB#) 4.0 2.2 3.0  
assign (resid  34 and name  HD#) (resid  34 and name  HB#) 4.0 2.2 3.0  
assign (resid  36 and name   HN) (resid  37 and name   HN) 4.0 2.2 1.0  
assign (resid  37 and name   HN) (resid  38 and name   HN) 4.0 2.2 1.0  
assign (resid  38 and name   HA) (resid  38 and name  HG#) 4.0 2.2 2.0  
assign (resid  38 and name   HN) (resid  37 and name   HB) 4.0 2.2 1.0  
assign (resid  39 and name   HN) (resid  43 and name   HN) 4.0 2.2 1.0  
assign (resid  40 and name   HN) (resid  40 and name  HA#) 4.0 2.2 2.0  
assign (resid  41 and name   HN) (resid  39 and name   HN) 4.0 2.2 1.0  
assign (resid  41 and name   HN) (resid  41 and name HG1#) 4.0 2.2 2.0  
assign (resid  42 and name   HA) (resid  11 and name  HD#) 4.0 2.2 4.3  
assign (resid  43 and name   HA) (resid  47 and name HG2#) 4.0 2.2 2.5  
assign (resid  43 and name   HN) (resid  42 and name   HB) 4.0 2.2 1.0  
assign (resid  43 and name   HN) (resid  43 and name  HG#) 4.0 2.2 2.0  
assign (resid  43 and name  HG#) (resid  41 and name HG1#) 4.0 2.2 3.0
assign (resid  43 and name  HG#) (resid  41 and name HG2#) 4.0 2.2 3.5
assign (resid  43 and name  HG#) (resid  42 and name   HB) 4.0 2.2 2.0
assign (resid  44 and name   HN) (resid  43 and name   HA) 4.0 2.2 1.0  
assign (resid  44 and name   HN) (resid  44 and name  HG#) 4.0 2.2 2.0  
assign (resid  45 and name   HA) (resid  49 and name   HA) 4.0 2.2 1.0  
assign (resid  45 and name   HA) (resid  50 and name  HB#) 4.0 2.2 2.0  
assign (resid  45 and name   HN) (resid  44 and name   HA) 4.0 2.2 1.0  
assign (resid  45 and name   HN) (resid  45 and name  HB1) 4.0 2.2 1.0  
assign (resid  45 and name  HB1) (resid   6 and name  HB2) 4.0 2.2 1.0  
assign (resid  46 and name   HN) (resid   7 and name  HB#) 4.0 2.2 2.0  
assign (resid  46 and name  HB#) (resid  49 and name  HG#) 4.0 2.2 3.0  
assign (resid  3 and name  HB#) (resid  49 and name  HG#) 4.0 2.2 3.0  
assign (resid  47 and name   HN) (resid   5 and name  HB#) 4.0 2.2 2.0  
assign (resid  47 and name   HN) (resid  45 and name   HN) 4.0 2.2 1.0  
assign (resid  48 and name   HA) (resid  49 and name  HD#) 4.0 2.2 2.5  
assign (resid  48 and name   HA) (resid  49 and name  HG#) 4.0 2.2 2.0  
assign (resid  48 and name   HN) (resid  45 and name   HA) 4.0 2.2 1.0  
assign (resid  48 and name   HN) (resid  47 and name   HB) 4.0 2.2 1.0  
assign (resid  48 and name   HN) (resid  48 and name   HA) 4.0 2.2 1.0  
assign (resid  48 and name   HN) (resid  48 and name  HB#) 4.0 2.2 2.0  
assign (resid  49 and name   HN) (resid  48 and name   HN) 4.0 2.2 1.0  
assign (resid  50 and name   HA) (resid  50 and name  HB2) 4.0 2.2 1.0  
assign (resid  51 and name   HN) (resid  50 and name  HB#) 4.0 2.2 2.0  
assign (resid  51 and name   HN) (resid  54 and name  HG#) 4.0 2.2 2.0  
assign (resid  52 and name   HA) (resid  55 and name  HG#) 4.0 2.2 1.0  
assign (resid  52 and name   HN) (resid  51 and name  HB1) 4.0 2.2 1.0  
assign (resid  53 and name   HA) (resid  52 and name   HG) 4.0 2.2 1.0  
assign (resid  53 and name   HN) (resid  51 and name   HA) 4.0 2.2 1.0  
assign (resid  53 and name   HN) (resid  51 and name  HB1) 4.0 2.2 1.0  
assign (resid  53 and name   HN) (resid  52 and name   HA) 4.0 2.2 1.0  
assign (resid  53 and name   HN) (resid  53 and name  HE#) 4.0 2.2 3.2  
assign (resid  53 and name  HB#) (resid  15 and name  HD#) 4.0 2.2 5.3
assign (resid  53 and name  HB#) (resid  52 and name HD1#) 4.0 2.2 3.5  
assign (resid  53 and name  HB#) (resid  52 and name HD2#) 4.0 2.2 3.5  
assign (resid  53 and name  HD#) (resid  54 and name   HA) 4.0 2.2 3.2  
assign (resid  53 and name  HD#) (resid  54 and name  HB#) 4.0 2.2 4.2  
assign (resid  54 and name   HN) (resid  51 and name   HN) 4.0 2.2 1.0  
assign (resid  54 and name   HN) (resid  53 and name   HA) 4.0 2.2 1.0  
assign (resid  54 and name   HN) (resid  53 and name  HB2) 4.0 2.2 1.0  
assign (resid  55 and name   HN) (resid  54 and name   HA) 4.0 2.2 1.0  
assign (resid  55 and name  HB#) (resid  18 and name HG1#) 4.0 2.2 3.5
assign (resid  56 and name   HA) (resid  18 and name HG1#) 4.0 2.2 2.5  
assign (resid  56 and name   HN) (resid  54 and name  HB#) 4.0 2.2 2.0  
assign (resid  56 and name   HN) (resid  54 and name  HG#) 4.0 2.2 2.0  
assign (resid  56 and name   HN) (resid  55 and name  HD#) 4.0 2.2 4.3  
assign (resid  56 and name  HB#) (resid  55 and name  HD#) 4.0 2.2 5.3
assign (resid  57 and name   HN) (resid  54 and name   HA) 4.0 2.2 1.0  
assign (resid  57 and name   HN) (resid  54 and name  HG#) 4.0 2.2 2.0  
assign (resid  57 and name   HN) (resid  55 and name   HA) 4.0 2.2 1.0  
assign (resid  57 and name   HN) (resid  57 and name  HD#) 4.0 2.2 1.0  
assign (resid  58 and name   HN) (resid  55 and name   HA) 4.0 2.2 1.0  
assign (resid  58 and name   HN) (resid  58 and name  HB1) 4.0 2.2 1.0  
assign (resid  58 and name  HE#) (resid  58 and name  HD#) 4.0 2.2 5.4  
assign (resid  60 and name   HN) (resid  58 and name  HB1) 4.0 2.2 1.0  



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1           HT1      PHE   1 -22.334  -2.813  -5.374
    2   2H    PHE   1           HT2      PHE   1 -21.612  -4.243  -5.939
    3   3H    PHE   1           HT3      PHE   1 -21.972  -2.985  -7.022
    4    HA   PHE   1           HA       PHE   1 -20.011  -2.761  -4.795
    5   1HB   PHE   1           HB2      PHE   1 -19.429  -4.460  -6.498
    6   2HB   PHE   1           HB1      PHE   1 -19.688  -3.269  -7.772
    7    HD1  PHE   1           HD1      PHE   1 -17.509  -4.287  -4.979
    8    HD2  PHE   1           HD2      PHE   1 -18.104  -1.461  -8.158
    9    HE1  PHE   1           HE1      PHE   1 -15.170  -3.505  -4.720
   10    HE2  PHE   1           HE2      PHE   1 -15.766  -0.677  -7.898
   11    HZ   PHE   1           HZ       PHE   1 -14.299  -1.699  -6.179
   12    H    VAL   2           HN       VAL   2 -19.970  -0.602  -4.303
   13    HA   VAL   2           HA       VAL   2 -20.169   1.373  -6.507
   14    HB   VAL   2           HB       VAL   2 -21.458   2.758  -4.900
   15   1HG1  VAL   2          HG11      VAL   2 -22.522  -0.046  -5.334
   16   2HG1  VAL   2          HG12      VAL   2 -22.688   1.315  -6.443
   17   3HG1  VAL   2          HG13      VAL   2 -23.510   1.344  -4.884
   18   1HG2  VAL   2          HG21      VAL   2 -20.338   1.178  -2.965
   19   2HG2  VAL   2          HG22      VAL   2 -21.952   0.480  -3.080
   20   3HG2  VAL   2          HG23      VAL   2 -21.756   2.193  -2.709
   21    H    ASN   3           HN       ASN   3 -19.081   3.453  -5.987
   22    HA   ASN   3           HA       ASN   3 -17.154   3.423  -3.730
   23   1HB   ASN   3           HB2      ASN   3 -16.105   2.199  -5.626
   24   2HB   ASN   3           HB1      ASN   3 -16.355   3.609  -6.655
   25   1HD2  ASN   3          HD21      ASN   3 -14.574   2.463  -3.778
   26   2HD2  ASN   3          HD22      ASN   3 -13.385   3.673  -3.832
   27    H    GLN   4           HN       GLN   4 -18.523   5.254  -3.117
   28    HA   GLN   4           HA       GLN   4 -18.671   7.631  -4.843
   29   1HB   GLN   4           HB2      GLN   4 -19.370   7.135  -1.928
   30   2HB   GLN   4           HB1      GLN   4 -19.871   8.534  -2.874
   31   1HG   GLN   4           HG2      GLN   4 -21.104   7.056  -4.420
   32   2HG   GLN   4           HG1      GLN   4 -20.606   5.651  -3.476
   33   1HE2  GLN   4          HE21      GLN   4 -23.120   5.469  -3.295
   34   2HE2  GLN   4          HE22      GLN   4 -23.852   6.289  -2.002
   35    H    HIS   5           HN       HIS   5 -17.922   9.773  -3.854
   36    HA   HIS   5           HA       HIS   5 -15.093   9.643  -3.175
   37   1HB   HIS   5           HB2      HIS   5 -17.216  11.753  -3.503
   38   2HB   HIS   5           HB1      HIS   5 -15.659  12.195  -2.802
   39    HD1  HIS   5           HD1      HIS   5 -16.537  13.247  -5.607
   40    HD2  HIS   5           HD2      HIS   5 -14.159   9.881  -4.991
   41    HE1  HIS   5           HE1      HIS   5 -15.232  12.890  -7.749
   42    H    LEU   6           HN       LEU   6 -14.188   9.763  -1.126
   43    HA   LEU   6           HA       LEU   6 -15.853   9.317   1.192
   44   1HB   LEU   6           HB2      LEU   6 -12.917   9.865   0.711
   45   2HB   LEU   6           HB1      LEU   6 -13.564   9.559   2.324
   46    HG   LEU   6           HG       LEU   6 -14.104   7.678   0.028
   47   1HD1  LEU   6          HD11      LEU   6 -11.668   7.853   0.246
   48   2HD1  LEU   6          HD12      LEU   6 -12.218   6.306   0.891
   49   3HD1  LEU   6          HD13      LEU   6 -11.791   7.618   1.989
   50   1HD2  LEU   6          HD21      LEU   6 -15.380   7.722   2.298
   51   2HD2  LEU   6          HD22      LEU   6 -13.894   7.049   2.968
   52   3HD2  LEU   6          HD23      LEU   6 -14.772   6.173   1.714
   53    H    CYS   7           HN       CYS   7 -17.216  11.205   1.280
   54    HA   CYS   7           HA       CYS   7 -15.921  13.556   2.557
   55   1HB   CYS   7           HB2      CYS   7 -17.191  13.391  -0.132
   56   2HB   CYS   7           HB1      CYS   7 -17.582  14.812   0.834
   57    H    GLY   8           HN       GLY   8 -17.849  15.189   3.045
   58   1HA   GLY   8           HA2      GLY   8 -19.761  15.573   4.331
   59   2HA   GLY   8           HA1      GLY   8 -20.531  14.420   3.241
   60    H    SER   9           HN       SER   9 -21.734  13.222   4.715
   61    HA   SER   9           HA       SER   9 -20.792  12.450   7.343
   62   1HB   SER   9           HB2      SER   9 -23.040  11.447   5.572
   63   2HB   SER   9           HB1      SER   9 -22.874  11.073   7.285
   64    HG   SER   9           HG       SER   9 -23.129  13.653   6.117
   65    H    HIS  10           HN       HIS  10 -20.732  10.891   4.179
   66    HA   HIS  10           HA       HIS  10 -20.200   8.211   5.021
   67   1HB   HIS  10           HB2      HIS  10 -20.891   9.055   2.748
   68   2HB   HIS  10           HB1      HIS  10 -19.238   9.627   2.519
   69    HD1  HIS  10           HD1      HIS  10 -20.895   6.352   3.596
   70    HD2  HIS  10           HD2      HIS  10 -17.699   7.704   1.287
   71    HE1  HIS  10           HE1      HIS  10 -19.801   4.291   2.612
   72    H    LEU  11           HN       LEU  11 -18.014  10.958   4.447
   73    HA   LEU  11           HA       LEU  11 -15.528   9.566   4.498
   74   1HB   LEU  11           HB2      LEU  11 -15.803  11.890   3.817
   75   2HB   LEU  11           HB1      LEU  11 -16.322  12.343   5.436
   76    HG   LEU  11           HG       LEU  11 -14.102  11.688   6.317
   77   1HD1  LEU  11          HD11      LEU  11 -13.402  11.247   3.399
   78   2HD1  LEU  11          HD12      LEU  11 -13.584   9.974   4.602
   79   3HD1  LEU  11          HD13      LEU  11 -12.282  11.152   4.755
   80   1HD2  LEU  11          HD21      LEU  11 -14.494  13.780   4.239
   81   2HD2  LEU  11          HD22      LEU  11 -12.826  13.443   4.703
   82   3HD2  LEU  11          HD23      LEU  11 -13.996  13.945   5.923
   83    H    VAL  12           HN       VAL  12 -17.273  11.136   7.232
   84    HA   VAL  12           HA       VAL  12 -15.428  10.398   9.299
   85    HB   VAL  12           HB       VAL  12 -18.437  10.856   9.267
   86   1HG1  VAL  12          HG11      VAL  12 -17.990  11.478  11.731
   87   2HG1  VAL  12          HG12      VAL  12 -16.489  10.568  11.560
   88   3HG1  VAL  12          HG13      VAL  12 -18.041   9.761  11.334
   89   1HG2  VAL  12          HG21      VAL  12 -17.562  13.086  10.296
   90   2HG2  VAL  12          HG22      VAL  12 -17.413  12.844   8.555
   91   3HG2  VAL  12          HG23      VAL  12 -16.013  12.609   9.601
   92    H    GLU  13           HN       GLU  13 -18.350   8.769   8.066
   93    HA   GLU  13           HA       GLU  13 -18.299   6.495   9.775
   94   1HB   GLU  13           HB2      GLU  13 -19.223   6.898   6.912
   95   2HB   GLU  13           HB1      GLU  13 -19.629   5.483   7.885
   96   1HG   GLU  13           HG2      GLU  13 -20.705   6.939   9.562
   97   2HG   GLU  13           HG1      GLU  13 -20.304   8.355   8.593
   98    H    ALA  14           HN       ALA  14 -16.732   7.154   6.669
   99    HA   ALA  14           HA       ALA  14 -15.582   4.571   6.253
  100   1HB   ALA  14           HB1      ALA  14 -14.383   5.681   4.512
  101   2HB   ALA  14           HB2      ALA  14 -14.444   7.226   5.360
  102   3HB   ALA  14           HB3      ALA  14 -15.911   6.551   4.651
  103    H    LEU  15           HN       LEU  15 -14.333   7.503   7.884
  104    HA   LEU  15           HA       LEU  15 -11.663   6.620   8.330
  105   1HB   LEU  15           HB2      LEU  15 -13.533   8.449   9.853
  106   2HB   LEU  15           HB1      LEU  15 -11.823   8.284  10.254
  107    HG   LEU  15           HG       LEU  15 -12.813   8.998   7.483
  108   1HD1  LEU  15          HD11      LEU  15 -13.387  10.690   9.321
  109   2HD1  LEU  15          HD12      LEU  15 -12.408  11.297   7.987
  110   3HD1  LEU  15          HD13      LEU  15 -11.648  10.900   9.528
  111   1HD2  LEU  15          HD21      LEU  15 -10.638   8.312   7.160
  112   2HD2  LEU  15          HD22      LEU  15 -10.178   8.635   8.832
  113   3HD2  LEU  15          HD23      LEU  15 -10.306   9.964   7.680
  114    H    TYR  16           HN       TYR  16 -14.493   6.344  10.536
  115    HA   TYR  16           HA       TYR  16 -13.109   4.917  12.599
  116   1HB   TYR  16           HB2      TYR  16 -15.969   5.264  11.723
  117   2HB   TYR  16           HB1      TYR  16 -15.585   4.167  13.050
  118    HD1  TYR  16           HD1      TYR  16 -14.800   4.990  15.181
  119    HD2  TYR  16           HD2      TYR  16 -15.452   7.688  11.913
  120    HE1  TYR  16           HE1      TYR  16 -14.601   6.918  16.729
  121    HE2  TYR  16           HE2      TYR  16 -15.258   9.615  13.453
  122    HH   TYR  16           HH       TYR  16 -15.625   9.536  16.545
  123    H    LEU  17           HN       LEU  17 -14.909   3.780   9.746
  124    HA   LEU  17           HA       LEU  17 -14.724   0.979  10.351
  125   1HB   LEU  17           HB2      LEU  17 -15.185   2.583   7.856
  126   2HB   LEU  17           HB1      LEU  17 -15.308   0.829   7.886
  127    HG   LEU  17           HG       LEU  17 -16.863   2.632   9.758
  128   1HD1  LEU  17          HD11      LEU  17 -18.635   2.703   8.265
  129   2HD1  LEU  17          HD12      LEU  17 -18.130   1.232   7.433
  130   3HD1  LEU  17          HD13      LEU  17 -17.283   2.750   7.134
  131   1HD2  LEU  17          HD21      LEU  17 -16.624  -0.288   9.261
  132   2HD2  LEU  17          HD22      LEU  17 -18.265   0.316   9.488
  133   3HD2  LEU  17          HD23      LEU  17 -17.052   0.570  10.741
  134    H    VAL  18           HN       VAL  18 -12.734   3.158   8.360
  135    HA   VAL  18           HA       VAL  18 -10.981   1.086   7.357
  136    HB   VAL  18           HB       VAL  18 -10.739   4.079   7.539
  137   1HG1  VAL  18          HG11      VAL  18  -8.947   2.000   6.443
  138   2HG1  VAL  18          HG12      VAL  18  -8.577   3.647   6.951
  139   3HG1  VAL  18          HG13      VAL  18  -9.272   3.352   5.358
  140   1HG2  VAL  18          HG21      VAL  18 -12.569   2.599   6.130
  141   2HG2  VAL  18          HG22      VAL  18 -11.268   2.766   4.951
  142   3HG2  VAL  18          HG23      VAL  18 -12.010   4.202   5.655
  143    H    CYS  19           HN       CYS  19 -10.710   3.416  10.036
  144    HA   CYS  19           HA       CYS  19  -7.982   2.770  10.706
  145   1HB   CYS  19           HB2      CYS  19 -10.285   4.136  12.033
  146   2HB   CYS  19           HB1      CYS  19  -8.784   3.885  12.919
  147    H    GLY  20           HN       GLY  20 -11.099   1.468  11.782
  148   1HA   GLY  20           HA2      GLY  20 -11.578  -0.534  12.902
  149   2HA   GLY  20           HA1      GLY  20  -9.894  -0.987  12.663
  150    H    GLU  21           HN       GLU  21  -8.296  -0.060  14.218
  151    HA   GLU  21           HA       GLU  21  -9.034  -0.411  16.923
  152   1HB   GLU  21           HB2      GLU  21  -6.752   1.039  15.567
  153   2HB   GLU  21           HB1      GLU  21  -6.818   0.810  17.314
  154   1HG   GLU  21           HG2      GLU  21  -6.993  -1.645  16.963
  155   2HG   GLU  21           HG1      GLU  21  -6.851  -1.390  15.225
  156    H    ARG  22           HN       ARG  22  -9.431   1.105  18.614
  157    HA   ARG  22           HA       ARG  22 -10.501   3.718  17.702
  158   1HB   ARG  22           HB2      ARG  22 -10.977   1.953  20.115
  159   2HB   ARG  22           HB1      ARG  22 -11.720   3.540  19.914
  160   1HG   ARG  22           HG2      ARG  22 -12.832   2.830  17.880
  161   2HG   ARG  22           HG1      ARG  22 -11.978   1.287  17.904
  162   1HD   ARG  22           HD2      ARG  22 -14.220   0.927  18.794
  163   2HD   ARG  22           HD1      ARG  22 -13.076   0.819  20.145
  164    HE   ARG  22           HE       ARG  22 -13.802   3.537  19.941
  165   1HH1  ARG  22          HH21      ARG  22 -14.222   1.547  22.279
  166   2HH1  ARG  22          HH22      ARG  22 -15.930   1.712  22.521
  167   1HH2  ARG  22          HH11      ARG  22 -16.475   3.297  19.486
  168   2HH2  ARG  22          HH12      ARG  22 -17.205   2.703  20.940
  169    H    GLY  23           HN       GLY  23  -7.580   2.932  18.510
  170   1HA   GLY  23           HA2      GLY  23  -7.258   4.856  20.766
  171   2HA   GLY  23           HA1      GLY  23  -6.092   3.608  20.341
  172    H    PHE  24           HN       PHE  24  -7.160   5.015  17.463
  173    HA   PHE  24           HA       PHE  24  -4.608   6.389  17.114
  174   1HB   PHE  24           HB2      PHE  24  -5.445   6.790  14.841
  175   2HB   PHE  24           HB1      PHE  24  -5.731   5.119  15.311
  176    HD1  PHE  24           HD1      PHE  24  -7.301   8.404  14.717
  177    HD2  PHE  24           HD2      PHE  24  -7.972   4.277  15.651
  178    HE1  PHE  24           HE1      PHE  24  -9.722   8.688  14.204
  179    HE2  PHE  24           HE2      PHE  24 -10.388   4.553  15.156
  180    HZ   PHE  24           HZ       PHE  24 -11.260   6.757  14.434
  181    H    PHE  25           HN       PHE  25  -4.201   8.520  17.347
  182    HA   PHE  25           HA       PHE  25  -6.129  10.248  18.628
  183   1HB   PHE  25           HB2      PHE  25  -3.368  10.733  17.481
  184   2HB   PHE  25           HB1      PHE  25  -4.221  11.837  18.561
  185    HD1  PHE  25           HD1      PHE  25  -5.309  10.475  20.694
  186    HD2  PHE  25           HD2      PHE  25  -1.769   9.396  18.513
  187    HE1  PHE  25           HE1      PHE  25  -4.497   9.186  22.651
  188    HE2  PHE  25           HE2      PHE  25  -0.957   8.108  20.471
  189    HZ   PHE  25           HZ       PHE  25  -2.320   8.003  22.539
  190    H    TYR  26           HN       TYR  26  -4.967   9.926  15.300
  191    HA   TYR  26           HA       TYR  26  -5.629  11.018  13.311
  192   1HB   TYR  26           HB2      TYR  26  -7.822  10.179  14.154
  193   2HB   TYR  26           HB1      TYR  26  -8.042  11.685  15.036
  194    HD1  TYR  26           HD1      TYR  26  -7.114  10.572  11.568
  195    HD2  TYR  26           HD2      TYR  26  -9.335  13.313  14.017
  196    HE1  TYR  26           HE1      TYR  26  -8.051  11.632   9.531
  197    HE2  TYR  26           HE2      TYR  26 -10.272  14.375  11.982
  198    HH   TYR  26           HH       TYR  26  -9.225  14.452   9.304
  199    H    THR  27           HN       THR  27  -3.939  12.543  15.093
  200    HA   THR  27           HA       THR  27  -5.004  15.264  15.237
  201    HB   THR  27           HB       THR  27  -2.614  15.644  16.082
  202    HG1  THR  27           HG1      THR  27  -1.436  13.777  16.445
  203   1HG2  THR  27          HG21      THR  27  -4.308  15.349  17.718
  204   2HG2  THR  27          HG22      THR  27  -3.064  14.175  18.147
  205   3HG2  THR  27          HG23      THR  27  -4.520  13.648  17.304
  206    HA   PRO  28           HA       PRO  28  -3.251  15.930  11.111
  207   1HB   PRO  28           HB2      PRO  28  -4.839  18.047  10.441
  208   2HB   PRO  28           HB1      PRO  28  -5.392  16.366  10.368
  209   1HG   PRO  28           HG2      PRO  28  -6.098  18.483  12.258
  210   2HG   PRO  28           HG1      PRO  28  -6.962  16.996  11.853
  211   1HD   PRO  28           HD2      PRO  28  -5.322  17.519  14.140
  212   2HD   PRO  28           HD1      PRO  28  -6.186  16.023  13.729
  213    H    LYS  29           HN       LYS  29  -2.994  18.455  10.032
  214    HA   LYS  29           HA       LYS  29  -0.709  19.551  11.376
  215   1HB   LYS  29           HB2      LYS  29  -2.499  20.529   9.130
  216   2HB   LYS  29           HB1      LYS  29  -0.976  21.302   9.570
  217   1HG   LYS  29           HG2      LYS  29   0.263  19.274   9.074
  218   2HG   LYS  29           HG1      LYS  29  -1.234  18.385   8.791
  219   1HD   LYS  29           HD2      LYS  29  -0.532  18.946   6.615
  220   2HD   LYS  29           HD1      LYS  29  -1.711  20.202   6.991
  221   1HE   LYS  29           HE2      LYS  29  -0.056  21.840   7.316
  222   2HE   LYS  29           HE1      LYS  29   1.211  20.634   7.614
  223   1HZ   LYS  29           HZ1      LYS  29   1.374  21.523   5.363
  224   2HZ   LYS  29           HZ2      LYS  29  -0.222  21.038   5.039
  225   3HZ   LYS  29           HZ3      LYS  29   0.981  19.874   5.331
  226    H    THR  30           HN       THR  30  -4.128  20.291  11.486
  227    HA   THR  30           HA       THR  30  -5.387  21.684  12.889
  228    HB   THR  30           HB       THR  30  -2.744  22.412  14.166
  229    HG1  THR  30           HG1      THR  30  -2.666  20.455  14.863
  230   1HG2  THR  30          HG21      THR  30  -5.576  22.280  15.227
  231   2HG2  THR  30          HG22      THR  30  -4.693  23.757  14.842
  232   3HG2  THR  30          HG23      THR  30  -4.149  22.724  16.164
  233    H    ARG  31           HN       ARG  31  -2.281  23.334  12.067
  234    HA   ARG  31           HA       ARG  31  -1.896  25.481  11.172
  235   1HB   ARG  31           HB2      ARG  31  -4.642  24.895  10.029
  236   2HB   ARG  31           HB1      ARG  31  -3.531  26.123   9.429
  237   1HG   ARG  31           HG2      ARG  31  -1.862  24.377   8.929
  238   2HG   ARG  31           HG1      ARG  31  -2.974  23.143   9.526
  239   1HD   ARG  31           HD2      ARG  31  -3.223  23.186   7.123
  240   2HD   ARG  31           HD1      ARG  31  -4.647  24.017   7.781
  241    HE   ARG  31           HE       ARG  31  -3.280  26.169   7.446
  242   1HH1  ARG  31          HH21      ARG  31  -4.304  24.527   4.946
  243   2HH1  ARG  31          HH22      ARG  31  -2.966  24.788   3.877
  244   1HH2  ARG  31          HH11      ARG  31  -0.866  25.974   6.370
  245   2HH2  ARG  31          HH12      ARG  31  -1.019  25.608   4.684
  246    H    ARG  32           HN       ARG  32  -2.378  25.973  13.647
  247    HA   ARG  32           HA       ARG  32  -3.247  27.493  15.222
  248   1HB   ARG  32           HB2      ARG  32  -2.491  28.999  13.391
  249   2HB   ARG  32           HB1      ARG  32  -4.080  28.887  12.646
  250   1HG   ARG  32           HG2      ARG  32  -5.102  29.898  14.650
  251   2HG   ARG  32           HG1      ARG  32  -3.515  29.989  15.417
  252   1HD   ARG  32           HD2      ARG  32  -2.715  31.465  13.583
  253   2HD   ARG  32           HD1      ARG  32  -4.328  31.405  12.847
  254    HE   ARG  32           HE       ARG  32  -4.509  32.164  15.629
  255   1HH1  ARG  32          HH21      ARG  32  -2.466  33.663  13.548
  256   2HH1  ARG  32          HH22      ARG  32  -3.347  35.148  13.412
  257   1HH2  ARG  32          HH11      ARG  32  -6.169  33.933  15.015
  258   2HH2  ARG  32          HH12      ARG  32  -5.441  35.300  14.241
  259    H    TYR  33           HN       TYR  33  -5.912  28.498  13.155
  260    HA   TYR  33           HA       TYR  33  -7.803  27.197  15.014
  261   1HB   TYR  33           HB2      TYR  33  -7.867  29.310  12.878
  262   2HB   TYR  33           HB1      TYR  33  -9.379  28.568  13.396
  263    HD1  TYR  33           HD1      TYR  33  -7.714  31.435  13.844
  264    HD2  TYR  33           HD2      TYR  33  -9.057  28.135  16.248
  265    HE1  TYR  33           HE1      TYR  33  -7.753  32.903  15.842
  266    HE2  TYR  33           HE2      TYR  33  -9.091  29.604  18.244
  267    HH   TYR  33           HH       TYR  33  -8.889  32.982  18.043
  268    HA   PRO  34           HA       PRO  34  -8.193  24.079  11.761
  269   1HB   PRO  34           HB2      PRO  34  -9.207  22.091  13.330
  270   2HB   PRO  34           HB1      PRO  34  -7.480  22.489  13.281
  271   1HG   PRO  34           HG2      PRO  34  -9.469  23.029  15.374
  272   2HG   PRO  34           HG1      PRO  34  -7.713  22.875  15.495
  273   1HD   PRO  34           HD2      PRO  34  -9.235  25.269  15.462
  274   2HD   PRO  34           HD1      PRO  34  -7.467  25.114  15.436
  275    H    GLY  35           HN       GLY  35 -10.127  26.048  11.720
  276   1HA   GLY  35           HA2      GLY  35 -12.603  24.471  11.314
  277   2HA   GLY  35           HA1      GLY  35 -12.704  25.887  12.364
  278    H    ASP  36           HN       ASP  36 -13.221  27.758  11.370
  279    HA   ASP  36           HA       ASP  36 -13.677  29.294   9.640
  280   1HB   ASP  36           HB2      ASP  36 -11.120  29.124   9.946
  281   2HB   ASP  36           HB1      ASP  36 -11.156  28.233   8.429
  282    H    VAL  37           HN       VAL  37 -14.969  26.800   9.246
  283    HA   VAL  37           HA       VAL  37 -15.949  25.411   7.582
  284    HB   VAL  37           HB       VAL  37 -15.736  28.101   6.192
  285   1HG1  VAL  37          HG11      VAL  37 -17.322  25.611   5.692
  286   2HG1  VAL  37          HG12      VAL  37 -16.605  26.733   4.536
  287   3HG1  VAL  37          HG13      VAL  37 -18.089  27.169   5.382
  288   1HG2  VAL  37          HG21      VAL  37 -18.260  27.928   7.273
  289   2HG2  VAL  37          HG22      VAL  37 -16.910  28.776   8.025
  290   3HG2  VAL  37          HG23      VAL  37 -17.290  27.123   8.508
  291    H    LYS  38           HN       LYS  38 -13.327  24.731   7.474
  292    HA   LYS  38           HA       LYS  38 -12.909  24.129   4.634
  293   1HB   LYS  38           HB2      LYS  38 -10.667  25.229   4.585
  294   2HB   LYS  38           HB1      LYS  38 -11.974  26.390   4.813
  295   1HG   LYS  38           HG2      LYS  38 -11.517  26.600   7.138
  296   2HG   LYS  38           HG1      LYS  38 -10.456  25.190   7.137
  297   1HD   LYS  38           HD2      LYS  38  -8.994  27.067   7.137
  298   2HD   LYS  38           HD1      LYS  38  -9.001  26.492   5.470
  299   1HE   LYS  38           HE2      LYS  38 -11.172  28.372   5.827
  300   2HE   LYS  38           HE1      LYS  38  -9.651  29.103   6.375
  301   1HZ   LYS  38           HZ1      LYS  38  -8.635  28.153   4.296
  302   2HZ   LYS  38           HZ2      LYS  38  -9.731  29.428   4.050
  303   3HZ   LYS  38           HZ3      LYS  38 -10.209  27.824   3.757
  304    H    ARG  39           HN       ARG  39 -11.090  22.561   4.376
  305    HA   ARG  39           HA       ARG  39  -9.991  21.382   6.844
  306   1HB   ARG  39           HB2      ARG  39 -11.937  20.063   4.949
  307   2HB   ARG  39           HB1      ARG  39 -10.859  19.107   5.960
  308   1HG   ARG  39           HG2      ARG  39 -12.798  21.180   7.033
  309   2HG   ARG  39           HG1      ARG  39 -13.129  19.456   6.963
  310   1HD   ARG  39           HD2      ARG  39 -11.188  18.993   8.412
  311   2HD   ARG  39           HD1      ARG  39 -10.825  20.727   8.486
  312    HE   ARG  39           HE       ARG  39 -12.624  20.980   9.988
  313   1HH1  ARG  39          HH21      ARG  39 -12.266  17.721   9.497
  314   2HH1  ARG  39          HH22      ARG  39 -13.919  17.297   9.795
  315   1HH2  ARG  39          HH11      ARG  39 -15.034  20.579   9.827
  316   2HH2  ARG  39          HH12      ARG  39 -15.485  18.914   9.981
  317    H    GLY  40           HN       GLY  40 -10.355  20.895   3.326
  318   1HA   GLY  40           HA2      GLY  40  -8.534  20.866   1.749
  319   2HA   GLY  40           HA1      GLY  40  -7.409  20.650   3.091
  320    H    ILE  41           HN       ILE  41  -8.322  18.490   4.419
  321    HA   ILE  41           HA       ILE  41  -7.519  16.245   2.843
  322    HB   ILE  41           HB       ILE  41  -9.178  16.458   5.385
  323   1HG1  ILE  41          HG12      ILE  41  -6.210  15.924   5.062
  324   2HG1  ILE  41          HG11      ILE  41  -6.870  17.532   5.348
  325   1HG2  ILE  41          HG21      ILE  41  -7.473  14.090   5.054
  326   2HG2  ILE  41          HG22      ILE  41  -8.757  14.177   3.850
  327   3HG2  ILE  41          HG23      ILE  41  -9.156  14.199   5.566
  328   1HD1  ILE  41          HD11      ILE  41  -7.026  17.114   7.553
  329   2HD1  ILE  41          HD12      ILE  41  -6.260  15.550   7.281
  330   3HD1  ILE  41          HD13      ILE  41  -8.017  15.687   7.246
  331    H    VAL  42           HN       VAL  42 -10.746  17.364   3.840
  332    HA   VAL  42           HA       VAL  42 -12.296  15.335   2.560
  333    HB   VAL  42           HB       VAL  42 -12.856  18.216   3.239
  334   1HG1  VAL  42          HG11      VAL  42 -14.489  17.229   1.602
  335   2HG1  VAL  42          HG12      VAL  42 -15.214  17.676   3.146
  336   3HG1  VAL  42          HG13      VAL  42 -14.852  15.985   2.798
  337   1HG2  VAL  42          HG21      VAL  42 -14.129  16.790   5.123
  338   2HG2  VAL  42          HG22      VAL  42 -12.445  17.283   5.297
  339   3HG2  VAL  42          HG23      VAL  42 -12.834  15.653   4.746
  340    H    GLU  43           HN       GLU  43 -11.199  18.517   1.421
  341    HA   GLU  43           HA       GLU  43 -12.525  18.568  -1.087
  342   1HB   GLU  43           HB2      GLU  43  -9.913  19.724  -0.085
  343   2HB   GLU  43           HB1      GLU  43 -10.606  20.146  -1.652
  344   1HG   GLU  43           HG2      GLU  43 -12.104  20.417   0.966
  345   2HG   GLU  43           HG1      GLU  43 -11.215  21.741   0.208
  346    H    GLN  44           HN       GLN  44  -9.395  17.193  -0.147
  347    HA   GLN  44           HA       GLN  44  -8.408  16.526  -2.730
  348   1HB   GLN  44           HB2      GLN  44  -7.131  16.497  -0.613
  349   2HB   GLN  44           HB1      GLN  44  -8.087  15.124  -0.055
  350   1HG   GLN  44           HG2      GLN  44  -7.269  13.775  -1.950
  351   2HG   GLN  44           HG1      GLN  44  -6.312  15.145  -2.513
  352   1HE2  GLN  44          HE21      GLN  44  -4.904  12.838  -1.924
  353   2HE2  GLN  44          HE22      GLN  44  -4.043  13.017  -0.472
  354    H    CYS  45           HN       CYS  45 -10.476  14.620  -0.498
  355    HA   CYS  45           HA       CYS  45 -10.700  12.416  -2.437
  356   1HB   CYS  45           HB2      CYS  45 -12.090  12.980   0.203
  357   2HB   CYS  45           HB1      CYS  45 -12.130  11.445  -0.660
  358    H    CYS  46           HN       CYS  46 -12.571  15.221  -1.435
  359    HA   CYS  46           HA       CYS  46 -15.126  14.520  -2.506
  360   1HB   CYS  46           HB2      CYS  46 -13.618  16.937  -1.703
  361   2HB   CYS  46           HB1      CYS  46 -14.920  17.231  -2.851
  362    H    THR  47           HN       THR  47 -12.350  16.186  -4.018
  363    HA   THR  47           HA       THR  47 -13.658  16.472  -6.605
  364    HB   THR  47           HB       THR  47 -11.247  17.099  -7.227
  365    HG1  THR  47           HG1      THR  47  -9.976  17.437  -5.263
  366   1HG2  THR  47          HG21      THR  47 -12.854  18.401  -5.041
  367   2HG2  THR  47          HG22      THR  47 -12.654  18.906  -6.719
  368   3HG2  THR  47          HG23      THR  47 -11.329  19.108  -5.573
  369    H    SER  48           HN       SER  48 -11.280  14.201  -5.229
  370    HA   SER  48           HA       SER  48 -11.755  12.408  -7.583
  371   1HB   SER  48           HB2      SER  48  -9.111  13.139  -6.282
  372   2HB   SER  48           HB1      SER  48  -9.308  11.963  -7.578
  373    HG   SER  48           HG       SER  48  -8.724  14.157  -8.229
  374    H    ILE  49           HN       ILE  49 -11.323  10.125  -7.092
  375    HA   ILE  49           HA       ILE  49 -12.167   9.336  -4.423
  376    HB   ILE  49           HB       ILE  49 -11.024   7.770  -6.768
  377   1HG1  ILE  49          HG12      ILE  49 -13.918   8.179  -5.968
  378   2HG1  ILE  49          HG11      ILE  49 -13.108   9.163  -7.187
  379   1HG2  ILE  49          HG21      ILE  49 -11.338   6.838  -4.223
  380   2HG2  ILE  49          HG22      ILE  49 -11.517   5.833  -5.659
  381   3HG2  ILE  49          HG23      ILE  49 -12.942   6.521  -4.882
  382   1HD1  ILE  49          HD11      ILE  49 -12.937   7.402  -8.690
  383   2HD1  ILE  49          HD12      ILE  49 -14.455   6.994  -7.892
  384   3HD1  ILE  49          HD13      ILE  49 -12.964   6.179  -7.420
  385    H    CYS  50           HN       CYS  50 -10.829   9.127  -2.679
  386    HA   CYS  50           HA       CYS  50  -7.924   9.331  -2.966
  387   1HB   CYS  50           HB2      CYS  50  -9.926   9.094  -0.727
  388   2HB   CYS  50           HB1      CYS  50  -8.199   8.963  -0.392
  389    H    SER  51           HN       SER  51  -6.411   7.705  -2.485
  390    HA   SER  51           HA       SER  51  -7.295   4.945  -2.931
  391   1HB   SER  51           HB2      SER  51  -4.864   4.549  -2.954
  392   2HB   SER  51           HB1      SER  51  -5.261   5.959  -3.930
  393    HG   SER  51           HG       SER  51  -3.508   6.351  -2.507
  394    H    LEU  52           HN       LEU  52  -6.914   3.218  -1.439
  395    HA   LEU  52           HA       LEU  52  -7.599   3.671   1.277
  396   1HB   LEU  52           HB2      LEU  52  -7.911   1.562   0.024
  397   2HB   LEU  52           HB1      LEU  52  -6.162   1.347  -0.050
  398    HG   LEU  52           HG       LEU  52  -6.158   1.407   2.490
  399   1HD1  LEU  52          HD11      LEU  52  -8.526   0.657   3.357
  400   2HD1  LEU  52          HD12      LEU  52  -9.105   1.482   1.910
  401   3HD1  LEU  52          HD13      LEU  52  -8.188   2.372   3.125
  402   1HD2  LEU  52          HD21      LEU  52  -5.880  -0.743   1.620
  403   2HD2  LEU  52          HD22      LEU  52  -7.456  -0.736   0.830
  404   3HD2  LEU  52          HD23      LEU  52  -7.347  -0.942   2.578
  405    H    TYR  53           HN       TYR  53  -4.439   3.257  -0.285
  406    HA   TYR  53           HA       TYR  53  -2.801   2.975   2.009
  407   1HB   TYR  53           HB2      TYR  53  -2.113   2.608  -0.322
  408   2HB   TYR  53           HB1      TYR  53  -2.269   4.331  -0.629
  409    HD1  TYR  53           HD1      TYR  53  -0.681   5.945   0.307
  410    HD2  TYR  53           HD2      TYR  53  -0.254   1.728   1.002
  411    HE1  TYR  53           HE1      TYR  53   1.634   6.313   1.113
  412    HE2  TYR  53           HE2      TYR  53   2.063   2.096   1.809
  413    HH   TYR  53           HH       TYR  53   3.262   5.134   2.621
  414    H    GLN  54           HN       GLN  54  -3.910   5.972   0.385
  415    HA   GLN  54           HA       GLN  54  -2.361   7.759   2.026
  416   1HB   GLN  54           HB2      GLN  54  -4.889   8.067   0.387
  417   2HB   GLN  54           HB1      GLN  54  -4.071   9.429   1.153
  418   1HG   GLN  54           HG2      GLN  54  -1.990   8.843  -0.075
  419   2HG   GLN  54           HG1      GLN  54  -2.857   7.536  -0.883
  420   1HE2  GLN  54          HE21      GLN  54  -2.914   8.393  -3.027
  421   2HE2  GLN  54          HE22      GLN  54  -3.677   9.857  -3.422
  422    H    LEU  55           HN       LEU  55  -5.681   6.476   2.326
  423    HA   LEU  55           HA       LEU  55  -6.512   8.036   4.572
  424   1HB   LEU  55           HB2      LEU  55  -7.160   5.217   3.649
  425   2HB   LEU  55           HB1      LEU  55  -8.074   6.073   4.892
  426    HG   LEU  55           HG       LEU  55  -7.624   7.185   2.113
  427   1HD1  LEU  55          HD11      LEU  55  -9.867   6.425   1.565
  428   2HD1  LEU  55          HD12      LEU  55 -10.080   5.765   3.187
  429   3HD1  LEU  55          HD13      LEU  55  -8.914   5.035   2.083
  430   1HD2  LEU  55          HD21      LEU  55  -9.781   8.437   2.915
  431   2HD2  LEU  55          HD22      LEU  55  -8.215   8.962   3.532
  432   3HD2  LEU  55          HD23      LEU  55  -9.259   7.946   4.526
  433    H    GLU  56           HN       GLU  56  -4.765   4.947   4.371
  434    HA   GLU  56           HA       GLU  56  -4.640   4.330   7.155
  435   1HB   GLU  56           HB2      GLU  56  -2.824   3.754   4.798
  436   2HB   GLU  56           HB1      GLU  56  -2.599   3.015   6.385
  437   1HG   GLU  56           HG2      GLU  56  -4.883   2.093   6.288
  438   2HG   GLU  56           HG1      GLU  56  -5.120   2.833   4.707
  439    H    ASN  57           HN       ASN  57  -2.509   6.308   5.094
  440    HA   ASN  57           HA       ASN  57  -0.436   6.805   6.997
  441   1HB   ASN  57           HB2      ASN  57  -0.358   7.301   4.567
  442   2HB   ASN  57           HB1      ASN  57  -1.565   8.568   4.792
  443   1HD2  ASN  57          HD21      ASN  57   0.023  10.195   4.044
  444   2HD2  ASN  57          HD22      ASN  57   1.279  10.703   5.066
  445    H    TYR  58           HN       TYR  58  -3.421   8.638   6.287
  446    HA   TYR  58           HA       TYR  58  -3.051  10.710   8.225
  447   1HB   TYR  58           HB2      TYR  58  -5.458   9.444   6.901
  448   2HB   TYR  58           HB1      TYR  58  -5.596  10.836   7.976
  449    HD1  TYR  58           HD1      TYR  58  -3.541  12.632   7.437
  450    HD2  TYR  58           HD2      TYR  58  -5.481  10.013   4.637
  451    HE1  TYR  58           HE1      TYR  58  -2.896  14.142   5.578
  452    HE2  TYR  58           HE2      TYR  58  -4.834  11.524   2.778
  453    HH   TYR  58           HH       TYR  58  -3.926  14.603   3.143
  454    H    CYS  59           HN       CYS  59  -4.363   7.435   8.486
  455    HA   CYS  59           HA       CYS  59  -5.266   7.870  11.270
  456   1HB   CYS  59           HB2      CYS  59  -6.424   6.472   9.461
  457   2HB   CYS  59           HB1      CYS  59  -5.115   5.307   9.652
  458    H    ASN  60           HN       ASN  60  -2.758   8.461  11.538
  459    HA   ASN  60           HA       ASN  60  -0.817   6.334  11.668
  460   1HB   ASN  60           HB2      ASN  60  -1.030   8.996  13.117
  461   2HB   ASN  60           HB1      ASN  60   0.436   8.022  13.012
  462   1HD2  ASN  60          HD21      ASN  60   1.009   7.414  10.583
  463   2HD2  ASN  60          HD22      ASN  60   0.843   8.674   9.458
  Start of MODEL    2
    1   1H    PHE   1           HT1      PHE   1 -23.015  -3.996  -6.325
    2   2H    PHE   1           HT2      PHE   1 -23.224  -2.824  -7.538
    3   3H    PHE   1           HT3      PHE   1 -23.494  -2.423  -5.909
    4    HA   PHE   1           HA       PHE   1 -21.149  -2.721  -5.403
    5   1HB   PHE   1           HB2      PHE   1 -20.918  -4.558  -7.062
    6   2HB   PHE   1           HB1      PHE   1 -21.037  -3.377  -8.367
    7    HD1  PHE   1           HD1      PHE   1 -18.927  -4.692  -5.655
    8    HD2  PHE   1           HD2      PHE   1 -19.233  -1.777  -8.794
    9    HE1  PHE   1           HE1      PHE   1 -16.496  -4.237  -5.469
   10    HE2  PHE   1           HE2      PHE   1 -16.803  -1.323  -8.611
   11    HZ   PHE   1           HZ       PHE   1 -15.434  -2.553  -6.948
   12    H    VAL   2           HN       VAL   2 -21.223  -0.491  -4.992
   13    HA   VAL   2           HA       VAL   2 -20.847   1.302  -7.321
   14    HB   VAL   2           HB       VAL   2 -22.261   2.920  -6.093
   15   1HG1  VAL   2          HG11      VAL   2 -23.759   0.310  -6.195
   16   2HG1  VAL   2          HG12      VAL   2 -23.174   1.077  -7.671
   17   3HG1  VAL   2          HG13      VAL   2 -24.326   1.920  -6.636
   18   1HG2  VAL   2          HG21      VAL   2 -21.765   2.139  -3.807
   19   2HG2  VAL   2          HG22      VAL   2 -22.627   0.635  -4.134
   20   3HG2  VAL   2          HG23      VAL   2 -23.504   2.165  -4.096
   21    H    ASN   3           HN       ASN   3 -19.643   3.294  -6.768
   22    HA   ASN   3           HA       ASN   3 -18.188   3.331  -4.188
   23   1HB   ASN   3           HB2      ASN   3 -16.997   1.774  -5.776
   24   2HB   ASN   3           HB1      ASN   3 -16.771   3.140  -6.867
   25   1HD2  ASN   3          HD21      ASN   3 -14.373   2.584  -6.410
   26   2HD2  ASN   3          HD22      ASN   3 -13.656   3.299  -5.047
   27    H    GLN   4           HN       GLN   4 -19.483   5.333  -4.121
   28    HA   GLN   4           HA       GLN   4 -18.912   7.479  -6.044
   29   1HB   GLN   4           HB2      GLN   4 -20.407   7.385  -3.398
   30   2HB   GLN   4           HB1      GLN   4 -20.466   8.718  -4.551
   31   1HG   GLN   4           HG2      GLN   4 -21.264   5.868  -5.219
   32   2HG   GLN   4           HG1      GLN   4 -22.407   7.127  -4.750
   33   1HE2  GLN   4          HE21      GLN   4 -21.832   5.645  -7.434
   34   2HE2  GLN   4          HE22      GLN   4 -21.720   6.909  -8.562
   35    H    HIS   5           HN       HIS   5 -18.526   9.718  -4.654
   36    HA   HIS   5           HA       HIS   5 -15.782   9.543  -3.708
   37   1HB   HIS   5           HB2      HIS   5 -17.896  11.712  -3.816
   38   2HB   HIS   5           HB1      HIS   5 -16.241  12.015  -3.287
   39    HD1  HIS   5           HD1      HIS   5 -14.350  11.798  -5.077
   40    HD2  HIS   5           HD2      HIS   5 -18.194  11.273  -6.602
   41    HE1  HIS   5           HE1      HIS   5 -14.139  11.893  -7.599
   42    H    LEU   6           HN       LEU   6 -15.038   9.650  -1.571
   43    HA   LEU   6           HA       LEU   6 -16.971   9.038   0.545
   44   1HB   LEU   6           HB2      LEU   6 -13.959   9.202   0.324
   45   2HB   LEU   6           HB1      LEU   6 -14.777   8.823   1.842
   46    HG   LEU   6           HG       LEU   6 -15.313   7.295  -0.709
   47   1HD1  LEU   6          HD11      LEU   6 -13.605   6.180   1.480
   48   2HD1  LEU   6          HD12      LEU   6 -12.859   7.280   0.321
   49   3HD1  LEU   6          HD13      LEU   6 -13.616   5.790  -0.239
   50   1HD2  LEU   6          HD21      LEU   6 -17.049   6.913   0.836
   51   2HD2  LEU   6          HD22      LEU   6 -15.954   6.973   2.217
   52   3HD2  LEU   6          HD23      LEU   6 -15.942   5.575   1.143
   53    H    CYS   7           HN       CYS   7 -18.069  10.914   1.115
   54    HA   CYS   7           HA       CYS   7 -16.490  13.046   2.450
   55   1HB   CYS   7           HB2      CYS   7 -16.993  13.391  -0.125
   56   2HB   CYS   7           HB1      CYS   7 -18.610  13.798   0.447
   57    H    GLY   8           HN       GLY   8 -18.261  14.710   3.358
   58   1HA   GLY   8           HA2      GLY   8 -20.016  15.020   4.864
   59   2HA   GLY   8           HA1      GLY   8 -20.951  14.011   3.761
   60    H    SER   9           HN       SER   9 -22.018  12.713   5.287
   61    HA   SER   9           HA       SER   9 -20.714  11.611   7.633
   62   1HB   SER   9           HB2      SER   9 -23.323  11.243   6.181
   63   2HB   SER   9           HB1      SER   9 -22.909  10.196   7.536
   64    HG   SER   9           HG       SER   9 -23.549  11.789   8.738
   65    H    HIS  10           HN       HIS  10 -21.136  10.492   4.325
   66    HA   HIS  10           HA       HIS  10 -20.743   7.687   4.720
   67   1HB   HIS  10           HB2      HIS  10 -21.471   9.020   2.646
   68   2HB   HIS  10           HB1      HIS  10 -19.756   9.331   2.376
   69    HD1  HIS  10           HD1      HIS  10 -21.497   6.133   3.502
   70    HD2  HIS  10           HD2      HIS  10 -19.062   7.504   0.409
   71    HE1  HIS  10           HE1      HIS  10 -20.972   4.119   2.059
   72    H    LEU  11           HN       LEU  11 -18.428  10.347   4.262
   73    HA   LEU  11           HA       LEU  11 -16.027   8.816   4.081
   74   1HB   LEU  11           HB2      LEU  11 -16.263  11.226   3.575
   75   2HB   LEU  11           HB1      LEU  11 -16.570  11.558   5.278
   76    HG   LEU  11           HG       LEU  11 -14.318  10.631   5.828
   77   1HD1  LEU  11          HD11      LEU  11 -12.723  10.259   3.980
   78   2HD1  LEU  11          HD12      LEU  11 -14.006  10.566   2.810
   79   3HD1  LEU  11          HD13      LEU  11 -14.091   9.154   3.862
   80   1HD2  LEU  11          HD21      LEU  11 -13.139  12.540   4.265
   81   2HD2  LEU  11          HD22      LEU  11 -14.034  12.898   5.741
   82   3HD2  LEU  11          HD23      LEU  11 -14.829  13.038   4.174
   83    H    VAL  12           HN       VAL  12 -17.797  10.072   6.910
   84    HA   VAL  12           HA       VAL  12 -15.903   9.405   8.940
   85    HB   VAL  12           HB       VAL  12 -18.940   9.546   8.919
   86   1HG1  VAL  12          HG11      VAL  12 -18.746   9.930  11.363
   87   2HG1  VAL  12          HG12      VAL  12 -17.014   9.613  11.264
   88   3HG1  VAL  12          HG13      VAL  12 -18.167   8.328  10.906
   89   1HG2  VAL  12          HG21      VAL  12 -18.677  11.782   8.849
   90   2HG2  VAL  12          HG22      VAL  12 -16.951  11.539   8.588
   91   3HG2  VAL  12          HG23      VAL  12 -17.575  11.739  10.225
   92    H    GLU  13           HN       GLU  13 -18.719   7.559   7.747
   93    HA   GLU  13           HA       GLU  13 -18.375   5.255   9.366
   94   1HB   GLU  13           HB2      GLU  13 -20.377   5.859   8.017
   95   2HB   GLU  13           HB1      GLU  13 -19.473   5.484   6.549
   96   1HG   GLU  13           HG2      GLU  13 -19.162   3.163   7.327
   97   2HG   GLU  13           HG1      GLU  13 -20.065   3.532   8.794
   98    H    ALA  14           HN       ALA  14 -17.066   6.015   6.153
   99    HA   ALA  14           HA       ALA  14 -15.844   3.521   5.578
  100   1HB   ALA  14           HB1      ALA  14 -14.329   5.101   4.169
  101   2HB   ALA  14           HB2      ALA  14 -15.356   6.389   4.799
  102   3HB   ALA  14           HB3      ALA  14 -16.060   5.092   3.835
  103    H    LEU  15           HN       LEU  15 -14.382   6.439   7.077
  104    HA   LEU  15           HA       LEU  15 -11.780   5.362   7.484
  105   1HB   LEU  15           HB2      LEU  15 -13.418   7.452   8.937
  106   2HB   LEU  15           HB1      LEU  15 -11.709   7.172   9.274
  107    HG   LEU  15           HG       LEU  15 -12.787   7.782   6.512
  108   1HD1  LEU  15          HD11      LEU  15 -11.847   9.566   8.733
  109   2HD1  LEU  15          HD12      LEU  15 -13.182   9.802   7.606
  110   3HD1  LEU  15          HD13      LEU  15 -11.519  10.019   7.061
  111   1HD2  LEU  15          HD21      LEU  15 -10.303   8.403   6.230
  112   2HD2  LEU  15          HD22      LEU  15 -10.684   6.685   6.345
  113   3HD2  LEU  15          HD23      LEU  15 -10.040   7.542   7.746
  114    H    TYR  16           HN       TYR  16 -14.529   5.486   9.799
  115    HA   TYR  16           HA       TYR  16 -13.225   4.152  11.950
  116   1HB   TYR  16           HB2      TYR  16 -16.002   4.742  11.061
  117   2HB   TYR  16           HB1      TYR  16 -15.828   3.476  12.277
  118    HD1  TYR  16           HD1      TYR  16 -14.924   3.959  14.488
  119    HD2  TYR  16           HD2      TYR  16 -15.358   7.061  11.549
  120    HE1  TYR  16           HE1      TYR  16 -14.593   5.672  16.249
  121    HE2  TYR  16           HE2      TYR  16 -15.025   8.776  13.311
  122    HH   TYR  16           HH       TYR  16 -13.710   8.635  15.786
  123    H    LEU  17           HN       LEU  17 -15.345   2.758   9.409
  124    HA   LEU  17           HA       LEU  17 -15.038   0.052  10.303
  125   1HB   LEU  17           HB2      LEU  17 -16.162   1.539   8.029
  126   2HB   LEU  17           HB1      LEU  17 -15.759  -0.141   7.694
  127    HG   LEU  17           HG       LEU  17 -17.056  -0.779   9.760
  128   1HD1  LEU  17          HD11      LEU  17 -18.792   1.377  10.066
  129   2HD1  LEU  17          HD12      LEU  17 -17.207   2.142   9.954
  130   3HD1  LEU  17          HD13      LEU  17 -17.510   0.918  11.186
  131   1HD2  LEU  17          HD21      LEU  17 -19.290  -0.390   8.698
  132   2HD2  LEU  17          HD22      LEU  17 -18.085  -0.990   7.558
  133   3HD2  LEU  17          HD23      LEU  17 -18.519   0.719   7.563
  134    H    VAL  18           HN       VAL  18 -13.382   1.934   7.759
  135    HA   VAL  18           HA       VAL  18 -11.778  -0.267   6.803
  136    HB   VAL  18           HB       VAL  18 -11.546   2.727   6.622
  137   1HG1  VAL  18          HG11      VAL  18  -9.439   2.326   5.869
  138   2HG1  VAL  18          HG12      VAL  18 -10.235   1.714   4.420
  139   3HG1  VAL  18          HG13      VAL  18  -9.741   0.598   5.693
  140   1HG2  VAL  18          HG21      VAL  18 -12.568   2.441   4.442
  141   2HG2  VAL  18          HG22      VAL  18 -13.565   1.601   5.630
  142   3HG2  VAL  18          HG23      VAL  18 -12.475   0.686   4.590
  143    H    CYS  19           HN       CYS  19 -10.995   2.495   8.940
  144    HA   CYS  19           HA       CYS  19  -8.338   1.487   9.566
  145   1HB   CYS  19           HB2      CYS  19 -10.092   3.593  10.814
  146   2HB   CYS  19           HB1      CYS  19  -8.388   3.375  11.182
  147    H    GLY  20           HN       GLY  20 -11.277   1.902  11.571
  148   1HA   GLY  20           HA2      GLY  20 -12.041   0.702  13.427
  149   2HA   GLY  20           HA1      GLY  20 -11.140  -0.666  12.781
  150    H    GLU  21           HN       GLU  21  -9.412   2.283  13.459
  151    HA   GLU  21           HA       GLU  21  -8.434   1.178  16.034
  152   1HB   GLU  21           HB2      GLU  21  -6.837   1.988  13.593
  153   2HB   GLU  21           HB1      GLU  21  -6.110   1.708  15.176
  154   1HG   GLU  21           HG2      GLU  21  -6.992  -0.592  15.187
  155   2HG   GLU  21           HG1      GLU  21  -7.741  -0.318  13.616
  156    H    ARG  22           HN       ARG  22  -7.613   2.787  17.462
  157    HA   ARG  22           HA       ARG  22  -8.484   5.545  16.860
  158   1HB   ARG  22           HB2      ARG  22  -7.672   4.018  19.347
  159   2HB   ARG  22           HB1      ARG  22  -8.068   5.737  19.368
  160   1HG   ARG  22           HG2      ARG  22 -10.308   5.312  18.590
  161   2HG   ARG  22           HG1      ARG  22  -9.937   3.616  18.280
  162   1HD   ARG  22           HD2      ARG  22 -11.141   3.723  20.385
  163   2HD   ARG  22           HD1      ARG  22  -9.445   3.386  20.776
  164    HE   ARG  22           HE       ARG  22  -9.726   6.205  20.681
  165   1HH1  ARG  22          HH21      ARG  22 -11.799   4.020  22.233
  166   2HH1  ARG  22          HH22      ARG  22 -11.588   4.693  23.814
  167   1HH2  ARG  22          HH11      ARG  22  -9.078   6.879  22.849
  168   2HH2  ARG  22          HH12      ARG  22 -10.054   6.309  24.162
  169    H    GLY  23           HN       GLY  23  -5.815   4.057  16.013
  170   1HA   GLY  23           HA2      GLY  23  -3.631   5.251  17.364
  171   2HA   GLY  23           HA1      GLY  23  -3.579   4.654  15.710
  172    H    PHE  24           HN       PHE  24  -5.504   6.467  14.572
  173    HA   PHE  24           HA       PHE  24  -3.769   8.780  14.224
  174   1HB   PHE  24           HB2      PHE  24  -5.516   9.463  12.604
  175   2HB   PHE  24           HB1      PHE  24  -5.023   7.792  12.373
  176    HD1  PHE  24           HD1      PHE  24  -7.690   9.989  13.730
  177    HD2  PHE  24           HD2      PHE  24  -6.568   5.978  12.681
  178    HE1  PHE  24           HE1      PHE  24 -10.059   9.275  13.921
  179    HE2  PHE  24           HE2      PHE  24  -8.934   5.264  12.884
  180    HZ   PHE  24           HZ       PHE  24 -10.678   6.912  13.503
  181    H    PHE  25           HN       PHE  25  -3.857  10.679  15.271
  182    HA   PHE  25           HA       PHE  25  -5.740  11.113  17.443
  183   1HB   PHE  25           HB2      PHE  25  -3.604  12.875  16.196
  184   2HB   PHE  25           HB1      PHE  25  -4.369  13.150  17.761
  185    HD1  PHE  25           HD1      PHE  25  -4.418  10.767  19.208
  186    HD2  PHE  25           HD2      PHE  25  -1.462  12.002  16.346
  187    HE1  PHE  25           HE1      PHE  25  -2.757   9.262  20.272
  188    HE2  PHE  25           HE2      PHE  25   0.198  10.499  17.411
  189    HZ   PHE  25           HZ       PHE  25  -0.450   9.129  19.373
  190    H    TYR  26           HN       TYR  26  -5.165  12.480  14.225
  191    HA   TYR  26           HA       TYR  26  -6.460  13.900  12.865
  192   1HB   TYR  26           HB2      TYR  26  -8.106  11.958  14.086
  193   2HB   TYR  26           HB1      TYR  26  -8.994  13.472  14.234
  194    HD1  TYR  26           HD1      TYR  26  -9.096  10.769  12.307
  195    HD2  TYR  26           HD2      TYR  26  -8.221  14.946  11.811
  196    HE1  TYR  26           HE1      TYR  26  -9.730  10.615   9.920
  197    HE2  TYR  26           HE2      TYR  26  -8.861  14.790   9.421
  198    HH   TYR  26           HH       TYR  26  -9.250  11.843   7.811
  199    H    THR  27           HN       THR  27  -5.172  15.194  15.022
  200    HA   THR  27           HA       THR  27  -7.048  16.876  16.464
  201    HB   THR  27           HB       THR  27  -4.786  16.088  17.258
  202    HG1  THR  27           HG1      THR  27  -4.992  17.725  18.514
  203   1HG2  THR  27          HG21      THR  27  -2.802  17.360  16.479
  204   2HG2  THR  27          HG22      THR  27  -3.803  18.148  15.260
  205   3HG2  THR  27          HG23      THR  27  -3.522  16.409  15.179
  206    HA   PRO  28           HA       PRO  28  -7.518  19.915  13.284
  207   1HB   PRO  28           HB2      PRO  28  -8.241  22.085  14.792
  208   2HB   PRO  28           HB1      PRO  28  -9.337  20.734  14.440
  209   1HG   PRO  28           HG2      PRO  28  -7.765  21.301  16.902
  210   2HG   PRO  28           HG1      PRO  28  -9.405  20.657  16.732
  211   1HD   PRO  28           HD2      PRO  28  -7.238  19.104  17.286
  212   2HD   PRO  28           HD1      PRO  28  -8.673  18.509  16.422
  213    H    LYS  29           HN       LYS  29  -6.306  21.596  12.334
  214    HA   LYS  29           HA       LYS  29  -3.602  21.960  13.237
  215   1HB   LYS  29           HB2      LYS  29  -5.326  23.287  11.129
  216   2HB   LYS  29           HB1      LYS  29  -3.594  23.581  11.291
  217   1HG   LYS  29           HG2      LYS  29  -3.148  21.176  10.993
  218   2HG   LYS  29           HG1      LYS  29  -4.878  20.873  10.831
  219   1HD   LYS  29           HD2      LYS  29  -3.434  22.822   9.030
  220   2HD   LYS  29           HD1      LYS  29  -3.531  21.103   8.649
  221   1HE   LYS  29           HE2      LYS  29  -5.970  21.188   8.638
  222   2HE   LYS  29           HE1      LYS  29  -5.942  22.883   9.166
  223   1HZ   LYS  29           HZ1      LYS  29  -4.584  23.389   7.190
  224   2HZ   LYS  29           HZ2      LYS  29  -6.130  22.815   6.781
  225   3HZ   LYS  29           HZ3      LYS  29  -4.779  21.791   6.658
  226    H    THR  30           HN       THR  30  -6.462  24.060  13.295
  227    HA   THR  30           HA       THR  30  -6.989  25.964  14.550
  228    HB   THR  30           HB       THR  30  -4.433  25.393  16.057
  229    HG1  THR  30           HG1      THR  30  -5.389  23.497  16.230
  230   1HG2  THR  30          HG21      THR  30  -6.117  26.153  17.933
  231   2HG2  THR  30          HG22      THR  30  -6.985  26.874  16.578
  232   3HG2  THR  30          HG23      THR  30  -5.325  27.360  16.921
  233    H    ARG  31           HN       ARG  31  -3.415  25.947  14.366
  234    HA   ARG  31           HA       ARG  31  -1.911  27.624  13.634
  235   1HB   ARG  31           HB2      ARG  31  -4.193  27.864  11.641
  236   2HB   ARG  31           HB1      ARG  31  -2.556  28.465  11.376
  237   1HG   ARG  31           HG2      ARG  31  -3.168  25.571  12.013
  238   2HG   ARG  31           HG1      ARG  31  -3.008  26.190  10.369
  239   1HD   ARG  31           HD2      ARG  31  -0.714  27.041  10.976
  240   2HD   ARG  31           HD1      ARG  31  -0.876  26.205  12.532
  241    HE   ARG  31           HE       ARG  31  -1.538  24.345  10.485
  242   1HH1  ARG  31          HH21      ARG  31   0.957  25.347  12.513
  243   2HH1  ARG  31          HH22      ARG  31   2.222  24.555  11.634
  244   1HH2  ARG  31          HH11      ARG  31   0.184  23.657   8.978
  245   2HH2  ARG  31          HH12      ARG  31   1.784  23.601   9.637
  246    H    ARG  32           HN       ARG  32  -2.947  30.144  12.214
  247    HA   ARG  32           HA       ARG  32  -3.009  31.905  14.430
  248   1HB   ARG  32           HB2      ARG  32  -3.904  32.158  11.548
  249   2HB   ARG  32           HB1      ARG  32  -3.850  33.532  12.654
  250   1HG   ARG  32           HG2      ARG  32  -1.443  33.099  13.057
  251   2HG   ARG  32           HG1      ARG  32  -1.501  31.755  11.917
  252   1HD   ARG  32           HD2      ARG  32  -2.279  34.587  11.146
  253   2HD   ARG  32           HD1      ARG  32  -0.645  33.934  10.922
  254    HE   ARG  32           HE       ARG  32  -3.044  32.577   9.751
  255   1HH1  ARG  32          HH21      ARG  32   0.215  32.216   9.879
  256   2HH1  ARG  32          HH22      ARG  32   0.511  32.331   8.177
  257   1HH2  ARG  32          HH11      ARG  32  -2.696  33.409   7.420
  258   2HH2  ARG  32          HH12      ARG  32  -1.137  33.003   6.784
  259    H    TYR  33           HN       TYR  33  -5.615  30.259  12.708
  260    HA   TYR  33           HA       TYR  33  -7.762  31.814  13.924
  261   1HB   TYR  33           HB2      TYR  33  -7.379  29.530  12.093
  262   2HB   TYR  33           HB1      TYR  33  -8.840  29.424  13.074
  263    HD1  TYR  33           HD1      TYR  33  -6.956  32.177  11.332
  264    HD2  TYR  33           HD2      TYR  33 -10.736  30.259  12.028
  265    HE1  TYR  33           HE1      TYR  33  -8.071  33.842   9.870
  266    HE2  TYR  33           HE2      TYR  33 -11.850  31.920  10.567
  267    HH   TYR  33           HH       TYR  33 -11.497  33.566   9.018
  268    HA   PRO  34           HA       PRO  34  -7.811  29.694  17.802
  269   1HB   PRO  34           HB2      PRO  34 -10.406  30.127  18.555
  270   2HB   PRO  34           HB1      PRO  34  -9.159  31.390  18.604
  271   1HG   PRO  34           HG2      PRO  34 -11.283  30.905  16.575
  272   2HG   PRO  34           HG1      PRO  34 -10.677  32.434  17.232
  273   1HD   PRO  34           HD2      PRO  34  -9.951  31.466  14.796
  274   2HD   PRO  34           HD1      PRO  34  -8.904  32.506  15.785
  275    H    GLY  35           HN       GLY  35 -10.686  29.098  15.757
  276   1HA   GLY  35           HA2      GLY  35 -10.951  26.380  16.873
  277   2HA   GLY  35           HA1      GLY  35 -12.054  27.137  15.723
  278    H    ASP  36           HN       ASP  36 -11.905  26.466  13.656
  279    HA   ASP  36           HA       ASP  36  -9.348  25.699  12.442
  280   1HB   ASP  36           HB2      ASP  36 -10.111  23.754  13.861
  281   2HB   ASP  36           HB1      ASP  36 -11.512  23.641  12.805
  282    H    VAL  37           HN       VAL  37  -9.509  26.345  10.328
  283    HA   VAL  37           HA       VAL  37 -12.014  27.202   9.176
  284    HB   VAL  37           HB       VAL  37  -9.298  26.645   7.932
  285   1HG1  VAL  37          HG11      VAL  37 -10.131  28.469   6.327
  286   2HG1  VAL  37          HG12      VAL  37 -11.736  28.163   6.992
  287   3HG1  VAL  37          HG13      VAL  37 -10.864  26.874   6.161
  288   1HG2  VAL  37          HG21      VAL  37  -9.201  29.241   8.177
  289   2HG2  VAL  37          HG22      VAL  37  -8.886  28.251   9.602
  290   3HG2  VAL  37          HG23      VAL  37 -10.462  29.015   9.389
  291    H    LYS  38           HN       LYS  38  -9.798  24.500   8.471
  292    HA   LYS  38           HA       LYS  38 -12.066  22.775   7.656
  293   1HB   LYS  38           HB2      LYS  38  -9.803  23.674   5.840
  294   2HB   LYS  38           HB1      LYS  38 -10.821  22.283   5.481
  295   1HG   LYS  38           HG2      LYS  38 -12.820  23.738   5.508
  296   2HG   LYS  38           HG1      LYS  38 -11.797  25.131   5.854
  297   1HD   LYS  38           HD2      LYS  38 -10.595  24.818   3.746
  298   2HD   LYS  38           HD1      LYS  38 -11.557  23.381   3.394
  299   1HE   LYS  38           HE2      LYS  38 -12.726  25.026   2.194
  300   2HE   LYS  38           HE1      LYS  38 -13.594  25.052   3.741
  301   1HZ   LYS  38           HZ1      LYS  38 -11.904  26.738   4.477
  302   2HZ   LYS  38           HZ2      LYS  38 -12.993  27.278   3.291
  303   3HZ   LYS  38           HZ3      LYS  38 -11.406  26.850   2.860
  304    H    ARG  39           HN       ARG  39 -11.399  20.494   7.620
  305    HA   ARG  39           HA       ARG  39  -9.289  19.826   9.466
  306   1HB   ARG  39           HB2      ARG  39 -11.034  18.255   7.555
  307   2HB   ARG  39           HB1      ARG  39  -9.882  17.475   8.637
  308   1HG   ARG  39           HG2      ARG  39 -11.988  19.398   9.642
  309   2HG   ARG  39           HG1      ARG  39 -12.285  17.665   9.497
  310   1HD   ARG  39           HD2      ARG  39  -9.959  18.840  11.062
  311   2HD   ARG  39           HD1      ARG  39 -11.494  18.337  11.795
  312    HE   ARG  39           HE       ARG  39  -9.499  16.527  10.558
  313   1HH1  ARG  39          HH21      ARG  39 -10.584  16.069  13.298
  314   2HH1  ARG  39          HH22      ARG  39 -11.767  14.833  13.026
  315   1HH2  ARG  39          HH11      ARG  39 -11.904  15.345   9.600
  316   2HH2  ARG  39          HH12      ARG  39 -12.515  14.424  10.934
  317    H    GLY  40           HN       GLY  40  -9.642  19.699   5.946
  318   1HA   GLY  40           HA2      GLY  40  -7.809  20.046   4.413
  319   2HA   GLY  40           HA1      GLY  40  -6.689  19.583   5.693
  320    H    ILE  41           HN       ILE  41  -7.701  17.187   6.555
  321    HA   ILE  41           HA       ILE  41  -6.847  15.368   4.467
  322    HB   ILE  41           HB       ILE  41  -8.209  14.935   7.148
  323   1HG1  ILE  41          HG12      ILE  41  -5.274  14.751   6.409
  324   2HG1  ILE  41          HG11      ILE  41  -6.004  16.194   7.112
  325   1HG2  ILE  41          HG21      ILE  41  -6.704  12.723   6.753
  326   2HG2  ILE  41          HG22      ILE  41  -7.124  13.088   5.079
  327   3HG2  ILE  41          HG23      ILE  41  -8.397  12.819   6.270
  328   1HD1  ILE  41          HD11      ILE  41  -5.044  14.902   8.915
  329   2HD1  ILE  41          HD12      ILE  41  -5.848  13.436   8.357
  330   3HD1  ILE  41          HD13      ILE  41  -6.798  14.761   9.029
  331    H    VAL  42           HN       VAL  42 -10.019  16.193   5.847
  332    HA   VAL  42           HA       VAL  42 -11.530  14.213   4.411
  333    HB   VAL  42           HB       VAL  42 -13.447  15.579   5.146
  334   1HG1  VAL  42          HG11      VAL  42 -12.533  14.140   6.821
  335   2HG1  VAL  42          HG12      VAL  42 -12.818  15.695   7.604
  336   3HG1  VAL  42          HG13      VAL  42 -11.185  15.236   7.123
  337   1HG2  VAL  42          HG21      VAL  42 -12.758  17.671   6.555
  338   2HG2  VAL  42          HG22      VAL  42 -12.849  17.823   4.801
  339   3HG2  VAL  42          HG23      VAL  42 -11.285  17.633   5.588
  340    H    GLU  43           HN       GLU  43 -10.782  17.609   3.670
  341    HA   GLU  43           HA       GLU  43 -12.465  17.817   1.372
  342   1HB   GLU  43           HB2      GLU  43 -11.115  19.854   0.942
  343   2HB   GLU  43           HB1      GLU  43 -11.606  19.732   2.630
  344   1HG   GLU  43           HG2      GLU  43  -9.415  18.896   3.259
  345   2HG   GLU  43           HG1      GLU  43  -8.911  18.829   1.571
  346    H    GLN  44           HN       GLN  44  -9.161  16.601   1.745
  347    HA   GLN  44           HA       GLN  44  -8.387  16.700  -1.017
  348   1HB   GLN  44           HB2      GLN  44  -7.615  14.942   1.324
  349   2HB   GLN  44           HB1      GLN  44  -6.794  14.868  -0.236
  350   1HG   GLN  44           HG2      GLN  44  -6.156  17.203  -0.075
  351   2HG   GLN  44           HG1      GLN  44  -7.103  17.401   1.396
  352   1HE2  GLN  44          HE21      GLN  44  -4.107  17.679   0.963
  353   2HE2  GLN  44          HE22      GLN  44  -3.404  16.622   2.090
  354    H    CYS  45           HN       CYS  45 -10.088  14.173   0.860
  355    HA   CYS  45           HA       CYS  45 -10.205  12.350  -1.438
  356   1HB   CYS  45           HB2      CYS  45 -11.470  12.382   1.318
  357   2HB   CYS  45           HB1      CYS  45 -11.617  11.035   0.189
  358    H    CYS  46           HN       CYS  46 -12.249  14.814  -0.019
  359    HA   CYS  46           HA       CYS  46 -14.737  14.018  -1.251
  360   1HB   CYS  46           HB2      CYS  46 -13.582  16.603  -0.181
  361   2HB   CYS  46           HB1      CYS  46 -15.231  16.501  -0.802
  362    H    THR  47           HN       THR  47 -12.043  16.097  -2.243
  363    HA   THR  47           HA       THR  47 -13.256  17.104  -4.665
  364    HB   THR  47           HB       THR  47 -10.360  16.762  -3.810
  365    HG1  THR  47           HG1      THR  47 -12.235  18.865  -3.527
  366   1HG2  THR  47          HG21      THR  47  -9.866  17.531  -5.870
  367   2HG2  THR  47          HG22      THR  47 -10.642  19.046  -5.408
  368   3HG2  THR  47          HG23      THR  47 -11.568  17.802  -6.246
  369    H    SER  48           HN       SER  48 -11.099  14.336  -3.981
  370    HA   SER  48           HA       SER  48 -11.828  13.205  -6.654
  371   1HB   SER  48           HB2      SER  48  -9.029  13.249  -5.496
  372   2HB   SER  48           HB1      SER  48  -9.506  12.781  -7.126
  373    HG   SER  48           HG       SER  48  -8.777  14.875  -7.218
  374    H    ILE  49           HN       ILE  49 -11.590  10.864  -6.738
  375    HA   ILE  49           HA       ILE  49 -12.388   9.459  -4.379
  376    HB   ILE  49           HB       ILE  49 -11.127   8.551  -6.993
  377   1HG1  ILE  49          HG12      ILE  49 -14.035   8.455  -6.183
  378   2HG1  ILE  49          HG11      ILE  49 -13.339   9.893  -6.928
  379   1HG2  ILE  49          HG21      ILE  49 -12.497   6.413  -6.363
  380   2HG2  ILE  49          HG22      ILE  49 -12.387   7.030  -4.715
  381   3HG2  ILE  49          HG23      ILE  49 -10.918   6.655  -5.616
  382   1HD1  ILE  49          HD11      ILE  49 -14.245   7.504  -8.213
  383   2HD1  ILE  49          HD12      ILE  49 -12.503   7.622  -8.460
  384   3HD1  ILE  49          HD13      ILE  49 -13.556   8.946  -8.957
  385    H    CYS  50           HN       CYS  50 -11.149   8.888  -2.645
  386    HA   CYS  50           HA       CYS  50  -8.201   9.033  -2.795
  387   1HB   CYS  50           HB2      CYS  50 -10.354   9.020  -0.764
  388   2HB   CYS  50           HB1      CYS  50  -8.884   8.186  -0.265
  389    H    SER  51           HN       SER  51  -6.861   7.234  -2.802
  390    HA   SER  51           HA       SER  51  -8.047   4.621  -3.372
  391   1HB   SER  51           HB2      SER  51  -5.669   4.006  -3.657
  392   2HB   SER  51           HB1      SER  51  -6.033   5.512  -4.492
  393    HG   SER  51           HG       SER  51  -4.343   6.129  -3.355
  394    H    LEU  52           HN       LEU  52  -7.516   2.684  -2.132
  395    HA   LEU  52           HA       LEU  52  -8.031   2.846   0.652
  396   1HB   LEU  52           HB2      LEU  52  -8.439   0.882  -0.788
  397   2HB   LEU  52           HB1      LEU  52  -6.702   0.675  -0.999
  398    HG   LEU  52           HG       LEU  52  -6.451   0.325   1.442
  399   1HD1  LEU  52          HD11      LEU  52  -8.715  -0.174   2.636
  400   2HD1  LEU  52          HD12      LEU  52  -9.424   0.817   1.361
  401   3HD1  LEU  52          HD13      LEU  52  -8.220   1.508   2.448
  402   1HD2  LEU  52          HD21      LEU  52  -7.960  -1.827   1.489
  403   2HD2  LEU  52          HD22      LEU  52  -6.644  -1.717   0.320
  404   3HD2  LEU  52          HD23      LEU  52  -8.302  -1.394  -0.186
  405    H    TYR  53           HN       TYR  53  -4.961   2.522  -1.117
  406    HA   TYR  53           HA       TYR  53  -3.227   2.051   1.077
  407   1HB   TYR  53           HB2      TYR  53  -2.645   1.835  -1.304
  408   2HB   TYR  53           HB1      TYR  53  -2.784   3.577  -1.484
  409    HD1  TYR  53           HD1      TYR  53  -1.191   5.100  -0.279
  410    HD2  TYR  53           HD2      TYR  53  -0.690   0.834  -0.353
  411    HE1  TYR  53           HE1      TYR  53   1.167   5.364   0.443
  412    HE2  TYR  53           HE2      TYR  53   1.667   1.099   0.370
  413    HH   TYR  53           HH       TYR  53   3.261   4.126   0.362
  414    H    GLN  54           HN       GLN  54  -4.400   5.128  -0.295
  415    HA   GLN  54           HA       GLN  54  -2.799   6.823   1.417
  416   1HB   GLN  54           HB2      GLN  54  -5.321   7.210  -0.212
  417   2HB   GLN  54           HB1      GLN  54  -4.503   8.538   0.617
  418   1HG   GLN  54           HG2      GLN  54  -2.477   8.168  -0.645
  419   2HG   GLN  54           HG1      GLN  54  -3.130   6.691  -1.353
  420   1HE2  GLN  54          HE21      GLN  54  -2.230   8.996  -2.904
  421   2HE2  GLN  54          HE22      GLN  54  -3.584   9.605  -3.727
  422    H    LEU  55           HN       LEU  55  -6.131   5.556   1.661
  423    HA   LEU  55           HA       LEU  55  -6.952   7.013   3.976
  424   1HB   LEU  55           HB2      LEU  55  -7.622   4.264   2.883
  425   2HB   LEU  55           HB1      LEU  55  -8.501   5.005   4.219
  426    HG   LEU  55           HG       LEU  55  -8.131   6.402   1.564
  427   1HD1  LEU  55          HD11      LEU  55  -9.413   4.648   0.797
  428   2HD1  LEU  55          HD12      LEU  55 -10.703   5.639   1.479
  429   3HD1  LEU  55          HD13      LEU  55 -10.055   4.280   2.398
  430   1HD2  LEU  55          HD21      LEU  55 -10.492   6.846   3.305
  431   2HD2  LEU  55          HD22      LEU  55  -9.496   8.017   2.442
  432   3HD2  LEU  55          HD23      LEU  55  -8.951   7.366   3.987
  433    H    GLU  56           HN       GLU  56  -5.375   3.822   3.688
  434    HA   GLU  56           HA       GLU  56  -5.196   3.227   6.476
  435   1HB   GLU  56           HB2      GLU  56  -3.508   2.495   4.063
  436   2HB   GLU  56           HB1      GLU  56  -3.282   1.758   5.650
  437   1HG   GLU  56           HG2      GLU  56  -5.634   0.999   5.637
  438   2HG   GLU  56           HG1      GLU  56  -5.861   1.732   4.050
  439    H    ASN  57           HN       ASN  57  -3.028   5.028   4.299
  440    HA   ASN  57           HA       ASN  57  -0.856   5.469   6.107
  441   1HB   ASN  57           HB2      ASN  57  -0.828   5.893   3.668
  442   2HB   ASN  57           HB1      ASN  57  -1.990   7.202   3.880
  443   1HD2  ASN  57          HD21      ASN  57  -1.061   9.241   4.083
  444   2HD2  ASN  57          HD22      ASN  57   0.524   9.544   4.609
  445    H    TYR  58           HN       TYR  58  -3.806   7.387   5.479
  446    HA   TYR  58           HA       TYR  58  -3.269   9.529   7.288
  447   1HB   TYR  58           HB2      TYR  58  -5.721   8.250   6.104
  448   2HB   TYR  58           HB1      TYR  58  -5.880   9.556   7.277
  449    HD1  TYR  58           HD1      TYR  58  -4.139  11.574   6.834
  450    HD2  TYR  58           HD2      TYR  58  -5.654   8.885   3.846
  451    HE1  TYR  58           HE1      TYR  58  -3.619  13.239   5.074
  452    HE2  TYR  58           HE2      TYR  58  -5.131  10.552   2.083
  453    HH   TYR  58           HH       TYR  58  -4.569  13.718   2.657
  454    H    CYS  59           HN       CYS  59  -4.675   6.321   7.794
  455    HA   CYS  59           HA       CYS  59  -5.273   6.870  10.630
  456   1HB   CYS  59           HB2      CYS  59  -5.685   4.694   8.619
  457   2HB   CYS  59           HB1      CYS  59  -5.747   4.258  10.327
  458    H    ASN  60           HN       ASN  60  -2.520   5.905   8.838
  459    HA   ASN  60           HA       ASN  60  -1.377   3.969  10.666
  460   1HB   ASN  60           HB2      ASN  60  -0.348   5.785   8.486
  461   2HB   ASN  60           HB1      ASN  60   0.757   4.784   9.421
  462   1HD2  ASN  60          HD21      ASN  60   0.714   4.136   6.790
  463   2HD2  ASN  60          HD22      ASN  60  -0.191   2.729   6.500
  Start of MODEL    3
    1   1H    PHE   1           HT1      PHE   1 -18.685  -1.141 -13.064
    2   2H    PHE   1           HT2      PHE   1 -18.897   0.516 -12.750
    3   3H    PHE   1           HT3      PHE   1 -19.815  -0.636 -11.904
    4    HA   PHE   1           HA       PHE   1 -17.916  -1.417 -10.712
    5   1HB   PHE   1           HB2      PHE   1 -16.577  -1.115 -12.899
    6   2HB   PHE   1           HB1      PHE   1 -16.305   0.542 -12.360
    7    HD1  PHE   1           HD1      PHE   1 -15.433  -2.960 -11.889
    8    HD2  PHE   1           HD2      PHE   1 -15.128   0.973 -10.191
    9    HE1  PHE   1           HE1      PHE   1 -13.606  -3.743 -10.406
   10    HE2  PHE   1           HE2      PHE   1 -13.302   0.191  -8.707
   11    HZ   PHE   1           HZ       PHE   1 -12.541  -2.167  -8.814
   12    H    VAL   2           HN       VAL   2 -17.962  -0.433  -8.721
   13    HA   VAL   2           HA       VAL   2 -18.945   2.247  -8.385
   14    HB   VAL   2           HB       VAL   2 -18.540   1.726  -5.977
   15   1HG1  VAL   2          HG11      VAL   2 -20.031  -0.002  -7.868
   16   2HG1  VAL   2          HG12      VAL   2 -20.610   0.904  -6.470
   17   3HG1  VAL   2          HG13      VAL   2 -19.814  -0.654  -6.244
   18   1HG2  VAL   2          HG21      VAL   2 -17.111   0.099  -5.309
   19   2HG2  VAL   2          HG22      VAL   2 -16.529   0.068  -6.972
   20   3HG2  VAL   2          HG23      VAL   2 -17.776  -1.063  -6.455
   21    H    ASN   3           HN       ASN   3 -17.863   4.111  -7.893
   22    HA   ASN   3           HA       ASN   3 -15.053   4.190  -7.082
   23   1HB   ASN   3           HB2      ASN   3 -15.927   4.369  -9.895
   24   2HB   ASN   3           HB1      ASN   3 -14.907   5.717  -9.390
   25   1HD2  ASN   3          HD21      ASN   3 -13.127   4.514  -7.616
   26   2HD2  ASN   3          HD22      ASN   3 -12.229   3.314  -8.413
   27    H    GLN   4           HN       GLN   4 -17.151   5.162  -5.723
   28    HA   GLN   4           HA       GLN   4 -17.841   7.918  -6.445
   29   1HB   GLN   4           HB2      GLN   4 -18.348   6.212  -3.990
   30   2HB   GLN   4           HB1      GLN   4 -19.149   7.741  -4.345
   31   1HG   GLN   4           HG2      GLN   4 -20.068   6.790  -6.427
   32   2HG   GLN   4           HG1      GLN   4 -19.255   5.259  -6.094
   33   1HE2  GLN   4          HE21      GLN   4 -22.146   5.541  -6.322
   34   2HE2  GLN   4          HE22      GLN   4 -22.812   5.155  -4.809
   35    H    HIS   5           HN       HIS   5 -17.638   9.628  -4.685
   36    HA   HIS   5           HA       HIS   5 -14.838  10.028  -3.986
   37   1HB   HIS   5           HB2      HIS   5 -17.434  11.494  -3.425
   38   2HB   HIS   5           HB1      HIS   5 -15.859  12.115  -2.938
   39    HD1  HIS   5           HD1      HIS   5 -14.381  13.148  -4.740
   40    HD2  HIS   5           HD2      HIS   5 -17.813  11.365  -6.297
   41    HE1  HIS   5           HE1      HIS   5 -14.503  13.833  -7.175
   42    H    LEU   6           HN       LEU   6 -14.145  10.529  -1.735
   43    HA   LEU   6           HA       LEU   6 -15.192   8.558   0.173
   44   1HB   LEU   6           HB2      LEU   6 -12.804  10.366  -0.040
   45   2HB   LEU   6           HB1      LEU   6 -13.162   9.522   1.465
   46    HG   LEU   6           HG       LEU   6 -13.318   7.394   0.072
   47   1HD1  LEU   6          HD11      LEU   6 -11.626   7.858  -2.005
   48   2HD1  LEU   6          HD12      LEU   6 -12.499   9.390  -1.968
   49   3HD1  LEU   6          HD13      LEU   6 -13.382   7.877  -2.166
   50   1HD2  LEU   6          HD21      LEU   6 -10.678   7.464  -0.213
   51   2HD2  LEU   6          HD22      LEU   6 -11.416   7.482   1.390
   52   3HD2  LEU   6          HD23      LEU   6 -10.859   8.985   0.659
   53    H    CYS   7           HN       CYS   7 -16.005  11.712  -0.531
   54    HA   CYS   7           HA       CYS   7 -16.256  12.684   2.238
   55   1HB   CYS   7           HB2      CYS   7 -16.082  13.767  -0.378
   56   2HB   CYS   7           HB1      CYS   7 -17.683  14.201   0.215
   57    H    GLY   8           HN       GLY   8 -18.753  13.954   2.086
   58   1HA   GLY   8           HA2      GLY   8 -21.014  13.544   2.519
   59   2HA   GLY   8           HA1      GLY   8 -20.941  12.472   1.122
   60    H    SER   9           HN       SER   9 -21.889  10.562   1.771
   61    HA   SER   9           HA       SER   9 -21.911   9.621   4.515
   62   1HB   SER   9           HB2      SER   9 -23.615   9.247   2.664
   63   2HB   SER   9           HB1      SER   9 -22.490   8.082   1.973
   64    HG   SER   9           HG       SER   9 -24.136   7.877   4.150
   65    H    HIS  10           HN       HIS  10 -19.986   8.762   1.659
   66    HA   HIS  10           HA       HIS  10 -18.781   6.377   2.641
   67   1HB   HIS  10           HB2      HIS  10 -18.781   7.464   0.305
   68   2HB   HIS  10           HB1      HIS  10 -17.427   8.434   0.888
   69    HD1  HIS  10           HD1      HIS  10 -18.371   4.950  -0.091
   70    HD2  HIS  10           HD2      HIS  10 -15.025   6.946   1.393
   71    HE1  HIS  10           HE1      HIS  10 -16.424   3.346  -0.314
   72    H    LEU  11           HN       LEU  11 -18.002   9.765   3.255
   73    HA   LEU  11           HA       LEU  11 -15.357   9.488   4.283
   74   1HB   LEU  11           HB2      LEU  11 -16.516  11.603   3.754
   75   2HB   LEU  11           HB1      LEU  11 -17.628  11.345   5.090
   76    HG   LEU  11           HG       LEU  11 -14.732  11.248   5.756
   77   1HD1  LEU  11          HD11      LEU  11 -14.949  13.861   5.988
   78   2HD1  LEU  11          HD12      LEU  11 -16.148  13.681   4.708
   79   3HD1  LEU  11          HD13      LEU  11 -14.485  13.160   4.438
   80   1HD2  LEU  11          HD21      LEU  11 -17.259  12.378   6.987
   81   2HD2  LEU  11          HD22      LEU  11 -15.662  12.637   7.689
   82   3HD2  LEU  11          HD23      LEU  11 -16.309  11.003   7.549
   83    H    VAL  12           HN       VAL  12 -18.484   9.470   6.035
   84    HA   VAL  12           HA       VAL  12 -17.416   8.951   8.639
   85    HB   VAL  12           HB       VAL  12 -20.094   8.378   7.315
   86   1HG1  VAL  12          HG11      VAL  12 -21.012   8.229   9.605
   87   2HG1  VAL  12          HG12      VAL  12 -19.385   8.382  10.269
   88   3HG1  VAL  12          HG13      VAL  12 -19.821   6.960   9.321
   89   1HG2  VAL  12          HG21      VAL  12 -18.978  10.780   7.755
   90   2HG2  VAL  12          HG22      VAL  12 -19.661  10.508   9.358
   91   3HG2  VAL  12          HG23      VAL  12 -20.710  10.506   7.941
   92    H    GLU  13           HN       GLU  13 -18.788   6.747   6.199
   93    HA   GLU  13           HA       GLU  13 -18.442   4.310   7.604
   94   1HB   GLU  13           HB2      GLU  13 -18.445   5.041   4.667
   95   2HB   GLU  13           HB1      GLU  13 -18.477   3.373   5.237
   96   1HG   GLU  13           HG2      GLU  13 -20.497   5.459   6.094
   97   2HG   GLU  13           HG1      GLU  13 -20.754   4.363   4.737
   98    H    ALA  14           HN       ALA  14 -16.284   5.856   5.223
   99    HA   ALA  14           HA       ALA  14 -14.237   3.905   5.209
  100   1HB   ALA  14           HB1      ALA  14 -12.860   5.842   4.365
  101   2HB   ALA  14           HB2      ALA  14 -14.210   6.900   4.776
  102   3HB   ALA  14           HB3      ALA  14 -14.412   5.650   3.549
  103    H    LEU  15           HN       LEU  15 -14.479   6.858   7.230
  104    HA   LEU  15           HA       LEU  15 -11.964   6.631   8.526
  105   1HB   LEU  15           HB2      LEU  15 -14.640   7.766   9.366
  106   2HB   LEU  15           HB1      LEU  15 -13.162   8.016  10.295
  107    HG   LEU  15           HG       LEU  15 -13.427   8.709   7.358
  108   1HD1  LEU  15          HD11      LEU  15 -13.803  10.985   8.000
  109   2HD1  LEU  15          HD12      LEU  15 -13.492  10.627   9.698
  110   3HD1  LEU  15          HD13      LEU  15 -14.955  10.020   8.922
  111   1HD2  LEU  15          HD21      LEU  15 -11.446  10.256   8.305
  112   2HD2  LEU  15          HD22      LEU  15 -11.151   8.620   7.715
  113   3HD2  LEU  15          HD23      LEU  15 -11.305   8.919   9.446
  114    H    TYR  16           HN       TYR  16 -15.152   5.438   9.710
  115    HA   TYR  16           HA       TYR  16 -14.043   4.220  12.086
  116   1HB   TYR  16           HB2      TYR  16 -16.637   4.166  10.579
  117   2HB   TYR  16           HB1      TYR  16 -16.388   3.036  11.911
  118    HD1  TYR  16           HD1      TYR  16 -16.114   3.822  14.208
  119    HD2  TYR  16           HD2      TYR  16 -16.703   6.587  10.973
  120    HE1  TYR  16           HE1      TYR  16 -16.574   5.632  15.839
  121    HE2  TYR  16           HE2      TYR  16 -17.165   8.396  12.605
  122    HH   TYR  16           HH       TYR  16 -16.437   8.151  15.873
  123    H    LEU  17           HN       LEU  17 -15.014   2.806   8.935
  124    HA   LEU  17           HA       LEU  17 -14.445   0.101   9.691
  125   1HB   LEU  17           HB2      LEU  17 -15.076   1.628   7.253
  126   2HB   LEU  17           HB1      LEU  17 -14.307   0.068   7.001
  127    HG   LEU  17           HG       LEU  17 -16.054  -0.898   8.591
  128   1HD1  LEU  17          HD11      LEU  17 -16.898   1.941   8.453
  129   2HD1  LEU  17          HD12      LEU  17 -17.152   0.752   9.728
  130   3HD1  LEU  17          HD13      LEU  17 -18.193   0.754   8.305
  131   1HD2  LEU  17          HD21      LEU  17 -17.510  -1.322   6.812
  132   2HD2  LEU  17          HD22      LEU  17 -16.052  -0.810   5.962
  133   3HD2  LEU  17          HD23      LEU  17 -17.385   0.322   6.187
  134    H    VAL  18           HN       VAL  18 -12.476   2.549   7.989
  135    HA   VAL  18           HA       VAL  18 -10.314   0.774   7.331
  136    HB   VAL  18           HB       VAL  18 -10.511   3.758   7.681
  137   1HG1  VAL  18          HG11      VAL  18  -8.482   3.565   5.990
  138   2HG1  VAL  18          HG12      VAL  18  -8.254   2.007   6.784
  139   3HG1  VAL  18          HG13      VAL  18  -8.202   3.495   7.730
  140   1HG2  VAL  18          HG21      VAL  18 -10.237   2.442   5.032
  141   2HG2  VAL  18          HG22      VAL  18 -11.194   3.850   5.492
  142   3HG2  VAL  18          HG23      VAL  18 -11.778   2.227   5.861
  143    H    CYS  19           HN       CYS  19 -10.728   3.081  10.034
  144    HA   CYS  19           HA       CYS  19  -8.205   2.438  11.288
  145   1HB   CYS  19           HB2      CYS  19 -10.752   3.769  12.146
  146   2HB   CYS  19           HB1      CYS  19  -9.389   3.598  13.248
  147    H    GLY  20           HN       GLY  20 -11.532   1.283  11.761
  148   1HA   GLY  20           HA2      GLY  20 -12.316  -0.692  12.739
  149   2HA   GLY  20           HA1      GLY  20 -10.651  -1.260  12.759
  150    H    GLU  21           HN       GLU  21 -11.268   1.781  14.307
  151    HA   GLU  21           HA       GLU  21 -11.378   0.465  16.966
  152   1HB   GLU  21           HB2      GLU  21  -9.047   1.158  16.136
  153   2HB   GLU  21           HB1      GLU  21  -9.607   2.823  16.296
  154   1HG   GLU  21           HG2      GLU  21 -10.120   2.418  18.678
  155   2HG   GLU  21           HG1      GLU  21  -9.562   0.758  18.519
  156    H    ARG  22           HN       ARG  22 -12.727   1.552  18.415
  157    HA   ARG  22           HA       ARG  22 -14.401   3.690  17.334
  158   1HB   ARG  22           HB2      ARG  22 -14.362   2.027  19.854
  159   2HB   ARG  22           HB1      ARG  22 -15.587   3.260  19.547
  160   1HG   ARG  22           HG2      ARG  22 -16.210   2.122  17.445
  161   2HG   ARG  22           HG1      ARG  22 -14.989   0.887  17.751
  162   1HD   ARG  22           HD2      ARG  22 -16.153   0.232  19.830
  163   2HD   ARG  22           HD1      ARG  22 -17.381   1.479  19.535
  164    HE   ARG  22           HE       ARG  22 -18.317   0.072  17.886
  165   1HH1  ARG  22          HH21      ARG  22 -16.459  -2.019  19.402
  166   2HH1  ARG  22          HH22      ARG  22 -15.860  -2.884  18.026
  167   1HH2  ARG  22          HH11      ARG  22 -16.950  -0.524  15.733
  168   2HH2  ARG  22          HH12      ARG  22 -16.138  -2.038  15.951
  169    H    GLY  23           HN       GLY  23 -11.502   3.696  19.103
  170   1HA   GLY  23           HA2      GLY  23 -12.062   6.472  20.035
  171   2HA   GLY  23           HA1      GLY  23 -11.299   5.321  21.131
  172    H    PHE  24           HN       PHE  24 -10.808   6.127  17.680
  173    HA   PHE  24           HA       PHE  24  -7.905   5.867  17.953
  174   1HB   PHE  24           HB2      PHE  24  -7.985   6.629  15.531
  175   2HB   PHE  24           HB1      PHE  24  -8.929   5.188  15.887
  176    HD1  PHE  24           HD1      PHE  24  -9.351   8.931  15.819
  177    HD2  PHE  24           HD2      PHE  24 -11.104   5.083  15.083
  178    HE1  PHE  24           HE1      PHE  24 -11.377  10.031  14.915
  179    HE2  PHE  24           HE2      PHE  24 -13.134   6.183  14.180
  180    HZ   PHE  24           HZ       PHE  24 -13.270   8.657  14.095
  181    H    PHE  25           HN       PHE  25  -6.368   7.588  17.596
  182    HA   PHE  25           HA       PHE  25  -7.044  10.084  18.895
  183   1HB   PHE  25           HB2      PHE  25  -4.667   8.746  17.699
  184   2HB   PHE  25           HB1      PHE  25  -4.585  10.495  17.899
  185    HD1  PHE  25           HD1      PHE  25  -4.660   7.259  19.605
  186    HD2  PHE  25           HD2      PHE  25  -4.812  11.518  20.143
  187    HE1  PHE  25           HE1      PHE  25  -4.165   6.973  22.019
  188    HE2  PHE  25           HE2      PHE  25  -4.319  11.232  22.556
  189    HZ   PHE  25           HZ       PHE  25  -3.995   8.960  23.494
  190    H    TYR  26           HN       TYR  26  -5.786   9.400  15.605
  191    HA   TYR  26           HA       TYR  26  -5.969  10.623  13.595
  192   1HB   TYR  26           HB2      TYR  26  -8.505  10.309  14.775
  193   2HB   TYR  26           HB1      TYR  26  -8.452  11.994  14.275
  194    HD1  TYR  26           HD1      TYR  26  -8.161   8.486  13.108
  195    HD2  TYR  26           HD2      TYR  26  -8.400  12.616  11.953
  196    HE1  TYR  26           HE1      TYR  26  -8.537   7.806  10.752
  197    HE2  TYR  26           HE2      TYR  26  -8.775  11.937   9.598
  198    HH   TYR  26           HH       TYR  26  -8.045   9.184   8.343
  199    H    THR  27           HN       THR  27  -4.510  11.875  15.751
  200    HA   THR  27           HA       THR  27  -5.288  14.685  15.882
  201    HB   THR  27           HB       THR  27  -2.640  13.498  16.692
  202    HG1  THR  27           HG1      THR  27  -3.560  12.510  18.349
  203   1HG2  THR  27          HG21      THR  27  -3.414  15.089  18.709
  204   2HG2  THR  27          HG22      THR  27  -4.332  15.841  17.404
  205   3HG2  THR  27          HG23      THR  27  -2.577  15.714  17.288
  206    HA   PRO  28           HA       PRO  28  -2.815  15.355  12.160
  207   1HB   PRO  28           HB2      PRO  28  -3.878  17.776  11.490
  208   2HB   PRO  28           HB1      PRO  28  -4.696  16.239  11.153
  209   1HG   PRO  28           HG2      PRO  28  -5.314  18.288  13.161
  210   2HG   PRO  28           HG1      PRO  28  -6.360  17.060  12.438
  211   1HD   PRO  28           HD2      PRO  28  -5.130  17.001  15.003
  212   2HD   PRO  28           HD1      PRO  28  -6.096  15.726  14.233
  213    H    LYS  29           HN       LYS  29  -1.501  17.410  11.401
  214    HA   LYS  29           HA       LYS  29   0.305  18.179  13.498
  215   1HB   LYS  29           HB2      LYS  29   0.882  17.921  11.105
  216   2HB   LYS  29           HB1      LYS  29  -0.166  19.282  10.707
  217   1HG   LYS  29           HG2      LYS  29   1.251  20.839  11.774
  218   2HG   LYS  29           HG1      LYS  29   2.093  19.581  12.683
  219   1HD   LYS  29           HD2      LYS  29   3.535  20.313  10.865
  220   2HD   LYS  29           HD1      LYS  29   2.972  18.680  10.515
  221   1HE   LYS  29           HE2      LYS  29   1.047  19.856   9.205
  222   2HE   LYS  29           HE1      LYS  29   2.109  21.276   9.243
  223   1HZ   LYS  29           HZ1      LYS  29   3.099  18.598   8.449
  224   2HZ   LYS  29           HZ2      LYS  29   3.827  20.111   8.186
  225   3HZ   LYS  29           HZ3      LYS  29   2.434  19.672   7.318
  226    H    THR  30           HN       THR  30  -2.306  19.853  11.791
  227    HA   THR  30           HA       THR  30  -3.298  21.980  12.114
  228    HB   THR  30           HB       THR  30  -4.395  20.349  13.596
  229    HG1  THR  30           HG1      THR  30  -4.062  22.872  14.840
  230   1HG2  THR  30          HG21      THR  30  -3.765  20.546  16.087
  231   2HG2  THR  30          HG22      THR  30  -2.249  21.247  15.520
  232   3HG2  THR  30          HG23      THR  30  -2.687  19.603  15.057
  233    H    ARG  31           HN       ARG  31  -0.264  22.171  12.513
  234    HA   ARG  31           HA       ARG  31   0.183  23.886  14.781
  235   1HB   ARG  31           HB2      ARG  31   1.693  23.342  12.218
  236   2HB   ARG  31           HB1      ARG  31   2.327  24.378  13.498
  237   1HG   ARG  31           HG2      ARG  31   1.864  22.407  15.088
  238   2HG   ARG  31           HG1      ARG  31   1.686  21.430  13.634
  239   1HD   ARG  31           HD2      ARG  31   4.149  23.076  14.323
  240   2HD   ARG  31           HD1      ARG  31   4.011  21.318  14.506
  241    HE   ARG  31           HE       ARG  31   3.248  22.011  11.843
  242   1HH1  ARG  31          HH11      ARG  31   5.593  23.789  11.972
  243   2HH1  ARG  31          HH12      ARG  31   6.909  22.737  11.570
  244   1HH2  ARG  31          HH21      ARG  31   5.122  19.829  12.174
  245   2HH2  ARG  31          HH22      ARG  31   6.643  20.498  11.684
  246    H    ARG  32           HN       ARG  32  -0.520  24.531  11.347
  247    HA   ARG  32           HA       ARG  32  -0.157  27.357  11.408
  248   1HB   ARG  32           HB2      ARG  32  -0.380  25.823   9.417
  249   2HB   ARG  32           HB1      ARG  32  -2.112  25.749   9.743
  250   1HG   ARG  32           HG2      ARG  32  -1.878  27.475   8.128
  251   2HG   ARG  32           HG1      ARG  32  -2.062  28.321   9.666
  252   1HD   ARG  32           HD2      ARG  32   0.529  28.279   9.782
  253   2HD   ARG  32           HD1      ARG  32   0.457  27.900   8.050
  254    HE   ARG  32           HE       ARG  32  -0.414  30.075   7.643
  255   1HH1  ARG  32          HH11      ARG  32   0.918  30.009  10.666
  256   2HH1  ARG  32          HH12      ARG  32  -0.047  31.280  11.339
  257   1HH2  ARG  32          HH21      ARG  32  -2.225  31.417   8.646
  258   2HH2  ARG  32          HH22      ARG  32  -1.823  32.078  10.196
  259    H    TYR  33           HN       TYR  33  -3.240  25.515  11.567
  260    HA   TYR  33           HA       TYR  33  -4.358  27.423  13.511
  261   1HB   TYR  33           HB2      TYR  33  -4.847  27.469  10.595
  262   2HB   TYR  33           HB1      TYR  33  -6.305  27.492  11.574
  263    HD1  TYR  33           HD1      TYR  33  -4.607  29.658   9.784
  264    HD2  TYR  33           HD2      TYR  33  -5.430  29.051  13.958
  265    HE1  TYR  33           HE1      TYR  33  -4.288  32.081  10.206
  266    HE2  TYR  33           HE2      TYR  33  -5.109  31.470  14.375
  267    HH   TYR  33           HH       TYR  33  -3.603  33.413  12.860
  268    HA   PRO  34           HA       PRO  34  -6.824  23.883  14.465
  269   1HB   PRO  34           HB2      PRO  34  -9.245  24.929  15.178
  270   2HB   PRO  34           HB1      PRO  34  -7.797  25.074  16.194
  271   1HG   PRO  34           HG2      PRO  34  -9.058  27.077  14.399
  272   2HG   PRO  34           HG1      PRO  34  -8.259  27.302  15.962
  273   1HD   PRO  34           HD2      PRO  34  -7.096  27.855  13.538
  274   2HD   PRO  34           HD1      PRO  34  -6.193  27.480  15.021
  275    H    GLY  35           HN       GLY  35  -8.814  26.214  12.617
  276   1HA   GLY  35           HA2      GLY  35  -9.513  25.632  10.309
  277   2HA   GLY  35           HA1      GLY  35  -9.649  23.957  10.842
  278    H    ASP  36           HN       ASP  36 -10.980  27.184  11.640
  279    HA   ASP  36           HA       ASP  36 -13.413  26.066  12.816
  280   1HB   ASP  36           HB2      ASP  36 -12.542  28.837  11.929
  281   2HB   ASP  36           HB1      ASP  36 -14.045  28.515  12.794
  282    H    VAL  37           HN       VAL  37 -15.481  26.014  11.825
  283    HA   VAL  37           HA       VAL  37 -17.027  25.780  10.072
  284    HB   VAL  37           HB       VAL  37 -15.268  27.960   8.892
  285   1HG1  VAL  37          HG11      VAL  37 -16.644  27.168   7.129
  286   2HG1  VAL  37          HG12      VAL  37 -17.522  28.549   7.786
  287   3HG1  VAL  37          HG13      VAL  37 -18.015  26.909   8.208
  288   1HG2  VAL  37          HG21      VAL  37 -16.024  29.020  10.774
  289   2HG2  VAL  37          HG22      VAL  37 -17.344  27.874  11.011
  290   3HG2  VAL  37          HG23      VAL  37 -17.510  29.180   9.838
  291    H    LYS  38           HN       LYS  38 -14.233  26.574   7.966
  292    HA   LYS  38           HA       LYS  38 -14.675  24.108   6.436
  293   1HB   LYS  38           HB2      LYS  38 -12.694  26.397   6.322
  294   2HB   LYS  38           HB1      LYS  38 -12.642  25.043   5.194
  295   1HG   LYS  38           HG2      LYS  38 -14.957  25.535   4.494
  296   2HG   LYS  38           HG1      LYS  38 -15.006  26.894   5.619
  297   1HD   LYS  38           HD2      LYS  38 -13.171  27.991   4.432
  298   2HD   LYS  38           HD1      LYS  38 -13.020  26.611   3.345
  299   1HE   LYS  38           HE2      LYS  38 -15.763  27.665   3.451
  300   2HE   LYS  38           HE1      LYS  38 -14.582  28.845   2.848
  301   1HZ   LYS  38           HZ1      LYS  38 -15.212  27.522   1.001
  302   2HZ   LYS  38           HZ2      LYS  38 -15.032  26.076   1.875
  303   3HZ   LYS  38           HZ3      LYS  38 -13.666  26.993   1.453
  304    H    ARG  39           HN       ARG  39 -13.901  22.218   7.251
  305    HA   ARG  39           HA       ARG  39 -11.834  22.020   9.241
  306   1HB   ARG  39           HB2      ARG  39 -13.209  20.064   7.384
  307   2HB   ARG  39           HB1      ARG  39 -12.078  19.556   8.639
  308   1HG   ARG  39           HG2      ARG  39 -13.473  20.468  10.377
  309   2HG   ARG  39           HG1      ARG  39 -14.520  21.259   9.198
  310   1HD   ARG  39           HD2      ARG  39 -15.361  19.141   8.402
  311   2HD   ARG  39           HD1      ARG  39 -14.156  18.246   9.349
  312    HE   ARG  39           HE       ARG  39 -15.701  20.000  11.052
  313   1HH1  ARG  39          HH11      ARG  39 -14.832  16.927  11.073
  314   2HH1  ARG  39          HH12      ARG  39 -16.390  16.221  11.347
  315   1HH2  ARG  39          HH21      ARG  39 -18.130  19.137  10.650
  316   2HH2  ARG  39          HH22      ARG  39 -18.256  17.472  11.108
  317    H    GLY  40           HN       GLY  40 -11.910  21.524   5.730
  318   1HA   GLY  40           HA2      GLY  40  -9.972  22.056   4.336
  319   2HA   GLY  40           HA1      GLY  40  -8.930  21.657   5.703
  320    H    ILE  41           HN       ILE  41  -9.949  19.218   6.507
  321    HA   ILE  41           HA       ILE  41  -8.826  17.397   4.556
  322    HB   ILE  41           HB       ILE  41 -10.509  16.972   7.051
  323   1HG1  ILE  41          HG12      ILE  41  -8.432  18.239   7.461
  324   2HG1  ILE  41          HG11      ILE  41  -8.325  16.625   8.159
  325   1HG2  ILE  41          HG21      ILE  41  -9.556  14.710   7.087
  326   2HG2  ILE  41          HG22      ILE  41  -8.676  15.039   5.594
  327   3HG2  ILE  41          HG23      ILE  41 -10.439  14.972   5.582
  328   1HD1  ILE  41          HD11      ILE  41  -7.376  16.382   5.503
  329   2HD1  ILE  41          HD12      ILE  41  -6.427  16.305   6.987
  330   3HD1  ILE  41          HD13      ILE  41  -6.636  17.845   6.154
  331    H    VAL  42           HN       VAL  42 -12.138  18.197   5.557
  332    HA   VAL  42           HA       VAL  42 -13.498  16.220   3.995
  333    HB   VAL  42           HB       VAL  42 -14.242  18.931   5.072
  334   1HG1  VAL  42          HG11      VAL  42 -15.730  18.304   3.165
  335   2HG1  VAL  42          HG12      VAL  42 -16.585  18.361   4.706
  336   3HG1  VAL  42          HG13      VAL  42 -16.124  16.807   4.010
  337   1HG2  VAL  42          HG21      VAL  42 -15.391  16.411   6.129
  338   2HG2  VAL  42          HG22      VAL  42 -14.845  17.847   6.993
  339   3HG2  VAL  42          HG23      VAL  42 -13.671  16.660   6.426
  340    H    GLU  43           HN       GLU  43 -12.509  19.550   3.272
  341    HA   GLU  43           HA       GLU  43 -13.775  19.866   0.760
  342   1HB   GLU  43           HB2      GLU  43 -11.218  20.952   1.956
  343   2HB   GLU  43           HB1      GLU  43 -11.891  21.551   0.439
  344   1HG   GLU  43           HG2      GLU  43 -13.998  22.116   1.596
  345   2HG   GLU  43           HG1      GLU  43 -13.326  21.522   3.112
  346    H    GLN  44           HN       GLN  44 -10.558  18.512   1.526
  347    HA   GLN  44           HA       GLN  44  -9.639  18.205  -1.160
  348   1HB   GLN  44           HB2      GLN  44  -8.325  18.049   0.985
  349   2HB   GLN  44           HB1      GLN  44  -9.040  16.456   1.244
  350   1HG   GLN  44           HG2      GLN  44  -8.038  15.589  -0.762
  351   2HG   GLN  44           HG1      GLN  44  -7.523  17.198  -1.269
  352   1HE2  GLN  44          HE21      GLN  44  -5.247  16.566  -1.275
  353   2HE2  GLN  44          HE22      GLN  44  -4.399  16.310   0.174
  354    H    CYS  45           HN       CYS  45 -11.508  15.984   0.921
  355    HA   CYS  45           HA       CYS  45 -11.590  13.906  -1.160
  356   1HB   CYS  45           HB2      CYS  45 -13.056  14.204   1.482
  357   2HB   CYS  45           HB1      CYS  45 -12.933  12.724   0.539
  358    H    CYS  46           HN       CYS  46 -13.646  16.517  -0.002
  359    HA   CYS  46           HA       CYS  46 -16.085  15.624  -1.302
  360   1HB   CYS  46           HB2      CYS  46 -15.010  18.080   0.022
  361   2HB   CYS  46           HB1      CYS  46 -16.443  18.261  -0.986
  362    H    THR  47           HN       THR  47 -13.502  17.920  -2.173
  363    HA   THR  47           HA       THR  47 -14.683  18.583  -4.766
  364    HB   THR  47           HB       THR  47 -11.863  19.004  -3.731
  365    HG1  THR  47           HG1      THR  47 -14.129  20.678  -3.429
  366   1HG2  THR  47          HG21      THR  47 -13.383  20.928  -5.441
  367   2HG2  THR  47          HG22      THR  47 -12.720  19.481  -6.201
  368   3HG2  THR  47          HG23      THR  47 -11.649  20.615  -5.377
  369    H    SER  48           HN       SER  48 -12.015  16.537  -3.605
  370    HA   SER  48           HA       SER  48 -11.970  15.178  -6.280
  371   1HB   SER  48           HB2      SER  48  -9.708  16.058  -4.462
  372   2HB   SER  48           HB1      SER  48  -9.479  14.969  -5.828
  373    HG   SER  48           HG       SER  48  -9.129  17.220  -6.314
  374    H    ILE  49           HN       ILE  49 -10.933  12.934  -6.052
  375    HA   ILE  49           HA       ILE  49 -12.149  11.557  -3.744
  376    HB   ILE  49           HB       ILE  49 -10.627  10.592  -6.192
  377   1HG1  ILE  49          HG12      ILE  49 -13.614  10.600  -5.667
  378   2HG1  ILE  49          HG11      ILE  49 -12.791  11.872  -6.571
  379   1HG2  ILE  49          HG21      ILE  49 -10.568   8.838  -4.573
  380   2HG2  ILE  49          HG22      ILE  49 -11.916   8.443  -5.637
  381   3HG2  ILE  49          HG23      ILE  49 -12.222   9.160  -4.056
  382   1HD1  ILE  49          HD11      ILE  49 -11.961  10.195  -8.181
  383   2HD1  ILE  49          HD12      ILE  49 -13.722  10.170  -8.098
  384   3HD1  ILE  49          HD13      ILE  49 -12.783   8.921  -7.281
  385    H    CYS  50           HN       CYS  50 -10.982  11.280  -1.901
  386    HA   CYS  50           HA       CYS  50  -8.087  11.630  -1.786
  387   1HB   CYS  50           HB2      CYS  50 -10.271  10.790   0.133
  388   2HB   CYS  50           HB1      CYS  50  -8.580  10.865   0.627
  389    H    SER  51           HN       SER  51  -6.524   9.993  -1.605
  390    HA   SER  51           HA       SER  51  -7.279   7.321  -2.541
  391   1HB   SER  51           HB2      SER  51  -4.886   7.020  -2.643
  392   2HB   SER  51           HB1      SER  51  -5.225   8.665  -3.170
  393    HG   SER  51           HG       SER  51  -4.700   9.369  -1.079
  394    H    LEU  52           HN       LEU  52  -7.205   5.421  -1.332
  395    HA   LEU  52           HA       LEU  52  -7.810   5.465   1.441
  396   1HB   LEU  52           HB2      LEU  52  -8.373   3.652  -0.140
  397   2HB   LEU  52           HB1      LEU  52  -6.661   3.265  -0.309
  398    HG   LEU  52           HG       LEU  52  -6.603   2.872   2.194
  399   1HD1  LEU  52          HD11      LEU  52  -9.104   2.248   2.929
  400   2HD1  LEU  52          HD12      LEU  52  -9.485   3.528   1.777
  401   3HD1  LEU  52          HD13      LEU  52  -8.444   3.867   3.160
  402   1HD2  LEU  52          HD21      LEU  52  -6.749   1.016   0.563
  403   2HD2  LEU  52          HD22      LEU  52  -8.508   1.155   0.566
  404   3HD2  LEU  52          HD23      LEU  52  -7.660   0.646   2.027
  405    H    TYR  53           HN       TYR  53  -4.751   5.181  -0.278
  406    HA   TYR  53           HA       TYR  53  -3.058   4.232   1.785
  407   1HB   TYR  53           HB2      TYR  53  -2.492   4.456  -0.603
  408   2HB   TYR  53           HB1      TYR  53  -2.537   6.203  -0.434
  409    HD1  TYR  53           HD1      TYR  53  -0.773   7.418   0.761
  410    HD2  TYR  53           HD2      TYR  53  -0.676   3.142   0.363
  411    HE1  TYR  53           HE1      TYR  53   1.604   7.405   1.470
  412    HE2  TYR  53           HE2      TYR  53   1.699   3.128   1.075
  413    HH   TYR  53           HH       TYR  53   3.671   5.337   0.925
  414    H    GLN  54           HN       GLN  54  -4.075   7.570   1.029
  415    HA   GLN  54           HA       GLN  54  -2.394   8.852   2.997
  416   1HB   GLN  54           HB2      GLN  54  -4.962   9.604   1.574
  417   2HB   GLN  54           HB1      GLN  54  -4.073  10.726   2.603
  418   1HG   GLN  54           HG2      GLN  54  -2.070  10.441   1.195
  419   2HG   GLN  54           HG1      GLN  54  -2.954   9.318   0.162
  420   1HE2  GLN  54          HE21      GLN  54  -1.899  12.375   0.033
  421   2HE2  GLN  54          HE22      GLN  54  -3.180  13.129  -0.786
  422    H    LEU  55           HN       LEU  55  -5.794   7.734   3.069
  423    HA   LEU  55           HA       LEU  55  -6.443   8.709   5.680
  424   1HB   LEU  55           HB2      LEU  55  -7.414   6.374   4.008
  425   2HB   LEU  55           HB1      LEU  55  -8.191   6.865   5.513
  426    HG   LEU  55           HG       LEU  55  -7.738   8.738   3.177
  427   1HD1  LEU  55          HD11      LEU  55  -9.272   7.124   2.354
  428   2HD1  LEU  55          HD12      LEU  55 -10.285   8.442   2.942
  429   3HD1  LEU  55          HD13      LEU  55 -10.084   6.984   3.914
  430   1HD2  LEU  55          HD21      LEU  55  -9.835   9.705   4.632
  431   2HD2  LEU  55          HD22      LEU  55  -8.162  10.198   4.886
  432   3HD2  LEU  55          HD23      LEU  55  -8.878   8.951   5.907
  433    H    GLU  56           HN       GLU  56  -5.092   5.604   4.593
  434    HA   GLU  56           HA       GLU  56  -5.067   4.244   7.095
  435   1HB   GLU  56           HB2      GLU  56  -3.304   4.128   4.632
  436   2HB   GLU  56           HB1      GLU  56  -3.193   2.957   5.947
  437   1HG   GLU  56           HG2      GLU  56  -5.557   2.360   5.640
  438   2HG   GLU  56           HG1      GLU  56  -5.701   3.553   4.349
  439    H    ASN  57           HN       ASN  57  -2.653   6.405   5.602
  440    HA   ASN  57           HA       ASN  57  -0.627   6.083   7.616
  441   1HB   ASN  57           HB2      ASN  57  -0.314   7.026   5.334
  442   2HB   ASN  57           HB1      ASN  57  -1.247   8.444   5.811
  443   1HD2  ASN  57          HD21      ASN  57   0.879   9.618   5.286
  444   2HD2  ASN  57          HD22      ASN  57   2.060   9.699   6.502
  445    H    TYR  58           HN       TYR  58  -3.175   8.581   7.219
  446    HA   TYR  58           HA       TYR  58  -2.526  10.126   9.524
  447   1HB   TYR  58           HB2      TYR  58  -5.207   9.572   8.218
  448   2HB   TYR  58           HB1      TYR  58  -4.858  10.914   9.303
  449    HD1  TYR  58           HD1      TYR  58  -5.642  10.616   6.148
  450    HD2  TYR  58           HD2      TYR  58  -2.122  11.704   8.361
  451    HE1  TYR  58           HE1      TYR  58  -4.843  11.958   4.223
  452    HE2  TYR  58           HE2      TYR  58  -1.324  13.042   6.432
  453    HH   TYR  58           HH       TYR  58  -2.334  12.725   3.432
  454    H    CYS  59           HN       CYS  59  -4.483   7.194   9.162
  455    HA   CYS  59           HA       CYS  59  -5.299   7.246  12.003
  456   1HB   CYS  59           HB2      CYS  59  -6.795   6.539  10.124
  457   2HB   CYS  59           HB1      CYS  59  -5.704   5.192   9.799
  458    H    ASN  60           HN       ASN  60  -2.694   7.223  12.214
  459    HA   ASN  60           HA       ASN  60  -1.298   4.721  11.914
  460   1HB   ASN  60           HB2      ASN  60  -0.947   7.195  13.622
  461   2HB   ASN  60           HB1      ASN  60   0.207   5.862  13.672
  462   1HD2  ASN  60          HD21      ASN  60   0.611   8.653  12.607
  463   2HD2  ASN  60          HD22      ASN  60   1.089   8.451  10.991
  Start of MODEL    4
    1   1H    PHE   1           HT1      PHE   1 -22.006  -4.209  -5.903
    2   2H    PHE   1           HT2      PHE   1 -20.984  -5.542  -6.149
    3   3H    PHE   1           HT3      PHE   1 -21.110  -4.334  -7.337
    4    HA   PHE   1           HA       PHE   1 -19.754  -4.201  -4.703
    5   1HB   PHE   1           HB2      PHE   1 -18.581  -5.011  -6.736
    6   2HB   PHE   1           HB1      PHE   1 -19.020  -3.524  -7.574
    7    HD1  PHE   1           HD1      PHE   1 -16.904  -5.011  -4.953
    8    HD2  PHE   1           HD2      PHE   1 -17.967  -1.390  -7.006
    9    HE1  PHE   1           HE1      PHE   1 -14.897  -3.893  -4.020
   10    HE2  PHE   1           HE2      PHE   1 -15.960  -0.273  -6.072
   11    HZ   PHE   1           HZ       PHE   1 -14.425  -1.524  -4.579
   12    H    VAL   2           HN       VAL   2 -19.264  -2.087  -3.884
   13    HA   VAL   2           HA       VAL   2 -20.699   0.167  -5.164
   14    HB   VAL   2           HB       VAL   2 -21.302   0.851  -2.853
   15   1HG1  VAL   2          HG11      VAL   2 -22.129  -2.022  -3.100
   16   2HG1  VAL   2          HG12      VAL   2 -22.623  -0.870  -4.342
   17   3HG1  VAL   2          HG13      VAL   2 -23.103  -0.618  -2.664
   18   1HG2  VAL   2          HG21      VAL   2 -20.478  -1.835  -1.826
   19   2HG2  VAL   2          HG22      VAL   2 -20.650  -0.311  -0.956
   20   3HG2  VAL   2          HG23      VAL   2 -19.236  -0.593  -1.970
   21    H    ASN   3           HN       ASN   3 -19.785   2.280  -4.598
   22    HA   ASN   3           HA       ASN   3 -17.201   2.444  -3.232
   23   1HB   ASN   3           HB2      ASN   3 -16.797   1.460  -5.561
   24   2HB   ASN   3           HB1      ASN   3 -17.326   3.013  -6.207
   25   1HD2  ASN   3          HD21      ASN   3 -14.597   1.883  -6.419
   26   2HD2  ASN   3          HD22      ASN   3 -13.564   2.974  -5.629
   27    H    GLN   4           HN       GLN   4 -18.943   3.885  -2.209
   28    HA   GLN   4           HA       GLN   4 -19.733   6.305  -3.647
   29   1HB   GLN   4           HB2      GLN   4 -19.834   5.608  -0.698
   30   2HB   GLN   4           HB1      GLN   4 -20.773   6.857  -1.503
   31   1HG   GLN   4           HG2      GLN   4 -20.944   3.911  -2.218
   32   2HG   GLN   4           HG1      GLN   4 -22.054   4.718  -1.107
   33   1HE2  GLN   4          HE21      GLN   4 -22.558   7.148  -2.354
   34   2HE2  GLN   4          HE22      GLN   4 -23.255   6.894  -3.881
   35    H    HIS   5           HN       HIS   5 -19.084   8.463  -2.900
   36    HA   HIS   5           HA       HIS   5 -16.207   8.702  -2.532
   37   1HB   HIS   5           HB2      HIS   5 -18.463  10.736  -2.398
   38   2HB   HIS   5           HB1      HIS   5 -16.755  11.117  -2.588
   39    HD1  HIS   5           HD1      HIS   5 -15.610  10.155  -4.855
   40    HD2  HIS   5           HD2      HIS   5 -19.778  10.177  -4.777
   41    HE1  HIS   5           HE1      HIS   5 -16.374   9.904  -7.258
   42    H    LEU   6           HN       LEU   6 -15.181   8.661  -0.544
   43    HA   LEU   6           HA       LEU   6 -16.609   8.504   1.938
   44   1HB   LEU   6           HB2      LEU   6 -13.721   9.049   1.202
   45   2HB   LEU   6           HB1      LEU   6 -14.258   8.821   2.866
   46    HG   LEU   6           HG       LEU   6 -14.690   6.823   0.631
   47   1HD1  LEU   6          HD11      LEU   6 -12.284   7.364   1.709
   48   2HD1  LEU   6          HD12      LEU   6 -12.770   5.730   1.258
   49   3HD1  LEU   6          HD13      LEU   6 -12.895   6.256   2.937
   50   1HD2  LEU   6          HD21      LEU   6 -16.146   5.858   2.058
   51   2HD2  LEU   6          HD22      LEU   6 -15.857   7.126   3.247
   52   3HD2  LEU   6          HD23      LEU   6 -14.852   5.677   3.241
   53    H    CYS   7           HN       CYS   7 -17.951  10.332   2.128
   54    HA   CYS   7           HA       CYS   7 -16.584  12.845   2.934
   55   1HB   CYS   7           HB2      CYS   7 -17.843  12.349   0.387
   56   2HB   CYS   7           HB1      CYS   7 -18.827  13.513   1.266
   57    H    GLY   8           HN       GLY   8 -18.488  14.433   3.658
   58   1HA   GLY   8           HA2      GLY   8 -20.176  14.803   5.246
   59   2HA   GLY   8           HA1      GLY   8 -21.060  13.560   4.354
   60    H    SER   9           HN       SER   9 -21.861  12.206   5.961
   61    HA   SER   9           HA       SER   9 -20.427  11.660   8.439
   62   1HB   SER   9           HB2      SER   9 -22.863  10.487   7.074
   63   2HB   SER   9           HB1      SER   9 -22.335  10.000   8.682
   64    HG   SER   9           HG       SER   9 -23.790  12.103   7.994
   65    H    HIS  10           HN       HIS  10 -20.595  10.140   5.290
   66    HA   HIS  10           HA       HIS  10 -19.765   7.488   5.947
   67   1HB   HIS  10           HB2      HIS  10 -19.428   9.250   3.506
   68   2HB   HIS  10           HB1      HIS  10 -19.020   7.535   3.516
   69    HD1  HIS  10           HD1      HIS  10 -20.933   5.874   3.338
   70    HD2  HIS  10           HD2      HIS  10 -22.264   9.773   3.972
   71    HE1  HIS  10           HE1      HIS  10 -23.451   5.825   3.067
   72    H    LEU  11           HN       LEU  11 -17.865  10.411   5.217
   73    HA   LEU  11           HA       LEU  11 -15.280   9.227   5.066
   74   1HB   LEU  11           HB2      LEU  11 -15.871  11.533   4.411
   75   2HB   LEU  11           HB1      LEU  11 -16.171  11.943   6.099
   76    HG   LEU  11           HG       LEU  11 -13.771  11.292   6.583
   77   1HD1  LEU  11          HD11      LEU  11 -12.229  11.153   4.690
   78   2HD1  LEU  11          HD12      LEU  11 -13.562  11.379   3.558
   79   3HD1  LEU  11          HD13      LEU  11 -13.473   9.912   4.533
   80   1HD2  LEU  11          HD21      LEU  11 -13.314  13.432   4.674
   81   2HD2  LEU  11          HD22      LEU  11 -13.363  13.508   6.434
   82   3HD2  LEU  11          HD23      LEU  11 -14.850  13.676   5.504
   83    H    VAL  12           HN       VAL  12 -17.040  10.512   7.915
   84    HA   VAL  12           HA       VAL  12 -14.942  10.095   9.829
   85    HB   VAL  12           HB       VAL  12 -17.970  10.190  10.033
   86   1HG1  VAL  12          HG11      VAL  12 -17.331   9.199  12.078
   87   2HG1  VAL  12          HG12      VAL  12 -17.372  10.922  12.453
   88   3HG1  VAL  12          HG13      VAL  12 -15.829  10.120  12.158
   89   1HG2  VAL  12          HG21      VAL  12 -17.268  12.522  10.981
   90   2HG2  VAL  12          HG22      VAL  12 -17.241  12.274   9.235
   91   3HG2  VAL  12          HG23      VAL  12 -15.740  12.209  10.160
   92    H    GLU  13           HN       GLU  13 -17.736   8.060   8.929
   93    HA   GLU  13           HA       GLU  13 -17.214   5.883  10.680
   94   1HB   GLU  13           HB2      GLU  13 -19.307   6.276   9.403
   95   2HB   GLU  13           HB1      GLU  13 -18.449   5.912   7.907
   96   1HG   GLU  13           HG2      GLU  13 -19.681   3.931   8.679
   97   2HG   GLU  13           HG1      GLU  13 -17.945   3.638   8.758
   98    H    ALA  14           HN       ALA  14 -16.069   6.575   7.400
   99    HA   ALA  14           HA       ALA  14 -14.701   4.144   6.870
  100   1HB   ALA  14           HB1      ALA  14 -13.931   6.955   6.035
  101   2HB   ALA  14           HB2      ALA  14 -15.246   6.042   5.296
  102   3HB   ALA  14           HB3      ALA  14 -13.585   5.462   5.161
  103    H    LEU  15           HN       LEU  15 -13.629   7.114   8.533
  104    HA   LEU  15           HA       LEU  15 -10.877   6.443   8.871
  105   1HB   LEU  15           HB2      LEU  15 -12.844   8.062  10.515
  106   2HB   LEU  15           HB1      LEU  15 -11.113   8.031  10.848
  107    HG   LEU  15           HG       LEU  15 -12.340   8.829   8.192
  108   1HD1  LEU  15          HD11      LEU  15 -12.803  10.768   9.277
  109   2HD1  LEU  15          HD12      LEU  15 -11.062  11.043   9.255
  110   3HD1  LEU  15          HD13      LEU  15 -11.822  10.324  10.674
  111   1HD2  LEU  15          HD21      LEU  15  -9.875   9.824   8.096
  112   2HD2  LEU  15          HD22      LEU  15 -10.184   8.145   7.654
  113   3HD2  LEU  15          HD23      LEU  15  -9.550   8.532   9.253
  114    H    TYR  16           HN       TYR  16 -13.727   5.696  10.887
  115    HA   TYR  16           HA       TYR  16 -12.371   4.480  13.088
  116   1HB   TYR  16           HB2      TYR  16 -14.787   5.138  12.934
  117   2HB   TYR  16           HB1      TYR  16 -15.056   3.770  11.854
  118    HD1  TYR  16           HD1      TYR  16 -14.881   1.451  12.681
  119    HD2  TYR  16           HD2      TYR  16 -14.397   4.815  15.310
  120    HE1  TYR  16           HE1      TYR  16 -15.161  -0.040  14.643
  121    HE2  TYR  16           HE2      TYR  16 -14.675   3.322  17.271
  122    HH   TYR  16           HH       TYR  16 -15.902   0.965  17.626
  123    H    LEU  17           HN       LEU  17 -13.762   2.985  10.155
  124    HA   LEU  17           HA       LEU  17 -12.824   0.332  10.719
  125   1HB   LEU  17           HB2      LEU  17 -13.770   1.762   8.254
  126   2HB   LEU  17           HB1      LEU  17 -13.422   0.039   8.271
  127    HG   LEU  17           HG       LEU  17 -15.351   1.374  10.187
  128   1HD1  LEU  17          HD11      LEU  17 -17.107   0.277   8.731
  129   2HD1  LEU  17          HD12      LEU  17 -15.841  -0.011   7.538
  130   3HD1  LEU  17          HD13      LEU  17 -16.278   1.640   7.979
  131   1HD2  LEU  17          HD21      LEU  17 -16.140  -1.051  10.356
  132   2HD2  LEU  17          HD22      LEU  17 -14.558  -0.712  11.058
  133   3HD2  LEU  17          HD23      LEU  17 -14.674  -1.492   9.481
  134    H    VAL  18           HN       VAL  18 -11.508   3.029   8.825
  135    HA   VAL  18           HA       VAL  18  -9.348   1.565   7.609
  136    HB   VAL  18           HB       VAL  18  -9.930   4.464   8.147
  137   1HG1  VAL  18          HG11      VAL  18  -7.778   4.948   7.657
  138   2HG1  VAL  18          HG12      VAL  18  -8.091   4.341   6.032
  139   3HG1  VAL  18          HG13      VAL  18  -7.429   3.266   7.263
  140   1HG2  VAL  18          HG21      VAL  18  -9.787   3.375   5.403
  141   2HG2  VAL  18          HG22      VAL  18 -10.984   4.451   6.123
  142   3HG2  VAL  18          HG23      VAL  18 -11.083   2.712   6.399
  143    H    CYS  19           HN       CYS  19  -9.393   3.777  10.425
  144    HA   CYS  19           HA       CYS  19  -6.619   3.323  11.095
  145   1HB   CYS  19           HB2      CYS  19  -9.004   4.437  12.543
  146   2HB   CYS  19           HB1      CYS  19  -7.399   4.410  13.267
  147    H    GLY  20           HN       GLY  20  -9.680   1.922  12.225
  148   1HA   GLY  20           HA2      GLY  20  -9.904  -0.365  12.905
  149   2HA   GLY  20           HA1      GLY  20  -8.178  -0.401  13.229
  150    H    GLU  21           HN       GLU  21  -7.841   1.751  14.945
  151    HA   GLU  21           HA       GLU  21  -9.681   1.128  17.203
  152   1HB   GLU  21           HB2      GLU  21  -6.666   1.430  17.210
  153   2HB   GLU  21           HB1      GLU  21  -7.656   1.151  18.642
  154   1HG   GLU  21           HG2      GLU  21  -7.056  -1.031  18.140
  155   2HG   GLU  21           HG1      GLU  21  -8.550  -0.901  17.214
  156    H    ARG  22           HN       ARG  22 -10.084   2.851  18.646
  157    HA   ARG  22           HA       ARG  22  -9.910   5.527  17.569
  158   1HB   ARG  22           HB2      ARG  22 -11.784   4.678  18.919
  159   2HB   ARG  22           HB1      ARG  22 -10.701   4.443  20.290
  160   1HG   ARG  22           HG2      ARG  22 -10.279   6.836  20.429
  161   2HG   ARG  22           HG1      ARG  22 -11.229   7.122  18.970
  162   1HD   ARG  22           HD2      ARG  22 -12.455   5.752  21.372
  163   2HD   ARG  22           HD1      ARG  22 -12.423   7.522  21.235
  164    HE   ARG  22           HE       ARG  22 -14.018   5.714  19.577
  165   1HH1  ARG  22          HH11      ARG  22 -15.107   8.315  20.355
  166   2HH1  ARG  22          HH12      ARG  22 -14.896   9.283  18.935
  167   1HH2  ARG  22          HH21      ARG  22 -12.574   7.147  17.499
  168   2HH2  ARG  22          HH22      ARG  22 -13.464   8.621  17.317
  169    H    GLY  23           HN       GLY  23  -7.615   3.658  19.224
  170   1HA   GLY  23           HA2      GLY  23  -6.443   5.283  21.139
  171   2HA   GLY  23           HA1      GLY  23  -5.520   4.205  20.100
  172    H    PHE  24           HN       PHE  24  -6.437   5.881  17.662
  173    HA   PHE  24           HA       PHE  24  -4.145   7.668  17.708
  174   1HB   PHE  24           HB2      PHE  24  -4.914   8.247  15.434
  175   2HB   PHE  24           HB1      PHE  24  -4.917   6.505  15.682
  176    HD1  PHE  24           HD1      PHE  24  -7.154   9.495  15.864
  177    HD2  PHE  24           HD2      PHE  24  -6.855   5.267  15.240
  178    HE1  PHE  24           HE1      PHE  24  -9.547   9.430  15.209
  179    HE2  PHE  24           HE2      PHE  24  -9.249   5.190  14.597
  180    HZ   PHE  24           HZ       PHE  24 -10.596   7.272  14.581
  181    H    PHE  25           HN       PHE  25  -4.094   9.893  17.942
  182    HA   PHE  25           HA       PHE  25  -6.275  11.146  19.393
  183   1HB   PHE  25           HB2      PHE  25  -3.602  12.087  18.326
  184   2HB   PHE  25           HB1      PHE  25  -4.645  13.075  19.349
  185    HD1  PHE  25           HD1      PHE  25  -5.480  11.904  21.573
  186    HD2  PHE  25           HD2      PHE  25  -2.011  10.712  19.337
  187    HE1  PHE  25           HE1      PHE  25  -4.565  10.784  23.588
  188    HE2  PHE  25           HE2      PHE  25  -1.097   9.592  21.351
  189    HZ   PHE  25           HZ       PHE  25  -2.374   9.627  23.477
  190    H    TYR  26           HN       TYR  26  -4.961  11.337  16.118
  191    HA   TYR  26           HA       TYR  26  -5.721  12.437  14.182
  192   1HB   TYR  26           HB2      TYR  26  -7.840  11.172  15.239
  193   2HB   TYR  26           HB1      TYR  26  -8.415  12.827  15.407
  194    HD1  TYR  26           HD1      TYR  26  -7.610  14.304  13.185
  195    HD2  TYR  26           HD2      TYR  26  -8.618  10.130  13.302
  196    HE1  TYR  26           HE1      TYR  26  -8.157  14.371  10.769
  197    HE2  TYR  26           HE2      TYR  26  -9.165  10.197  10.883
  198    HH   TYR  26           HH       TYR  26  -8.379  12.915   8.892
  199    H    THR  27           HN       THR  27  -4.303  14.216  15.248
  200    HA   THR  27           HA       THR  27  -5.892  16.701  15.275
  201    HB   THR  27           HB       THR  27  -5.778  16.080  17.619
  202    HG1  THR  27           HG1      THR  27  -4.364  17.818  18.357
  203   1HG2  THR  27          HG21      THR  27  -4.102  14.745  18.310
  204   2HG2  THR  27          HG22      THR  27  -3.027  16.141  18.238
  205   3HG2  THR  27          HG23      THR  27  -3.175  15.070  16.845
  206    HA   PRO  28           HA       PRO  28  -1.784  16.822  13.040
  207   1HB   PRO  28           HB2      PRO  28  -2.782  17.755  10.660
  208   2HB   PRO  28           HB1      PRO  28  -2.629  16.027  11.037
  209   1HG   PRO  28           HG2      PRO  28  -5.032  17.789  11.180
  210   2HG   PRO  28           HG1      PRO  28  -4.887  16.124  10.591
  211   1HD   PRO  28           HD2      PRO  28  -5.881  16.711  13.033
  212   2HD   PRO  28           HD1      PRO  28  -4.963  15.223  12.708
  213    H    LYS  29           HN       LYS  29  -0.713  18.835  12.349
  214    HA   LYS  29           HA       LYS  29  -1.474  21.121  13.884
  215   1HB   LYS  29           HB2      LYS  29   0.827  20.418  13.126
  216   2HB   LYS  29           HB1      LYS  29   0.400  20.985  11.510
  217   1HG   LYS  29           HG2      LYS  29  -0.090  23.235  12.465
  218   2HG   LYS  29           HG1      LYS  29   0.454  22.656  14.040
  219   1HD   LYS  29           HD2      LYS  29   2.197  22.507  11.575
  220   2HD   LYS  29           HD1      LYS  29   2.193  23.909  12.645
  221   1HE   LYS  29           HE2      LYS  29   2.561  21.155  13.813
  222   2HE   LYS  29           HE1      LYS  29   3.941  22.002  13.090
  223   1HZ   LYS  29           HZ1      LYS  29   3.075  23.996  14.465
  224   2HZ   LYS  29           HZ2      LYS  29   3.953  22.778  15.259
  225   3HZ   LYS  29           HZ3      LYS  29   2.259  22.819  15.376
  226    H    THR  30           HN       THR  30  -1.859  20.352  10.425
  227    HA   THR  30           HA       THR  30  -3.057  21.468   8.710
  228    HB   THR  30           HB       THR  30  -4.690  22.395  11.092
  229    HG1  THR  30           HG1      THR  30  -4.882  19.951   9.679
  230   1HG2  THR  30          HG21      THR  30  -6.573  22.144   9.485
  231   2HG2  THR  30          HG22      THR  30  -5.410  21.741   8.222
  232   3HG2  THR  30          HG23      THR  30  -5.398  23.345   8.953
  233    H    ARG  31           HN       ARG  31  -0.808  22.892   9.421
  234    HA   ARG  31           HA       ARG  31   0.177  25.035   9.514
  235   1HB   ARG  31           HB2      ARG  31  -2.343  25.376   7.865
  236   2HB   ARG  31           HB1      ARG  31  -1.077  26.602   7.948
  237   1HG   ARG  31           HG2      ARG  31   0.573  24.961   7.130
  238   2HG   ARG  31           HG1      ARG  31  -0.690  23.733   7.043
  239   1HD   ARG  31           HD2      ARG  31  -1.947  25.395   5.504
  240   2HD   ARG  31           HD1      ARG  31  -0.384  26.225   5.359
  241    HE   ARG  31           HE       ARG  31  -0.904  23.405   4.531
  242   1HH1  ARG  31          HH21      ARG  31   1.895  23.761   5.454
  243   2HH1  ARG  31          HH22      ARG  31   2.710  24.250   4.007
  244   1HH2  ARG  31          HH11      ARG  31  -0.207  25.085   2.330
  245   2HH2  ARG  31          HH12      ARG  31   1.520  24.996   2.236
  246    H    ARG  32           HN       ARG  32  -3.035  26.511   9.403
  247    HA   ARG  32           HA       ARG  32  -2.513  27.944  11.885
  248   1HB   ARG  32           HB2      ARG  32  -4.492  29.192  11.224
  249   2HB   ARG  32           HB1      ARG  32  -3.496  28.927   9.795
  250   1HG   ARG  32           HG2      ARG  32  -4.918  26.911   9.271
  251   2HG   ARG  32           HG1      ARG  32  -5.959  27.380  10.607
  252   1HD   ARG  32           HD2      ARG  32  -6.266  29.626   9.478
  253   2HD   ARG  32           HD1      ARG  32  -5.408  28.956   8.076
  254    HE   ARG  32           HE       ARG  32  -7.816  27.573   9.185
  255   1HH1  ARG  32          HH11      ARG  32  -7.062  29.849   6.872
  256   2HH1  ARG  32          HH12      ARG  32  -7.677  28.956   5.522
  257   1HH2  ARG  32          HH21      ARG  32  -8.164  26.038   7.332
  258   2HH2  ARG  32          HH22      ARG  32  -8.296  26.798   5.781
  259    H    TYR  33           HN       TYR  33  -3.945  27.835  13.768
  260    HA   TYR  33           HA       TYR  33  -4.876  25.135  14.351
  261   1HB   TYR  33           HB2      TYR  33  -5.014  27.751  15.877
  262   2HB   TYR  33           HB1      TYR  33  -5.411  26.178  16.552
  263    HD1  TYR  33           HD1      TYR  33  -2.757  28.469  15.641
  264    HD2  TYR  33           HD2      TYR  33  -3.630  24.387  16.658
  265    HE1  TYR  33           HE1      TYR  33  -0.360  28.081  16.143
  266    HE2  TYR  33           HE2      TYR  33  -1.231  24.000  17.157
  267    HH   TYR  33           HH       TYR  33   0.940  26.379  17.689
  268    HA   PRO  34           HA       PRO  34  -9.185  27.156  14.302
  269   1HB   PRO  34           HB2      PRO  34  -9.531  29.613  13.167
  270   2HB   PRO  34           HB1      PRO  34  -9.105  29.396  14.875
  271   1HG   PRO  34           HG2      PRO  34  -7.421  30.247  12.604
  272   2HG   PRO  34           HG1      PRO  34  -7.304  30.660  14.319
  273   1HD   PRO  34           HD2      PRO  34  -5.723  28.800  12.955
  274   2HD   PRO  34           HD1      PRO  34  -5.858  28.981  14.713
  275    H    GLY  35           HN       GLY  35 -10.863  27.136  12.562
  276   1HA   GLY  35           HA2      GLY  35 -11.375  27.389  10.160
  277   2HA   GLY  35           HA1      GLY  35  -9.714  26.900   9.822
  278    H    ASP  36           HN       ASP  36 -12.619  25.772   9.410
  279    HA   ASP  36           HA       ASP  36 -11.788  22.945   9.661
  280   1HB   ASP  36           HB2      ASP  36 -13.769  22.376  11.011
  281   2HB   ASP  36           HB1      ASP  36 -12.778  23.568  11.845
  282    H    VAL  37           HN       VAL  37 -13.812  21.552   8.896
  283    HA   VAL  37           HA       VAL  37 -14.926  20.884   6.932
  284    HB   VAL  37           HB       VAL  37 -16.540  22.084   8.444
  285   1HG1  VAL  37          HG11      VAL  37 -15.848  24.365   8.329
  286   2HG1  VAL  37          HG12      VAL  37 -17.406  24.294   7.509
  287   3HG1  VAL  37          HG13      VAL  37 -15.920  24.376   6.567
  288   1HG2  VAL  37          HG21      VAL  37 -18.045  22.663   6.211
  289   2HG2  VAL  37          HG22      VAL  37 -17.838  21.054   6.900
  290   3HG2  VAL  37          HG23      VAL  37 -16.820  21.575   5.558
  291    H    LYS  38           HN       LYS  38 -12.495  22.584   6.388
  292    HA   LYS  38           HA       LYS  38 -13.029  23.059   3.539
  293   1HB   LYS  38           HB2      LYS  38 -13.837  25.102   4.848
  294   2HB   LYS  38           HB1      LYS  38 -12.155  25.369   5.303
  295   1HG   LYS  38           HG2      LYS  38 -11.571  25.411   2.850
  296   2HG   LYS  38           HG1      LYS  38 -13.294  25.336   2.494
  297   1HD   LYS  38           HD2      LYS  38 -13.706  27.457   3.422
  298   2HD   LYS  38           HD1      LYS  38 -12.197  27.451   4.336
  299   1HE   LYS  38           HE2      LYS  38 -10.969  27.467   2.102
  300   2HE   LYS  38           HE1      LYS  38 -12.539  27.798   1.342
  301   1HZ   LYS  38           HZ1      LYS  38 -11.457  29.871   1.899
  302   2HZ   LYS  38           HZ2      LYS  38 -11.267  29.381   3.514
  303   3HZ   LYS  38           HZ3      LYS  38 -12.820  29.664   2.887
  304    H    ARG  39           HN       ARG  39 -11.208  21.464   5.334
  305    HA   ARG  39           HA       ARG  39  -8.567  22.618   5.243
  306   1HB   ARG  39           HB2      ARG  39  -9.391  20.867   6.824
  307   2HB   ARG  39           HB1      ARG  39  -9.428  19.727   5.477
  308   1HG   ARG  39           HG2      ARG  39  -7.013  20.071   5.112
  309   2HG   ARG  39           HG1      ARG  39  -6.971  21.209   6.460
  310   1HD   ARG  39           HD2      ARG  39  -7.889  18.328   6.744
  311   2HD   ARG  39           HD1      ARG  39  -6.239  18.878   7.097
  312    HE   ARG  39           HE       ARG  39  -7.820  20.669   8.492
  313   1HH1  ARG  39          HH11      ARG  39  -9.225  17.740   8.247
  314   2HH1  ARG  39          HH12      ARG  39  -9.014  17.252   9.895
  315   1HH2  ARG  39          HH21      ARG  39  -6.828  19.835  10.656
  316   2HH2  ARG  39          HH22      ARG  39  -7.654  18.438  11.260
  317    H    GLY  40           HN       GLY  40 -10.284  20.284   3.193
  318   1HA   GLY  40           HA2      GLY  40  -9.591  20.700   0.704
  319   2HA   GLY  40           HA1      GLY  40  -7.981  20.296   1.303
  320    H    ILE  41           HN       ILE  41  -8.817  18.247   3.163
  321    HA   ILE  41           HA       ILE  41  -8.843  15.947   1.460
  322    HB   ILE  41           HB       ILE  41  -9.683  16.283   4.365
  323   1HG1  ILE  41          HG12      ILE  41  -7.002  15.456   3.202
  324   2HG1  ILE  41          HG11      ILE  41  -7.361  17.075   3.801
  325   1HG2  ILE  41          HG21      ILE  41  -8.871  13.837   4.435
  326   2HG2  ILE  41          HG22      ILE  41  -9.013  13.867   2.677
  327   3HG2  ILE  41          HG23      ILE  41 -10.437  14.137   3.682
  328   1HD1  ILE  41          HD11      ILE  41  -7.545  16.357   6.026
  329   2HD1  ILE  41          HD12      ILE  41  -6.239  15.340   5.419
  330   3HD1  ILE  41          HD13      ILE  41  -7.870  14.687   5.561
  331    H    VAL  42           HN       VAL  42 -11.444  17.540   3.295
  332    HA   VAL  42           HA       VAL  42 -13.547  15.741   2.571
  333    HB   VAL  42           HB       VAL  42 -14.987  17.587   3.374
  334   1HG1  VAL  42          HG11      VAL  42 -12.467  17.458   5.041
  335   2HG1  VAL  42          HG12      VAL  42 -13.618  16.126   4.939
  336   3HG1  VAL  42          HG13      VAL  42 -14.124  17.679   5.605
  337   1HG2  VAL  42          HG21      VAL  42 -14.098  19.578   2.508
  338   2HG2  VAL  42          HG22      VAL  42 -12.451  19.165   2.976
  339   3HG2  VAL  42          HG23      VAL  42 -13.614  19.662   4.201
  340    H    GLU  43           HN       GLU  43 -12.417  18.760   1.048
  341    HA   GLU  43           HA       GLU  43 -14.505  18.902  -0.925
  342   1HB   GLU  43           HB2      GLU  43 -11.705  20.027  -0.714
  343   2HB   GLU  43           HB1      GLU  43 -12.817  20.469  -2.010
  344   1HG   GLU  43           HG2      GLU  43 -14.445  21.291  -0.384
  345   2HG   GLU  43           HG1      GLU  43 -13.414  20.771   0.948
  346    H    GLN  44           HN       GLN  44 -11.233  17.499  -0.996
  347    HA   GLN  44           HA       GLN  44 -11.198  16.848  -3.796
  348   1HB   GLN  44           HB2      GLN  44  -9.741  15.808  -1.359
  349   2HB   GLN  44           HB1      GLN  44  -9.333  15.311  -3.002
  350   1HG   GLN  44           HG2      GLN  44  -8.886  17.628  -3.631
  351   2HG   GLN  44           HG1      GLN  44  -9.388  18.184  -2.033
  352   1HE2  GLN  44          HE21      GLN  44  -6.647  18.183  -3.504
  353   2HE2  GLN  44          HE22      GLN  44  -5.587  17.512  -2.360
  354    H    CYS  45           HN       CYS  45 -12.170  14.912  -0.941
  355    HA   CYS  45           HA       CYS  45 -12.594  12.483  -2.486
  356   1HB   CYS  45           HB2      CYS  45 -13.569  13.359   0.252
  357   2HB   CYS  45           HB1      CYS  45 -13.591  11.704  -0.350
  358    H    CYS  46           HN       CYS  46 -14.707  15.113  -1.365
  359    HA   CYS  46           HA       CYS  46 -17.223  13.920  -1.982
  360   1HB   CYS  46           HB2      CYS  46 -16.077  16.644  -1.634
  361   2HB   CYS  46           HB1      CYS  46 -17.649  16.548  -2.424
  362    H    THR  47           HN       THR  47 -15.083  15.950  -4.023
  363    HA   THR  47           HA       THR  47 -16.803  15.807  -6.361
  364    HB   THR  47           HB       THR  47 -13.856  16.477  -6.069
  365    HG1  THR  47           HG1      THR  47 -14.501  18.394  -5.436
  366   1HG2  THR  47          HG21      THR  47 -14.281  17.836  -8.118
  367   2HG2  THR  47          HG22      THR  47 -15.903  17.150  -8.201
  368   3HG2  THR  47          HG23      THR  47 -14.494  16.107  -8.396
  369    H    SER  48           HN       SER  48 -13.872  14.044  -5.324
  370    HA   SER  48           HA       SER  48 -14.465  11.996  -7.430
  371   1HB   SER  48           HB2      SER  48 -12.010  11.930  -7.859
  372   2HB   SER  48           HB1      SER  48 -12.703  13.510  -8.212
  373    HG   SER  48           HG       SER  48 -10.777  13.628  -6.953
  374    H    ILE  49           HN       ILE  49 -13.559   9.876  -6.926
  375    HA   ILE  49           HA       ILE  49 -13.858   9.095  -4.171
  376    HB   ILE  49           HB       ILE  49 -12.630   7.698  -6.576
  377   1HG1  ILE  49          HG12      ILE  49 -15.425   7.478  -5.425
  378   2HG1  ILE  49          HG11      ILE  49 -15.014   8.537  -6.773
  379   1HG2  ILE  49          HG21      ILE  49 -13.899   6.342  -4.201
  380   2HG2  ILE  49          HG22      ILE  49 -12.186   6.758  -4.185
  381   3HG2  ILE  49          HG23      ILE  49 -12.813   5.660  -5.412
  382   1HD1  ILE  49          HD11      ILE  49 -15.332   5.606  -6.718
  383   2HD1  ILE  49          HD12      ILE  49 -13.896   6.159  -7.580
  384   3HD1  ILE  49          HD13      ILE  49 -15.492   6.730  -8.067
  385    H    CYS  50           HN       CYS  50 -12.345   8.891  -2.567
  386    HA   CYS  50           HA       CYS  50  -9.563   9.769  -3.135
  387   1HB   CYS  50           HB2      CYS  50 -11.418   9.588  -0.792
  388   2HB   CYS  50           HB1      CYS  50  -9.684   9.541  -0.468
  389    H    SER  51           HN       SER  51  -7.789   8.406  -2.789
  390    HA   SER  51           HA       SER  51  -8.280   5.530  -2.859
  391   1HB   SER  51           HB2      SER  51  -5.786   5.503  -3.019
  392   2HB   SER  51           HB1      SER  51  -6.525   6.615  -4.165
  393    HG   SER  51           HG       SER  51  -5.787   8.281  -3.042
  394    H    LEU  52           HN       LEU  52  -7.395   4.003  -1.331
  395    HA   LEU  52           HA       LEU  52  -7.944   4.498   1.402
  396   1HB   LEU  52           HB2      LEU  52  -7.899   2.284   0.309
  397   2HB   LEU  52           HB1      LEU  52  -6.156   2.426   0.088
  398    HG   LEU  52           HG       LEU  52  -5.933   2.640   2.592
  399   1HD1  LEU  52          HD11      LEU  52  -8.266   3.376   3.014
  400   2HD1  LEU  52          HD12      LEU  52  -7.851   1.952   3.968
  401   3HD1  LEU  52          HD13      LEU  52  -8.845   1.785   2.520
  402   1HD2  LEU  52          HD21      LEU  52  -5.511   0.494   1.508
  403   2HD2  LEU  52          HD22      LEU  52  -7.237   0.133   1.484
  404   3HD2  LEU  52          HD23      LEU  52  -6.374   0.213   3.020
  405    H    TYR  53           HN       TYR  53  -4.975   4.870  -0.459
  406    HA   TYR  53           HA       TYR  53  -3.074   5.014   1.642
  407   1HB   TYR  53           HB2      TYR  53  -2.541   4.858  -0.744
  408   2HB   TYR  53           HB1      TYR  53  -3.206   6.466  -0.994
  409    HD1  TYR  53           HD1      TYR  53  -1.895   8.398  -0.657
  410    HD2  TYR  53           HD2      TYR  53  -0.550   4.615   0.869
  411    HE1  TYR  53           HE1      TYR  53   0.278   9.420  -0.043
  412    HE2  TYR  53           HE2      TYR  53   1.627   5.637   1.480
  413    HH   TYR  53           HH       TYR  53   2.123   9.020   1.499
  414    H    GLN  54           HN       GLN  54  -5.161   7.572   0.273
  415    HA   GLN  54           HA       GLN  54  -4.018   9.754   1.752
  416   1HB   GLN  54           HB2      GLN  54  -6.766   9.208   0.586
  417   2HB   GLN  54           HB1      GLN  54  -6.300  10.772   1.254
  418   1HG   GLN  54           HG2      GLN  54  -4.430  10.906  -0.349
  419   2HG   GLN  54           HG1      GLN  54  -4.893   9.342  -1.021
  420   1HE2  GLN  54          HE21      GLN  54  -4.978  12.307  -2.082
  421   2HE2  GLN  54          HE22      GLN  54  -6.537  12.422  -2.744
  422    H    LEU  55           HN       LEU  55  -6.661   7.477   2.483
  423    HA   LEU  55           HA       LEU  55  -7.503   8.663   4.960
  424   1HB   LEU  55           HB2      LEU  55  -7.536   5.810   3.917
  425   2HB   LEU  55           HB1      LEU  55  -8.448   6.363   5.321
  426    HG   LEU  55           HG       LEU  55  -8.717   7.556   2.549
  427   1HD1  LEU  55          HD11      LEU  55 -10.865   5.924   3.834
  428   2HD1  LEU  55          HD12      LEU  55  -9.506   5.066   3.107
  429   3HD1  LEU  55          HD13      LEU  55 -10.496   6.145   2.123
  430   1HD2  LEU  55          HD21      LEU  55 -10.209   7.903   5.163
  431   2HD2  LEU  55          HD22      LEU  55 -10.851   8.448   3.614
  432   3HD2  LEU  55          HD23      LEU  55  -9.355   9.140   4.239
  433    H    GLU  56           HN       GLU  56  -5.120   6.141   4.193
  434    HA   GLU  56           HA       GLU  56  -4.339   5.440   6.843
  435   1HB   GLU  56           HB2      GLU  56  -2.895   5.492   4.177
  436   2HB   GLU  56           HB1      GLU  56  -2.213   4.745   5.622
  437   1HG   GLU  56           HG2      GLU  56  -4.180   3.262   5.787
  438   2HG   GLU  56           HG1      GLU  56  -4.861   4.005   4.341
  439    H    ASN  57           HN       ASN  57  -3.165   7.982   4.657
  440    HA   ASN  57           HA       ASN  57  -0.981   8.897   6.286
  441   1HB   ASN  57           HB2      ASN  57  -2.738  10.208   4.186
  442   2HB   ASN  57           HB1      ASN  57  -1.278  10.957   4.833
  443   1HD2  ASN  57          HD21      ASN  57   0.512   8.824   4.968
  444   2HD2  ASN  57          HD22      ASN  57   0.764   8.174   3.421
  445    H    TYR  58           HN       TYR  58  -4.401   9.854   6.089
  446    HA   TYR  58           HA       TYR  58  -4.260  12.084   7.892
  447   1HB   TYR  58           HB2      TYR  58  -6.565  10.212   7.286
  448   2HB   TYR  58           HB1      TYR  58  -6.689  11.840   7.934
  449    HD1  TYR  58           HD1      TYR  58  -4.439  13.045   6.115
  450    HD2  TYR  58           HD2      TYR  58  -7.872  10.585   5.311
  451    HE1  TYR  58           HE1      TYR  58  -4.546  13.941   3.804
  452    HE2  TYR  58           HE2      TYR  58  -7.971  11.478   3.003
  453    HH   TYR  58           HH       TYR  58  -5.426  13.353   1.643
  454    H    CYS  59           HN       CYS  59  -4.285   8.641   8.482
  455    HA   CYS  59           HA       CYS  59  -5.277   8.912  11.246
  456   1HB   CYS  59           HB2      CYS  59  -5.646   6.999   9.532
  457   2HB   CYS  59           HB1      CYS  59  -4.017   6.485   9.968
  458    H    ASN  60           HN       ASN  60  -2.373   9.732   9.931
  459    HA   ASN  60           HA       ASN  60  -0.484   8.361  11.655
  460   1HB   ASN  60           HB2      ASN  60  -0.510  10.794   9.884
  461   2HB   ASN  60           HB1      ASN  60   0.880  10.495  10.930
  462   1HD2  ASN  60          HD21      ASN  60   1.713   8.082  10.768
  463   2HD2  ASN  60          HD22      ASN  60   1.769   7.426   9.204
  Start of MODEL    5
    1   1H    PHE   1           HT1      PHE   1 -20.108  -1.426 -10.497
    2   2H    PHE   1           HT2      PHE   1 -20.064  -2.122  -8.948
    3   3H    PHE   1           HT3      PHE   1 -19.272  -2.880 -10.246
    4    HA   PHE   1           HA       PHE   1 -17.749  -1.661  -8.703
    5   1HB   PHE   1           HB2      PHE   1 -17.186  -2.294 -11.002
    6   2HB   PHE   1           HB1      PHE   1 -18.028  -0.877 -11.625
    7    HD1  PHE   1           HD1      PHE   1 -15.018  -2.081  -9.867
    8    HD2  PHE   1           HD2      PHE   1 -17.087   1.363 -11.387
    9    HE1  PHE   1           HE1      PHE   1 -12.955  -0.726  -9.611
   10    HE2  PHE   1           HE2      PHE   1 -15.026   2.716 -11.132
   11    HZ   PHE   1           HZ       PHE   1 -12.960   1.672 -10.243
   12    H    VAL   2           HN       VAL   2 -18.452  -0.066  -7.220
   13    HA   VAL   2           HA       VAL   2 -19.000   2.609  -8.366
   14    HB   VAL   2           HB       VAL   2 -20.607   2.881  -6.487
   15   1HG1  VAL   2          HG11      VAL   2 -22.323   1.291  -7.363
   16   2HG1  VAL   2          HG12      VAL   2 -21.049   0.465  -8.260
   17   3HG1  VAL   2          HG13      VAL   2 -21.458   2.136  -8.647
   18   1HG2  VAL   2          HG21      VAL   2 -20.890   1.324  -4.835
   19   2HG2  VAL   2          HG22      VAL   2 -19.269   0.816  -5.305
   20   3HG2  VAL   2          HG23      VAL   2 -20.677  -0.030  -5.944
   21    H    ASN   3           HN       ASN   3 -18.321   4.364  -6.941
   22    HA   ASN   3           HA       ASN   3 -16.627   3.736  -4.602
   23   1HB   ASN   3           HB2      ASN   3 -15.609   4.922  -7.212
   24   2HB   ASN   3           HB1      ASN   3 -14.690   4.940  -5.708
   25   1HD2  ASN   3          HD21      ASN   3 -14.570   2.580  -4.657
   26   2HD2  ASN   3          HD22      ASN   3 -14.225   1.326  -5.747
   27    H    GLN   4           HN       GLN   4 -18.157   5.076  -3.506
   28    HA   GLN   4           HA       GLN   4 -18.804   7.763  -4.452
   29   1HB   GLN   4           HB2      GLN   4 -19.219   6.403  -1.776
   30   2HB   GLN   4           HB1      GLN   4 -20.062   7.838  -2.343
   31   1HG   GLN   4           HG2      GLN   4 -21.141   6.605  -4.116
   32   2HG   GLN   4           HG1      GLN   4 -20.153   5.177  -3.802
   33   1HE2  GLN   4          HE21      GLN   4 -22.786   4.616  -3.701
   34   2HE2  GLN   4          HE22      GLN   4 -23.360   4.501  -2.108
   35    H    HIS   5           HN       HIS   5 -18.305   9.702  -3.209
   36    HA   HIS   5           HA       HIS   5 -15.504   9.865  -2.396
   37   1HB   HIS   5           HB2      HIS   5 -17.854  11.770  -2.522
   38   2HB   HIS   5           HB1      HIS   5 -16.260  12.281  -1.967
   39    HD1  HIS   5           HD1      HIS   5 -17.609  13.306  -4.651
   40    HD2  HIS   5           HD2      HIS   5 -14.765  10.272  -4.380
   41    HE1  HIS   5           HE1      HIS   5 -16.489  13.168  -6.920
   42    H    LEU   6           HN       LEU   6 -14.812  10.637  -0.253
   43    HA   LEU   6           HA       LEU   6 -16.542   9.606   1.915
   44   1HB   LEU   6           HB2      LEU   6 -13.604  10.267   1.653
   45   2HB   LEU   6           HB1      LEU   6 -14.341   9.777   3.180
   46    HG   LEU   6           HG       LEU   6 -14.552   8.153   0.638
   47   1HD1  LEU   6          HD11      LEU   6 -12.850   6.669   1.771
   48   2HD1  LEU   6          HD12      LEU   6 -12.586   7.968   2.935
   49   3HD1  LEU   6          HD13      LEU   6 -12.213   8.222   1.230
   50   1HD2  LEU   6          HD21      LEU   6 -15.859   6.756   1.847
   51   2HD2  LEU   6          HD22      LEU   6 -15.984   8.053   3.034
   52   3HD2  LEU   6          HD23      LEU   6 -14.759   6.800   3.223
   53    H    CYS   7           HN       CYS   7 -17.942  11.357   2.272
   54    HA   CYS   7           HA       CYS   7 -16.746  13.684   3.672
   55   1HB   CYS   7           HB2      CYS   7 -18.338  13.709   1.106
   56   2HB   CYS   7           HB1      CYS   7 -18.349  15.105   2.180
   57    H    GLY   8           HN       GLY   8 -18.807  15.125   4.370
   58   1HA   GLY   8           HA2      GLY   8 -20.699  15.204   5.753
   59   2HA   GLY   8           HA1      GLY   8 -21.400  14.076   4.590
   60    H    SER   9           HN       SER   9 -22.360  12.530   5.929
   61    HA   SER   9           HA       SER   9 -21.174  11.664   8.447
   62   1HB   SER   9           HB2      SER   9 -23.120  10.218   8.511
   63   2HB   SER   9           HB1      SER   9 -23.620  11.769   7.844
   64    HG   SER   9           HG       SER   9 -23.154   9.313   6.533
   65    H    HIS  10           HN       HIS  10 -21.022  10.554   5.126
   66    HA   HIS  10           HA       HIS  10 -20.220   7.841   5.539
   67   1HB   HIS  10           HB2      HIS  10 -20.888   9.303   3.427
   68   2HB   HIS  10           HB1      HIS  10 -19.142   9.519   3.298
   69    HD1  HIS  10           HD1      HIS  10 -20.986   6.387   4.414
   70    HD2  HIS  10           HD2      HIS  10 -18.542   7.677   1.292
   71    HE1  HIS  10           HE1      HIS  10 -20.483   4.343   3.008
   72    H    LEU  11           HN       LEU  11 -18.331  10.849   5.362
   73    HA   LEU  11           HA       LEU  11 -15.713   9.727   5.339
   74   1HB   LEU  11           HB2      LEU  11 -16.294  12.091   4.916
   75   2HB   LEU  11           HB1      LEU  11 -16.779  12.280   6.600
   76    HG   LEU  11           HG       LEU  11 -14.427  11.601   7.252
   77   1HD1  LEU  11          HD11      LEU  11 -12.916  12.274   5.073
   78   2HD1  LEU  11          HD12      LEU  11 -14.258  11.426   4.306
   79   3HD1  LEU  11          HD13      LEU  11 -13.294  10.616   5.538
   80   1HD2  LEU  11          HD21      LEU  11 -13.452  13.839   6.542
   81   2HD2  LEU  11          HD22      LEU  11 -15.022  13.931   7.340
   82   3HD2  LEU  11          HD23      LEU  11 -14.914  14.083   5.588
   83    H    VAL  12           HN       VAL  12 -17.806  10.627   8.115
   84    HA   VAL  12           HA       VAL  12 -15.938  10.068  10.196
   85    HB   VAL  12           HB       VAL  12 -18.967   9.945  10.021
   86   1HG1  VAL  12          HG11      VAL  12 -18.418   8.646  11.958
   87   2HG1  VAL  12          HG12      VAL  12 -18.826  10.255  12.553
   88   3HG1  VAL  12          HG13      VAL  12 -17.137   9.764  12.427
   89   1HG2  VAL  12          HG21      VAL  12 -16.935  12.035  10.788
   90   2HG2  VAL  12          HG22      VAL  12 -18.596  12.133  11.371
   91   3HG2  VAL  12          HG23      VAL  12 -18.266  12.163   9.639
   92    H    GLU  13           HN       GLU  13 -18.476   7.972   8.790
   93    HA   GLU  13           HA       GLU  13 -17.905   5.640  10.316
   94   1HB   GLU  13           HB2      GLU  13 -19.028   6.086   7.540
   95   2HB   GLU  13           HB1      GLU  13 -19.030   4.509   8.330
   96   1HG   GLU  13           HG2      GLU  13 -20.255   7.002   9.542
   97   2HG   GLU  13           HG1      GLU  13 -21.171   5.797   8.636
   98    H    ALA  14           HN       ALA  14 -16.577   6.771   7.235
   99    HA   ALA  14           HA       ALA  14 -15.005   4.489   6.584
  100   1HB   ALA  14           HB1      ALA  14 -14.163   7.298   5.946
  101   2HB   ALA  14           HB2      ALA  14 -15.688   6.688   5.304
  102   3HB   ALA  14           HB3      ALA  14 -14.174   5.878   4.900
  103    H    LEU  15           HN       LEU  15 -14.140   7.462   8.384
  104    HA   LEU  15           HA       LEU  15 -11.382   6.879   8.775
  105   1HB   LEU  15           HB2      LEU  15 -13.431   8.418  10.389
  106   2HB   LEU  15           HB1      LEU  15 -11.706   8.443  10.756
  107    HG   LEU  15           HG       LEU  15 -12.902   9.197   8.074
  108   1HD1  LEU  15          HD11      LEU  15 -11.699  11.446   9.193
  109   2HD1  LEU  15          HD12      LEU  15 -12.541  10.710  10.556
  110   3HD1  LEU  15          HD13      LEU  15 -13.433  11.142   9.098
  111   1HD2  LEU  15          HD21      LEU  15 -10.385  10.301   8.246
  112   2HD2  LEU  15          HD22      LEU  15 -10.753   8.780   7.434
  113   3HD2  LEU  15          HD23      LEU  15 -10.161   8.773   9.096
  114    H    TYR  16           HN       TYR  16 -14.224   5.967  10.743
  115    HA   TYR  16           HA       TYR  16 -12.824   4.791  12.938
  116   1HB   TYR  16           HB2      TYR  16 -15.519   4.574  11.659
  117   2HB   TYR  16           HB1      TYR  16 -15.079   3.347  12.846
  118    HD1  TYR  16           HD1      TYR  16 -15.496   3.778  15.092
  119    HD2  TYR  16           HD2      TYR  16 -14.952   7.077  12.399
  120    HE1  TYR  16           HE1      TYR  16 -16.005   5.362  16.930
  121    HE2  TYR  16           HE2      TYR  16 -15.463   8.662  14.235
  122    HH   TYR  16           HH       TYR  16 -15.445   8.736  16.657
  123    H    LEU  17           HN       LEU  17 -13.969   3.351   9.874
  124    HA   LEU  17           HA       LEU  17 -13.079   0.687  10.459
  125   1HB   LEU  17           HB2      LEU  17 -13.691   2.164   7.917
  126   2HB   LEU  17           HB1      LEU  17 -13.437   0.427   7.987
  127    HG   LEU  17           HG       LEU  17 -15.509   1.849   9.675
  128   1HD1  LEU  17          HD11      LEU  17 -15.641   1.845   6.978
  129   2HD1  LEU  17          HD12      LEU  17 -17.070   1.680   7.998
  130   3HD1  LEU  17          HD13      LEU  17 -16.317   0.248   7.298
  131   1HD2  LEU  17          HD21      LEU  17 -16.243  -0.280  10.256
  132   2HD2  LEU  17          HD22      LEU  17 -14.517  -0.591  10.073
  133   3HD2  LEU  17          HD23      LEU  17 -15.631  -1.008   8.772
  134    H    VAL  18           HN       VAL  18 -11.579   3.364   8.635
  135    HA   VAL  18           HA       VAL  18  -9.280   1.856   7.766
  136    HB   VAL  18           HB       VAL  18  -9.900   4.785   8.053
  137   1HG1  VAL  18          HG11      VAL  18  -7.503   3.445   6.777
  138   2HG1  VAL  18          HG12      VAL  18  -7.489   4.635   8.078
  139   3HG1  VAL  18          HG13      VAL  18  -7.971   5.115   6.451
  140   1HG2  VAL  18          HG21      VAL  18  -9.995   2.773   5.814
  141   2HG2  VAL  18          HG22      VAL  18  -9.942   4.505   5.488
  142   3HG2  VAL  18          HG23      VAL  18 -11.287   3.821   6.400
  143    H    CYS  19           HN       CYS  19  -9.811   4.066  10.508
  144    HA   CYS  19           HA       CYS  19  -7.102   3.940  11.491
  145   1HB   CYS  19           HB2      CYS  19  -9.764   4.695  12.657
  146   2HB   CYS  19           HB1      CYS  19  -8.264   4.867  13.563
  147    H    GLY  20           HN       GLY  20 -10.065   2.144  12.287
  148   1HA   GLY  20           HA2      GLY  20 -10.353   0.087  13.359
  149   2HA   GLY  20           HA1      GLY  20  -8.633  -0.192  13.105
  150    H    GLU  21           HN       GLU  21  -9.485   2.704  14.804
  151    HA   GLU  21           HA       GLU  21  -8.768   1.403  17.383
  152   1HB   GLU  21           HB2      GLU  21  -7.932   4.026  16.139
  153   2HB   GLU  21           HB1      GLU  21  -7.686   3.674  17.849
  154   1HG   GLU  21           HG2      GLU  21  -6.380   1.669  17.255
  155   2HG   GLU  21           HG1      GLU  21  -6.622   2.014  15.544
  156    H    ARG  22           HN       ARG  22 -10.065   1.939  19.121
  157    HA   ARG  22           HA       ARG  22 -12.659   3.032  18.753
  158   1HB   ARG  22           HB2      ARG  22 -11.955   1.523  20.574
  159   2HB   ARG  22           HB1      ARG  22 -10.922   2.791  21.230
  160   1HG   ARG  22           HG2      ARG  22 -12.868   4.203  21.665
  161   2HG   ARG  22           HG1      ARG  22 -13.931   3.010  20.917
  162   1HD   ARG  22           HD2      ARG  22 -13.540   1.419  22.661
  163   2HD   ARG  22           HD1      ARG  22 -12.169   2.350  23.296
  164    HE   ARG  22           HE       ARG  22 -13.708   3.825  24.331
  165   1HH1  ARG  22          HH21      ARG  22 -15.314   4.373  21.838
  166   2HH1  ARG  22          HH22      ARG  22 -16.873   3.765  22.284
  167   1HH2  ARG  22          HH11      ARG  22 -15.680   1.933  24.976
  168   2HH2  ARG  22          HH12      ARG  22 -17.081   2.385  24.063
  169    H    GLY  23           HN       GLY  23  -9.698   4.526  20.087
  170   1HA   GLY  23           HA2      GLY  23 -11.022   7.192  19.770
  171   2HA   GLY  23           HA1      GLY  23  -9.879   6.841  21.066
  172    H    PHE  24           HN       PHE  24 -10.054   6.764  17.498
  173    HA   PHE  24           HA       PHE  24  -7.174   6.960  17.166
  174   1HB   PHE  24           HB2      PHE  24  -7.820   7.290  14.772
  175   2HB   PHE  24           HB1      PHE  24  -8.624   5.903  15.499
  176    HD1  PHE  24           HD1      PHE  24  -9.089   9.490  14.584
  177    HD2  PHE  24           HD2      PHE  24 -10.996   5.786  15.626
  178    HE1  PHE  24           HE1      PHE  24 -11.291  10.453  13.977
  179    HE2  PHE  24           HE2      PHE  24 -13.199   6.752  15.027
  180    HZ   PHE  24           HZ       PHE  24 -13.347   9.085  14.202
  181    H    PHE  25           HN       PHE  25  -5.941   8.809  16.885
  182    HA   PHE  25           HA       PHE  25  -7.063  11.346  17.723
  183   1HB   PHE  25           HB2      PHE  25  -4.358  10.464  16.684
  184   2HB   PHE  25           HB1      PHE  25  -4.683  12.076  17.322
  185    HD1  PHE  25           HD1      PHE  25  -3.411   8.964  18.199
  186    HD2  PHE  25           HD2      PHE  25  -6.123  11.967  19.643
  187    HE1  PHE  25           HE1      PHE  25  -3.126   8.112  20.512
  188    HE2  PHE  25           HE2      PHE  25  -5.836  11.116  21.954
  189    HZ   PHE  25           HZ       PHE  25  -4.339   9.188  22.389
  190    H    TYR  26           HN       TYR  26  -5.507  10.251  14.682
  191    HA   TYR  26           HA       TYR  26  -5.633  11.129  12.488
  192   1HB   TYR  26           HB2      TYR  26  -7.966  10.222  13.121
  193   2HB   TYR  26           HB1      TYR  26  -8.431  11.911  13.327
  194    HD1  TYR  26           HD1      TYR  26  -8.713  13.378  11.432
  195    HD2  TYR  26           HD2      TYR  26  -7.213   9.387  10.902
  196    HE1  TYR  26           HE1      TYR  26  -9.010  13.591   8.979
  197    HE2  TYR  26           HE2      TYR  26  -7.511   9.601   8.450
  198    HH   TYR  26           HH       TYR  26  -9.267  11.303   6.951
  199    H    THR  27           HN       THR  27  -4.549  12.958  14.417
  200    HA   THR  27           HA       THR  27  -5.783  15.568  14.165
  201    HB   THR  27           HB       THR  27  -3.052  14.612  15.080
  202    HG1  THR  27           HG1      THR  27  -4.413  13.876  16.536
  203   1HG2  THR  27          HG21      THR  27  -2.909  16.800  16.245
  204   2HG2  THR  27          HG22      THR  27  -4.403  17.302  15.453
  205   3HG2  THR  27          HG23      THR  27  -2.957  16.990  14.492
  206    HA   PRO  28           HA       PRO  28  -3.900  16.510  10.229
  207   1HB   PRO  28           HB2      PRO  28  -4.357  19.204  10.180
  208   2HB   PRO  28           HB1      PRO  28  -5.633  18.008   9.876
  209   1HG   PRO  28           HG2      PRO  28  -5.067  19.593  12.321
  210   2HG   PRO  28           HG1      PRO  28  -6.617  19.090  11.632
  211   1HD   PRO  28           HD2      PRO  28  -5.401  17.877  13.779
  212   2HD   PRO  28           HD1      PRO  28  -6.588  17.089  12.717
  213    H    LYS  29           HN       LYS  29  -2.465  18.779   9.610
  214    HA   LYS  29           HA       LYS  29  -0.015  18.410  11.125
  215   1HB   LYS  29           HB2      LYS  29  -0.896  20.114   8.798
  216   2HB   LYS  29           HB1      LYS  29   0.739  20.208   9.455
  217   1HG   LYS  29           HG2      LYS  29   1.039  17.793   9.079
  218   2HG   LYS  29           HG1      LYS  29  -0.598  17.685   8.432
  219   1HD   LYS  29           HD2      LYS  29   0.973  17.841   6.578
  220   2HD   LYS  29           HD1      LYS  29   0.042  19.336   6.666
  221   1HE   LYS  29           HE2      LYS  29   1.863  20.589   7.338
  222   2HE   LYS  29           HE1      LYS  29   2.604  19.232   8.208
  223   1HZ   LYS  29           HZ1      LYS  29   3.703  19.827   6.047
  224   2HZ   LYS  29           HZ2      LYS  29   2.296  19.292   5.258
  225   3HZ   LYS  29           HZ3      LYS  29   3.219  18.207   6.183
  226    H    THR  30           HN       THR  30  -1.751  19.368  13.014
  227    HA   THR  30           HA       THR  30  -2.244  21.110  14.504
  228    HB   THR  30           HB       THR  30  -0.069  22.154  15.169
  229    HG1  THR  30           HG1      THR  30   1.736  21.644  14.018
  230   1HG2  THR  30          HG21      THR  30   0.606  20.218  16.196
  231   2HG2  THR  30          HG22      THR  30   0.513  19.280  14.705
  232   3HG2  THR  30          HG23      THR  30  -0.959  19.673  15.592
  233    H    ARG  31           HN       ARG  31  -3.364  22.050  12.212
  234    HA   ARG  31           HA       ARG  31  -2.200  24.543  11.292
  235   1HB   ARG  31           HB2      ARG  31  -4.895  23.201  11.002
  236   2HB   ARG  31           HB1      ARG  31  -4.494  24.721  10.201
  237   1HG   ARG  31           HG2      ARG  31  -2.565  23.624   9.103
  238   2HG   ARG  31           HG1      ARG  31  -2.995  22.103   9.883
  239   1HD   ARG  31           HD2      ARG  31  -3.843  22.276   7.513
  240   2HD   ARG  31           HD1      ARG  31  -5.146  22.060   8.695
  241    HE   ARG  31           HE       ARG  31  -5.916  24.200   8.072
  242   1HH1  ARG  31          HH11      ARG  31  -3.428  23.779   6.016
  243   2HH1  ARG  31          HH12      ARG  31  -2.863  25.416   6.006
  244   1HH2  ARG  31          HH21      ARG  31  -4.795  26.380   8.719
  245   2HH2  ARG  31          HH22      ARG  31  -3.641  26.891   7.532
  246    H    ARG  32           HN       ARG  32  -2.490  26.559  12.175
  247    HA   ARG  32           HA       ARG  32  -4.318  26.826  14.498
  248   1HB   ARG  32           HB2      ARG  32  -1.912  28.362  13.486
  249   2HB   ARG  32           HB1      ARG  32  -2.862  28.869  14.883
  250   1HG   ARG  32           HG2      ARG  32  -2.400  26.711  15.986
  251   2HG   ARG  32           HG1      ARG  32  -1.447  26.203  14.591
  252   1HD   ARG  32           HD2      ARG  32   0.054  28.191  14.963
  253   2HD   ARG  32           HD1      ARG  32  -0.838  28.517  16.462
  254    HE   ARG  32           HE       ARG  32  -0.041  25.752  16.384
  255   1HH1  ARG  32          HH21      ARG  32   2.087  28.171  15.757
  256   2HH1  ARG  32          HH22      ARG  32   2.991  28.044  17.229
  257   1HH2  ARG  32          HH11      ARG  32   0.721  25.905  18.747
  258   2HH2  ARG  32          HH12      ARG  32   2.217  26.761  18.923
  259    H    TYR  33           HN       TYR  33  -6.305  27.635  13.859
  260    HA   TYR  33           HA       TYR  33  -6.367  30.153  12.303
  261   1HB   TYR  33           HB2      TYR  33  -6.988  27.477  11.284
  262   2HB   TYR  33           HB1      TYR  33  -8.333  28.596  11.089
  263    HD1  TYR  33           HD1      TYR  33  -4.762  28.007  10.285
  264    HD2  TYR  33           HD2      TYR  33  -8.217  30.455   9.567
  265    HE1  TYR  33           HE1      TYR  33  -3.611  29.067   8.362
  266    HE2  TYR  33           HE2      TYR  33  -7.066  31.515   7.643
  267    HH   TYR  33           HH       TYR  33  -4.705  31.901   6.900
  268    HA   PRO  34           HA       PRO  34  -9.771  30.575  15.119
  269   1HB   PRO  34           HB2      PRO  34 -10.689  33.009  14.289
  270   2HB   PRO  34           HB1      PRO  34  -9.196  32.809  15.224
  271   1HG   PRO  34           HG2      PRO  34  -9.555  33.452  12.381
  272   2HG   PRO  34           HG1      PRO  34  -8.190  33.785  13.453
  273   1HD   PRO  34           HD2      PRO  34  -8.399  31.724  11.513
  274   2HD   PRO  34           HD1      PRO  34  -7.089  31.977  12.686
  275    H    GLY  35           HN       GLY  35 -10.857  28.731  13.801
  276   1HA   GLY  35           HA2      GLY  35 -13.298  28.406  13.367
  277   2HA   GLY  35           HA1      GLY  35 -13.227  29.840  12.345
  278    H    ASP  36           HN       ASP  36 -12.081  26.483  12.605
  279    HA   ASP  36           HA       ASP  36 -11.079  26.408   9.853
  280   1HB   ASP  36           HB2      ASP  36 -11.689  24.280  11.932
  281   2HB   ASP  36           HB1      ASP  36 -10.828  23.983  10.422
  282    H    VAL  37           HN       VAL  37 -12.486  26.344   8.147
  283    HA   VAL  37           HA       VAL  37 -15.284  25.680   8.402
  284    HB   VAL  37           HB       VAL  37 -13.428  26.061   6.032
  285   1HG1  VAL  37          HG11      VAL  37 -15.140  25.592   4.643
  286   2HG1  VAL  37          HG12      VAL  37 -16.211  26.689   5.514
  287   3HG1  VAL  37          HG13      VAL  37 -16.055  25.011   6.034
  288   1HG2  VAL  37          HG21      VAL  37 -14.933  27.856   7.854
  289   2HG2  VAL  37          HG22      VAL  37 -15.044  28.250   6.138
  290   3HG2  VAL  37          HG23      VAL  37 -13.467  28.166   6.923
  291    H    LYS  38           HN       LYS  38 -12.432  23.971   7.150
  292    HA   LYS  38           HA       LYS  38 -13.908  21.390   7.366
  293   1HB   LYS  38           HB2      LYS  38 -12.555  22.543   4.916
  294   2HB   LYS  38           HB1      LYS  38 -12.980  20.840   5.056
  295   1HG   LYS  38           HG2      LYS  38 -15.349  21.462   5.391
  296   2HG   LYS  38           HG1      LYS  38 -14.920  23.166   5.238
  297   1HD   LYS  38           HD2      LYS  38 -14.162  22.826   2.955
  298   2HD   LYS  38           HD1      LYS  38 -14.415  21.086   3.091
  299   1HE   LYS  38           HE2      LYS  38 -16.807  21.368   3.263
  300   2HE   LYS  38           HE1      LYS  38 -16.641  23.126   3.420
  301   1HZ   LYS  38           HZ1      LYS  38 -17.104  22.048   1.094
  302   2HZ   LYS  38           HZ2      LYS  38 -15.425  21.796   1.089
  303   3HZ   LYS  38           HZ3      LYS  38 -16.053  23.369   1.234
  304    H    ARG  39           HN       ARG  39 -12.410  19.537   7.359
  305    HA   ARG  39           HA       ARG  39 -10.008  19.986   8.865
  306   1HB   ARG  39           HB2      ARG  39 -11.160  17.622   7.365
  307   2HB   ARG  39           HB1      ARG  39  -9.720  17.504   8.373
  308   1HG   ARG  39           HG2      ARG  39 -11.009  18.284  10.323
  309   2HG   ARG  39           HG1      ARG  39 -12.453  18.418   9.318
  310   1HD   ARG  39           HD2      ARG  39 -12.446  16.018   8.887
  311   2HD   ARG  39           HD1      ARG  39 -10.907  15.835   9.750
  312    HE   ARG  39           HE       ARG  39 -12.823  17.153  11.445
  313   1HH1  ARG  39          HH21      ARG  39 -10.930  14.729  11.943
  314   2HH1  ARG  39          HH22      ARG  39 -12.095  13.526  12.387
  315   1HH2  ARG  39          HH11      ARG  39 -14.807  15.331  11.200
  316   2HH2  ARG  39          HH12      ARG  39 -14.289  13.867  11.967
  317    H    GLY  40           HN       GLY  40 -10.639  19.220   5.461
  318   1HA   GLY  40           HA2      GLY  40  -9.044  20.345   3.835
  319   2HA   GLY  40           HA1      GLY  40  -7.751  19.736   4.871
  320    H    ILE  41           HN       ILE  41  -8.437  17.182   5.395
  321    HA   ILE  41           HA       ILE  41  -7.800  15.757   2.988
  322    HB   ILE  41           HB       ILE  41  -8.911  14.951   5.698
  323   1HG1  ILE  41          HG12      ILE  41  -6.136  14.644   4.512
  324   2HG1  ILE  41          HG11      ILE  41  -6.619  15.990   5.544
  325   1HG2  ILE  41          HG21      ILE  41  -8.424  13.334   3.270
  326   2HG2  ILE  41          HG22      ILE  41  -9.413  12.972   4.684
  327   3HG2  ILE  41          HG23      ILE  41  -7.672  12.704   4.736
  328   1HD1  ILE  41          HD11      ILE  41  -5.480  14.097   6.771
  329   2HD1  ILE  41          HD12      ILE  41  -6.866  13.086   6.365
  330   3HD1  ILE  41          HD13      ILE  41  -7.080  14.505   7.389
  331    H    VAL  42           HN       VAL  42 -10.861  16.328   4.697
  332    HA   VAL  42           HA       VAL  42 -12.528  14.655   3.088
  333    HB   VAL  42           HB       VAL  42 -13.118  15.626   5.290
  334   1HG1  VAL  42          HG11      VAL  42 -13.488  17.918   5.638
  335   2HG1  VAL  42          HG12      VAL  42 -13.641  18.253   3.913
  336   3HG1  VAL  42          HG13      VAL  42 -12.057  17.910   4.609
  337   1HG2  VAL  42          HG21      VAL  42 -14.851  14.950   3.530
  338   2HG2  VAL  42          HG22      VAL  42 -15.038  16.672   3.201
  339   3HG2  VAL  42          HG23      VAL  42 -15.416  16.034   4.801
  340    H    GLU  43           HN       GLU  43 -11.522  18.039   2.709
  341    HA   GLU  43           HA       GLU  43 -13.177  18.771   0.520
  342   1HB   GLU  43           HB2      GLU  43 -10.412  19.556   1.454
  343   2HB   GLU  43           HB1      GLU  43 -11.192  20.359   0.092
  344   1HG   GLU  43           HG2      GLU  43 -13.099  20.962   1.536
  345   2HG   GLU  43           HG1      GLU  43 -12.324  20.158   2.900
  346    H    GLN  44           HN       GLN  44  -9.983  17.207   0.606
  347    HA   GLN  44           HA       GLN  44  -9.565  17.154  -2.243
  348   1HB   GLN  44           HB2      GLN  44  -7.810  16.927  -0.501
  349   2HB   GLN  44           HB1      GLN  44  -8.492  15.370  -0.031
  350   1HG   GLN  44           HG2      GLN  44  -8.075  14.498  -2.304
  351   2HG   GLN  44           HG1      GLN  44  -7.389  16.053  -2.773
  352   1HE2  GLN  44          HE21      GLN  44  -5.147  15.985  -2.736
  353   2HE2  GLN  44          HE22      GLN  44  -4.212  15.113  -1.620
  354    H    CYS  45           HN       CYS  45 -10.976  14.808   0.041
  355    HA   CYS  45           HA       CYS  45 -11.369  12.753  -1.989
  356   1HB   CYS  45           HB2      CYS  45 -12.550  13.118   0.781
  357   2HB   CYS  45           HB1      CYS  45 -12.545  11.619  -0.141
  358    H    CYS  46           HN       CYS  46 -13.266  15.413  -0.703
  359    HA   CYS  46           HA       CYS  46 -15.883  14.592  -1.464
  360   1HB   CYS  46           HB2      CYS  46 -14.456  16.996  -0.641
  361   2HB   CYS  46           HB1      CYS  46 -15.710  17.372  -1.816
  362    H    THR  47           HN       THR  47 -13.538  16.581  -3.332
  363    HA   THR  47           HA       THR  47 -15.238  16.676  -5.694
  364    HB   THR  47           HB       THR  47 -13.133  17.665  -6.671
  365    HG1  THR  47           HG1      THR  47 -11.364  17.828  -5.355
  366   1HG2  THR  47          HG21      THR  47 -13.791  18.761  -3.930
  367   2HG2  THR  47          HG22      THR  47 -14.844  18.962  -5.331
  368   3HG2  THR  47          HG23      THR  47 -13.224  19.659  -5.338
  369    H    SER  48           HN       SER  48 -12.377  14.759  -4.760
  370    HA   SER  48           HA       SER  48 -12.980  12.911  -7.043
  371   1HB   SER  48           HB2      SER  48 -10.340  14.086  -6.128
  372   2HB   SER  48           HB1      SER  48 -10.451  12.726  -7.241
  373    HG   SER  48           HG       SER  48 -10.662  15.316  -7.771
  374    H    ILE  49           HN       ILE  49 -12.370  10.697  -6.629
  375    HA   ILE  49           HA       ILE  49 -12.704   9.824  -3.893
  376    HB   ILE  49           HB       ILE  49 -11.744   8.394  -6.399
  377   1HG1  ILE  49          HG12      ILE  49 -14.522   8.484  -5.192
  378   2HG1  ILE  49          HG11      ILE  49 -14.003   9.566  -6.483
  379   1HG2  ILE  49          HG21      ILE  49 -13.066   7.198  -3.951
  380   2HG2  ILE  49          HG22      ILE  49 -11.316   7.243  -4.165
  381   3HG2  ILE  49          HG23      ILE  49 -12.320   6.342  -5.301
  382   1HD1  ILE  49          HD11      ILE  49 -14.824   6.780  -6.635
  383   2HD1  ILE  49          HD12      ILE  49 -13.236   7.018  -7.362
  384   3HD1  ILE  49          HD13      ILE  49 -14.619   7.952  -7.933
  385    H    CYS  50           HN       CYS  50 -11.143   9.587  -2.345
  386    HA   CYS  50           HA       CYS  50  -8.335  10.168  -2.948
  387   1HB   CYS  50           HB2      CYS  50 -10.000   9.517  -0.518
  388   2HB   CYS  50           HB1      CYS  50  -8.241   9.595  -0.403
  389    H    SER  51           HN       SER  51  -6.583   8.668  -2.607
  390    HA   SER  51           HA       SER  51  -7.196   5.907  -3.364
  391   1HB   SER  51           HB2      SER  51  -4.780   5.751  -3.517
  392   2HB   SER  51           HB1      SER  51  -5.265   7.315  -4.164
  393    HG   SER  51           HG       SER  51  -3.488   7.029  -2.413
  394    H    LEU  52           HN       LEU  52  -6.535   4.045  -2.102
  395    HA   LEU  52           HA       LEU  52  -7.299   4.049   0.630
  396   1HB   LEU  52           HB2      LEU  52  -7.291   2.089  -0.877
  397   2HB   LEU  52           HB1      LEU  52  -5.531   2.145  -0.941
  398    HG   LEU  52           HG       LEU  52  -5.490   1.822   1.551
  399   1HD1  LEU  52          HD11      LEU  52  -7.802   2.666   1.959
  400   2HD1  LEU  52          HD12      LEU  52  -7.532   1.074   2.667
  401   3HD1  LEU  52          HD13      LEU  52  -8.440   1.228   1.163
  402   1HD2  LEU  52          HD21      LEU  52  -7.048  -0.396   0.215
  403   2HD2  LEU  52          HD22      LEU  52  -5.766  -0.532   1.418
  404   3HD2  LEU  52          HD23      LEU  52  -5.378  -0.043  -0.231
  405    H    TYR  53           HN       TYR  53  -4.090   4.211  -0.874
  406    HA   TYR  53           HA       TYR  53  -2.485   3.942   1.448
  407   1HB   TYR  53           HB2      TYR  53  -1.744   3.869  -0.911
  408   2HB   TYR  53           HB1      TYR  53  -2.042   5.598  -1.024
  409    HD1  TYR  53           HD1      TYR  53  -0.601   7.220   0.096
  410    HD2  TYR  53           HD2      TYR  53   0.120   2.998   0.421
  411    HE1  TYR  53           HE1      TYR  53   1.652   7.676   1.026
  412    HE2  TYR  53           HE2      TYR  53   2.373   3.454   1.351
  413    HH   TYR  53           HH       TYR  53   3.334   6.583   2.381
  414    H    GLN  54           HN       GLN  54  -3.873   6.894  -0.027
  415    HA   GLN  54           HA       GLN  54  -2.645   8.721   1.839
  416   1HB   GLN  54           HB2      GLN  54  -5.064   8.857   0.019
  417   2HB   GLN  54           HB1      GLN  54  -4.461  10.248   0.921
  418   1HG   GLN  54           HG2      GLN  54  -2.262  10.010  -0.168
  419   2HG   GLN  54           HG1      GLN  54  -2.860   8.620  -1.075
  420   1HE2  GLN  54          HE21      GLN  54  -3.914  12.021  -0.426
  421   2HE2  GLN  54          HE22      GLN  54  -4.404  12.323  -2.023
  422    H    LEU  55           HN       LEU  55  -5.859   7.129   1.770
  423    HA   LEU  55           HA       LEU  55  -6.981   8.457   4.036
  424   1HB   LEU  55           HB2      LEU  55  -7.344   5.704   2.831
  425   2HB   LEU  55           HB1      LEU  55  -8.383   6.335   4.108
  426    HG   LEU  55           HG       LEU  55  -7.915   7.710   1.447
  427   1HD1  LEU  55          HD11      LEU  55  -9.188   5.484   1.406
  428   2HD1  LEU  55          HD12      LEU  55 -10.036   6.882   0.744
  429   3HD1  LEU  55          HD13      LEU  55 -10.427   6.298   2.361
  430   1HD2  LEU  55          HD21      LEU  55  -9.538   8.303   3.907
  431   2HD2  LEU  55          HD22      LEU  55 -10.126   8.842   2.335
  432   3HD2  LEU  55          HD23      LEU  55  -8.561   9.398   2.928
  433    H    GLU  56           HN       GLU  56  -5.244   5.360   3.829
  434    HA   GLU  56           HA       GLU  56  -5.183   4.752   6.621
  435   1HB   GLU  56           HB2      GLU  56  -3.374   4.095   4.277
  436   2HB   GLU  56           HB1      GLU  56  -3.195   3.346   5.864
  437   1HG   GLU  56           HG2      GLU  56  -5.518   2.518   5.738
  438   2HG   GLU  56           HG1      GLU  56  -5.700   3.264   4.152
  439    H    ASN  57           HN       ASN  57  -2.967   6.597   4.553
  440    HA   ASN  57           HA       ASN  57  -0.877   7.033   6.453
  441   1HB   ASN  57           HB2      ASN  57  -0.704   7.363   4.017
  442   2HB   ASN  57           HB1      ASN  57  -1.845   8.704   4.109
  443   1HD2  ASN  57          HD21      ASN  57   1.146   7.758   5.916
  444   2HD2  ASN  57          HD22      ASN  57   1.856   9.298   5.829
  445    H    TYR  58           HN       TYR  58  -3.818   8.949   5.744
  446    HA   TYR  58           HA       TYR  58  -3.202  11.214   7.349
  447   1HB   TYR  58           HB2      TYR  58  -5.867   9.903   6.752
  448   2HB   TYR  58           HB1      TYR  58  -5.646  11.549   7.322
  449    HD1  TYR  58           HD1      TYR  58  -3.144  12.232   5.658
  450    HD2  TYR  58           HD2      TYR  58  -6.860  10.331   4.630
  451    HE1  TYR  58           HE1      TYR  58  -2.885  12.990   3.313
  452    HE2  TYR  58           HE2      TYR  58  -6.593  11.085   2.285
  453    HH   TYR  58           HH       TYR  58  -4.284  13.419   1.353
  454    H    CYS  59           HN       CYS  59  -4.672   8.103   8.252
  455    HA   CYS  59           HA       CYS  59  -5.068   8.997  11.041
  456   1HB   CYS  59           HB2      CYS  59  -6.615   7.481   9.699
  457   2HB   CYS  59           HB1      CYS  59  -5.370   6.238   9.824
  458    H    ASN  60           HN       ASN  60  -2.478   7.746   9.208
  459    HA   ASN  60           HA       ASN  60  -1.286   5.976  11.176
  460   1HB   ASN  60           HB2      ASN  60  -0.382   7.447   8.706
  461   2HB   ASN  60           HB1      ASN  60   0.789   6.585   9.698
  462   1HD2  ASN  60          HD21      ASN  60   0.793   5.375   7.402
  463   2HD2  ASN  60          HD22      ASN  60  -0.231   4.025   7.309
  Start of MODEL    6
    1   1H    PHE   1           HT1      PHE   1 -21.508  -4.550  -6.534
    2   2H    PHE   1           HT2      PHE   1 -20.667  -3.655  -7.709
    3   3H    PHE   1           HT3      PHE   1 -21.904  -2.923  -6.803
    4    HA   PHE   1           HA       PHE   1 -20.571  -3.218  -4.765
    5   1HB   PHE   1           HB2      PHE   1 -19.442  -5.232  -5.815
    6   2HB   PHE   1           HB1      PHE   1 -18.472  -4.107  -6.767
    7    HD1  PHE   1           HD1      PHE   1 -18.942  -5.669  -3.533
    8    HD2  PHE   1           HD2      PHE   1 -17.002  -2.428  -5.577
    9    HE1  PHE   1           HE1      PHE   1 -17.400  -5.382  -1.612
   10    HE2  PHE   1           HE2      PHE   1 -15.459  -2.140  -3.657
   11    HZ   PHE   1           HZ       PHE   1 -15.658  -3.618  -1.675
   12    H    VAL   2           HN       VAL   2 -19.737  -1.220  -4.189
   13    HA   VAL   2           HA       VAL   2 -18.623   0.512  -6.324
   14    HB   VAL   2           HB       VAL   2 -19.875   2.355  -5.204
   15   1HG1  VAL   2          HG11      VAL   2 -21.990   1.822  -6.155
   16   2HG1  VAL   2          HG12      VAL   2 -21.757   0.095  -5.887
   17   3HG1  VAL   2          HG13      VAL   2 -20.809   0.933  -7.116
   18   1HG2  VAL   2          HG21      VAL   2 -20.037   0.598  -3.078
   19   2HG2  VAL   2          HG22      VAL   2 -21.665   0.526  -3.752
   20   3HG2  VAL   2          HG23      VAL   2 -20.989   2.073  -3.244
   21    H    ASN   3           HN       ASN   3 -17.191   2.215  -5.486
   22    HA   ASN   3           HA       ASN   3 -16.226   1.969  -2.699
   23   1HB   ASN   3           HB2      ASN   3 -15.094   0.209  -4.122
   24   2HB   ASN   3           HB1      ASN   3 -14.416   1.515  -5.094
   25   1HD2  ASN   3          HD21      ASN   3 -12.212   0.973  -4.401
   26   2HD2  ASN   3          HD22      ASN   3 -11.675   1.329  -2.831
   27    H    GLN   4           HN       GLN   4 -17.145   4.186  -2.848
   28    HA   GLN   4           HA       GLN   4 -15.858   6.165  -4.588
   29   1HB   GLN   4           HB2      GLN   4 -17.757   6.390  -2.228
   30   2HB   GLN   4           HB1      GLN   4 -17.380   7.691  -3.354
   31   1HG   GLN   4           HG2      GLN   4 -18.599   5.031  -4.162
   32   2HG   GLN   4           HG1      GLN   4 -19.518   6.516  -3.915
   33   1HE2  GLN   4          HE21      GLN   4 -18.779   4.828  -6.444
   34   2HE2  GLN   4          HE22      GLN   4 -18.218   5.999  -7.537
   35    H    HIS   5           HN       HIS   5 -14.922   8.185  -3.481
   36    HA   HIS   5           HA       HIS   5 -12.715   7.401  -1.776
   37   1HB   HIS   5           HB2      HIS   5 -12.415   9.980  -1.667
   38   2HB   HIS   5           HB1      HIS   5 -12.254   9.193  -3.225
   39    HD1  HIS   5           HD1      HIS   5 -13.097  10.932  -4.804
   40    HD2  HIS   5           HD2      HIS   5 -15.690  10.386  -1.588
   41    HE1  HIS   5           HE1      HIS   5 -15.140  12.338  -5.296
   42    H    LEU   6           HN       LEU   6 -12.304   8.057   0.393
   43    HA   LEU   6           HA       LEU   6 -14.610   7.909   2.130
   44   1HB   LEU   6           HB2      LEU   6 -11.635   8.140   2.380
   45   2HB   LEU   6           HB1      LEU   6 -12.630   8.404   3.813
   46    HG   LEU   6           HG       LEU   6 -13.810   6.177   2.988
   47   1HD1  LEU   6          HD11      LEU   6 -11.005   5.979   1.852
   48   2HD1  LEU   6          HD12      LEU   6 -12.505   5.967   0.925
   49   3HD1  LEU   6          HD13      LEU   6 -12.129   4.629   2.011
   50   1HD2  LEU   6          HD21      LEU   6 -12.405   4.964   4.538
   51   2HD2  LEU   6          HD22      LEU   6 -12.557   6.618   5.131
   52   3HD2  LEU   6          HD23      LEU   6 -11.083   6.108   4.306
   53    H    CYS   7           HN       CYS   7 -15.856   9.782   1.765
   54    HA   CYS   7           HA       CYS   7 -14.838  12.230   3.084
   55   1HB   CYS   7           HB2      CYS   7 -14.501  11.955   0.416
   56   2HB   CYS   7           HB1      CYS   7 -16.142  12.600   0.431
   57    H    GLY   8           HN       GLY   8 -16.708  13.896   3.132
   58   1HA   GLY   8           HA2      GLY   8 -18.868  14.402   3.877
   59   2HA   GLY   8           HA1      GLY   8 -19.391  13.330   2.576
   60    H    SER   9           HN       SER   9 -20.979  12.099   3.563
   61    HA   SER   9           HA       SER   9 -20.916  11.267   6.334
   62   1HB   SER   9           HB2      SER   9 -22.507  10.419   3.902
   63   2HB   SER   9           HB1      SER   9 -22.859   9.851   5.531
   64    HG   SER   9           HG       SER   9 -22.699  12.581   4.760
   65    H    HIS  10           HN       HIS  10 -19.961   9.720   3.301
   66    HA   HIS  10           HA       HIS  10 -19.674   7.035   4.206
   67   1HB   HIS  10           HB2      HIS  10 -19.611   7.830   1.850
   68   2HB   HIS  10           HB1      HIS  10 -18.051   8.590   2.163
   69    HD1  HIS  10           HD1      HIS  10 -19.395   5.111   3.010
   70    HD2  HIS  10           HD2      HIS  10 -16.145   6.900   1.108
   71    HE1  HIS  10           HE1      HIS  10 -17.844   3.230   2.321
   72    H    LEU  11           HN       LEU  11 -17.488   9.816   4.443
   73    HA   LEU  11           HA       LEU  11 -15.117   8.470   5.257
   74   1HB   LEU  11           HB2      LEU  11 -15.264  10.833   4.587
   75   2HB   LEU  11           HB1      LEU  11 -16.229  11.193   6.016
   76    HG   LEU  11           HG       LEU  11 -14.330  10.472   7.451
   77   1HD1  LEU  11          HD11      LEU  11 -13.280   8.908   5.860
   78   2HD1  LEU  11          HD12      LEU  11 -12.120  10.118   6.407
   79   3HD1  LEU  11          HD13      LEU  11 -12.853  10.258   4.810
   80   1HD2  LEU  11          HD21      LEU  11 -13.943  12.657   5.408
   81   2HD2  LEU  11          HD22      LEU  11 -12.750  12.380   6.677
   82   3HD2  LEU  11          HD23      LEU  11 -14.408  12.805   7.103
   83    H    VAL  12           HN       VAL  12 -17.795   9.781   7.258
   84    HA   VAL  12           HA       VAL  12 -16.658   9.092   9.799
   85    HB   VAL  12           HB       VAL  12 -19.517   9.409   8.816
   86   1HG1  VAL  12          HG11      VAL  12 -20.223   9.614  11.090
   87   2HG1  VAL  12          HG12      VAL  12 -18.562   9.637  11.679
   88   3HG1  VAL  12          HG13      VAL  12 -19.246   8.148  11.030
   89   1HG2  VAL  12          HG21      VAL  12 -19.301  11.670   9.293
   90   2HG2  VAL  12          HG22      VAL  12 -17.660  11.302   8.764
   91   3HG2  VAL  12          HG23      VAL  12 -18.029  11.403  10.485
   92    H    GLU  13           HN       GLU  13 -19.131   7.404   7.852
   93    HA   GLU  13           HA       GLU  13 -19.326   5.067   9.456
   94   1HB   GLU  13           HB2      GLU  13 -20.921   5.744   7.701
   95   2HB   GLU  13           HB1      GLU  13 -19.693   5.454   6.469
   96   1HG   GLU  13           HG2      GLU  13 -19.596   3.073   7.125
   97   2HG   GLU  13           HG1      GLU  13 -20.825   3.361   8.353
   98    H    ALA  14           HN       ALA  14 -17.298   5.729   6.606
   99    HA   ALA  14           HA       ALA  14 -16.056   3.194   6.380
  100   1HB   ALA  14           HB1      ALA  14 -15.967   4.924   4.665
  101   2HB   ALA  14           HB2      ALA  14 -14.320   4.509   5.142
  102   3HB   ALA  14           HB3      ALA  14 -15.067   5.989   5.745
  103    H    LEU  15           HN       LEU  15 -14.935   6.100   8.166
  104    HA   LEU  15           HA       LEU  15 -12.493   5.000   9.125
  105   1HB   LEU  15           HB2      LEU  15 -14.381   7.107  10.196
  106   2HB   LEU  15           HB1      LEU  15 -12.794   6.797  10.902
  107    HG   LEU  15           HG       LEU  15 -13.226   7.433   7.971
  108   1HD1  LEU  15          HD11      LEU  15 -13.845   9.430   9.082
  109   2HD1  LEU  15          HD12      LEU  15 -12.135   9.657   8.714
  110   3HD1  LEU  15          HD13      LEU  15 -12.634   9.203  10.344
  111   1HD2  LEU  15          HD21      LEU  15 -11.127   6.524   7.970
  112   2HD2  LEU  15          HD22      LEU  15 -10.913   6.763   9.704
  113   3HD2  LEU  15          HD23      LEU  15 -10.662   8.108   8.592
  114    H    TYR  16           HN       TYR  16 -15.774   4.864  10.550
  115    HA   TYR  16           HA       TYR  16 -15.063   3.673  13.046
  116   1HB   TYR  16           HB2      TYR  16 -17.476   3.763  11.264
  117   2HB   TYR  16           HB1      TYR  16 -17.495   2.676  12.652
  118    HD1  TYR  16           HD1      TYR  16 -16.155   4.006  14.773
  119    HD2  TYR  16           HD2      TYR  16 -18.648   5.723  11.725
  120    HE1  TYR  16           HE1      TYR  16 -16.679   5.908  16.275
  121    HE2  TYR  16           HE2      TYR  16 -19.170   7.627  13.227
  122    HH   TYR  16           HH       TYR  16 -19.176   7.883  15.931
  123    H    LEU  17           HN       LEU  17 -16.026   2.133   9.965
  124    HA   LEU  17           HA       LEU  17 -15.645  -0.566  10.870
  125   1HB   LEU  17           HB2      LEU  17 -15.769   0.758   8.177
  126   2HB   LEU  17           HB1      LEU  17 -15.724  -0.988   8.376
  127    HG   LEU  17           HG       LEU  17 -17.796   0.794   9.681
  128   1HD1  LEU  17          HD11      LEU  17 -19.170   0.574   7.858
  129   2HD1  LEU  17          HD12      LEU  17 -18.516  -1.006   7.425
  130   3HD1  LEU  17          HD13      LEU  17 -17.632   0.461   7.003
  131   1HD2  LEU  17          HD21      LEU  17 -17.232  -2.141   9.546
  132   2HD2  LEU  17          HD22      LEU  17 -18.920  -1.628   9.554
  133   3HD2  LEU  17          HD23      LEU  17 -17.856  -1.180  10.887
  134    H    VAL  18           HN       VAL  18 -13.603   1.726   9.091
  135    HA   VAL  18           HA       VAL  18 -11.426  -0.155   8.678
  136    HB   VAL  18           HB       VAL  18 -11.824   2.808   8.363
  137   1HG1  VAL  18          HG11      VAL  18  -9.689   2.658   6.946
  138   2HG1  VAL  18          HG12      VAL  18  -9.372   1.141   7.787
  139   3HG1  VAL  18          HG13      VAL  18  -9.472   2.649   8.696
  140   1HG2  VAL  18          HG21      VAL  18 -13.051   1.667   6.716
  141   2HG2  VAL  18          HG22      VAL  18 -11.823   0.411   6.549
  142   3HG2  VAL  18          HG23      VAL  18 -11.527   2.025   5.902
  143    H    CYS  19           HN       CYS  19 -11.389   2.947  10.417
  144    HA   CYS  19           HA       CYS  19  -9.136   2.098  12.070
  145   1HB   CYS  19           HB2      CYS  19 -10.869   4.522  11.802
  146   2HB   CYS  19           HB1      CYS  19  -9.677   4.414  13.094
  147    H    GLY  20           HN       GLY  20 -12.238   3.511  13.132
  148   1HA   GLY  20           HA2      GLY  20 -13.593   3.018  14.974
  149   2HA   GLY  20           HA1      GLY  20 -13.045   1.353  14.794
  150    H    GLU  21           HN       GLU  21 -10.580   3.754  15.246
  151    HA   GLU  21           HA       GLU  21  -9.803   2.528  17.772
  152   1HB   GLU  21           HB2      GLU  21  -8.288   3.293  15.875
  153   2HB   GLU  21           HB1      GLU  21  -8.642   4.948  16.378
  154   1HG   GLU  21           HG2      GLU  21  -7.700   4.570  18.563
  155   2HG   GLU  21           HG1      GLU  21  -7.561   2.840  18.264
  156    H    ARG  22           HN       ARG  22  -9.791   3.565  19.788
  157    HA   ARG  22           HA       ARG  22 -11.908   5.331  20.436
  158   1HB   ARG  22           HB2      ARG  22  -9.315   4.635  21.844
  159   2HB   ARG  22           HB1      ARG  22 -10.667   5.464  22.620
  160   1HG   ARG  22           HG2      ARG  22 -12.149   3.567  22.081
  161   2HG   ARG  22           HG1      ARG  22 -10.802   2.733  21.307
  162   1HD   ARG  22           HD2      ARG  22  -9.570   2.776  23.488
  163   2HD   ARG  22           HD1      ARG  22 -11.013   3.483  24.245
  164    HE   ARG  22           HE       ARG  22 -12.227   1.406  23.275
  165   1HH1  ARG  22          HH11      ARG  22 -10.434   1.059  25.788
  166   2HH1  ARG  22          HH12      ARG  22  -9.657  -0.439  25.401
  167   1HH2  ARG  22          HH21      ARG  22 -10.563  -0.352  22.056
  168   2HH2  ARG  22          HH22      ARG  22  -9.728  -1.237  23.288
  169    H    GLY  23           HN       GLY  23  -8.456   6.019  19.830
  170   1HA   GLY  23           HA2      GLY  23  -8.932   8.914  20.252
  171   2HA   GLY  23           HA1      GLY  23  -7.360   8.155  20.011
  172    H    PHE  24           HN       PHE  24 -10.066   7.445  17.894
  173    HA   PHE  24           HA       PHE  24  -8.539   8.238  15.556
  174   1HB   PHE  24           HB2      PHE  24 -10.289   7.157  14.386
  175   2HB   PHE  24           HB1      PHE  24 -10.216   6.306  15.919
  176    HD1  PHE  24           HD1      PHE  24 -12.551   6.693  13.806
  177    HD2  PHE  24           HD2      PHE  24 -11.660   8.492  17.610
  178    HE1  PHE  24           HE1      PHE  24 -14.955   7.194  14.144
  179    HE2  PHE  24           HE2      PHE  24 -14.057   8.981  17.941
  180    HZ   PHE  24           HZ       PHE  24 -15.708   8.336  16.210
  181    H    PHE  25           HN       PHE  25  -8.415  10.608  16.579
  182    HA   PHE  25           HA       PHE  25 -10.743  12.294  16.275
  183   1HB   PHE  25           HB2      PHE  25  -9.039  14.115  16.598
  184   2HB   PHE  25           HB1      PHE  25  -8.981  12.868  17.839
  185    HD1  PHE  25           HD1      PHE  25  -6.954  11.804  18.321
  186    HD2  PHE  25           HD2      PHE  25  -7.454  13.783  14.548
  187    HE1  PHE  25           HE1      PHE  25  -4.569  11.384  17.787
  188    HE2  PHE  25           HE2      PHE  25  -5.069  13.366  14.009
  189    HZ   PHE  25           HZ       PHE  25  -3.625  12.166  15.631
  190    H    TYR  26           HN       TYR  26  -8.233  11.165  14.143
  191    HA   TYR  26           HA       TYR  26  -7.747  11.623  11.883
  192   1HB   TYR  26           HB2      TYR  26 -10.002  10.504  11.982
  193   2HB   TYR  26           HB1      TYR  26 -10.734  12.106  11.865
  194    HD1  TYR  26           HD1      TYR  26 -10.919  13.220   9.772
  195    HD2  TYR  26           HD2      TYR  26  -8.411   9.755  10.152
  196    HE1  TYR  26           HE1      TYR  26 -10.593  13.184   7.313
  197    HE2  TYR  26           HE2      TYR  26  -8.089   9.717   7.695
  198    HH   TYR  26           HH       TYR  26  -9.939  11.061   5.580
  199    H    THR  27           HN       THR  27  -6.724  13.763  12.704
  200    HA   THR  27           HA       THR  27  -7.974  15.989  11.191
  201    HB   THR  27           HB       THR  27  -7.419  17.489  13.144
  202    HG1  THR  27           HG1      THR  27  -7.113  16.348  15.137
  203   1HG2  THR  27          HG21      THR  27  -9.242  15.376  14.201
  204   2HG2  THR  27          HG22      THR  27  -9.670  16.141  12.671
  205   3HG2  THR  27          HG23      THR  27  -9.472  17.123  14.122
  206    HA   PRO  28           HA       PRO  28  -3.843  16.664   9.865
  207   1HB   PRO  28           HB2      PRO  28  -3.771  19.375   9.480
  208   2HB   PRO  28           HB1      PRO  28  -4.643  18.268   8.404
  209   1HG   PRO  28           HG2      PRO  28  -5.686  20.025  10.560
  210   2HG   PRO  28           HG1      PRO  28  -6.393  19.620   8.989
  211   1HD   PRO  28           HD2      PRO  28  -7.183  18.496  11.356
  212   2HD   PRO  28           HD1      PRO  28  -7.361  17.709   9.774
  213    H    LYS  29           HN       LYS  29  -2.117  18.802  10.355
  214    HA   LYS  29           HA       LYS  29  -1.128  18.228  12.971
  215   1HB   LYS  29           HB2      LYS  29   0.510  19.974  12.416
  216   2HB   LYS  29           HB1      LYS  29   0.212  18.956  11.008
  217   1HG   LYS  29           HG2      LYS  29  -1.455  20.669  10.210
  218   2HG   LYS  29           HG1      LYS  29  -0.953  21.708  11.545
  219   1HD   LYS  29           HD2      LYS  29   1.420  21.503  10.679
  220   2HD   LYS  29           HD1      LYS  29   0.755  20.711   9.251
  221   1HE   LYS  29           HE2      LYS  29  -0.833  22.986   9.493
  222   2HE   LYS  29           HE1      LYS  29   0.787  23.562   9.933
  223   1HZ   LYS  29           HZ1      LYS  29   1.610  22.273   7.958
  224   2HZ   LYS  29           HZ2      LYS  29   0.673  23.640   7.586
  225   3HZ   LYS  29           HZ3      LYS  29  -0.009  22.088   7.484
  226    H    THR  30           HN       THR  30  -3.431  20.593  11.835
  227    HA   THR  30           HA       THR  30  -4.646  22.274  12.951
  228    HB   THR  30           HB       THR  30  -3.823  20.787  15.445
  229    HG1  THR  30           HG1      THR  30  -5.791  20.053  13.546
  230   1HG2  THR  30          HG21      THR  30  -6.627  21.412  15.141
  231   2HG2  THR  30          HG22      THR  30  -5.657  22.866  14.904
  232   3HG2  THR  30          HG23      THR  30  -5.507  21.940  16.396
  233    H    ARG  31           HN       ARG  31  -3.088  23.972  12.493
  234    HA   ARG  31           HA       ARG  31  -1.806  25.064  14.906
  235   1HB   ARG  31           HB2      ARG  31  -0.338  24.242  12.385
  236   2HB   ARG  31           HB1      ARG  31   0.355  25.327  13.585
  237   1HG   ARG  31           HG2      ARG  31   0.042  23.540  15.312
  238   2HG   ARG  31           HG1      ARG  31  -0.503  22.455  14.032
  239   1HD   ARG  31           HD2      ARG  31   1.872  22.054  14.377
  240   2HD   ARG  31           HD1      ARG  31   1.693  22.916  12.836
  241    HE   ARG  31           HE       ARG  31   2.451  24.945  13.914
  242   1HH1  ARG  31          HH11      ARG  31   1.563  22.805  16.394
  243   2HH1  ARG  31          HH12      ARG  31   2.856  23.250  17.457
  244   1HH2  ARG  31          HH21      ARG  31   4.443  25.267  15.127
  245   2HH2  ARG  31          HH22      ARG  31   4.480  24.642  16.742
  246    H    ARG  32           HN       ARG  32  -2.100  25.387  11.371
  247    HA   ARG  32           HA       ARG  32  -1.724  28.190  11.179
  248   1HB   ARG  32           HB2      ARG  32  -3.329  26.201   9.541
  249   2HB   ARG  32           HB1      ARG  32  -2.949  27.836   8.996
  250   1HG   ARG  32           HG2      ARG  32  -0.579  27.392   9.068
  251   2HG   ARG  32           HG1      ARG  32  -0.842  25.836   9.855
  252   1HD   ARG  32           HD2      ARG  32  -0.433  25.377   7.515
  253   2HD   ARG  32           HD1      ARG  32  -2.175  25.158   7.773
  254    HE   ARG  32           HE       ARG  32  -0.947  27.616   6.590
  255   1HH1  ARG  32          HH11      ARG  32  -2.821  25.261   5.466
  256   2HH1  ARG  32          HH12      ARG  32  -4.249  26.199   5.180
  257   1HH2  ARG  32          HH21      ARG  32  -3.124  28.946   6.972
  258   2HH2  ARG  32          HH22      ARG  32  -4.421  28.284   6.034
  259    H    TYR  33           HN       TYR  33  -4.762  26.315  11.447
  260    HA   TYR  33           HA       TYR  33  -6.076  28.511  12.885
  261   1HB   TYR  33           HB2      TYR  33  -6.033  28.997  10.371
  262   2HB   TYR  33           HB1      TYR  33  -7.146  27.652  10.221
  263    HD1  TYR  33           HD1      TYR  33  -6.804  31.139  10.978
  264    HD2  TYR  33           HD2      TYR  33  -9.325  27.717  11.600
  265    HE1  TYR  33           HE1      TYR  33  -8.689  32.637  11.569
  266    HE2  TYR  33           HE2      TYR  33 -11.211  29.216  12.194
  267    HH   TYR  33           HH       TYR  33 -11.165  32.552  11.583
  268    HA   PRO  34           HA       PRO  34  -8.091  24.839  14.414
  269   1HB   PRO  34           HB2      PRO  34 -10.148  26.001  15.795
  270   2HB   PRO  34           HB1      PRO  34  -8.474  25.976  16.387
  271   1HG   PRO  34           HG2      PRO  34  -9.966  28.165  15.022
  272   2HG   PRO  34           HG1      PRO  34  -8.843  28.249  16.389
  273   1HD   PRO  34           HD2      PRO  34  -8.124  28.902  13.859
  274   2HD   PRO  34           HD1      PRO  34  -6.985  28.217  15.039
  275    H    GLY  35           HN       GLY  35  -8.933  23.940  12.463
  276   1HA   GLY  35           HA2      GLY  35 -10.779  23.090  11.249
  277   2HA   GLY  35           HA1      GLY  35 -11.826  24.214  12.114
  278    H    ASP  36           HN       ASP  36 -11.047  26.652  11.528
  279    HA   ASP  36           HA       ASP  36 -11.136  28.313   9.856
  280   1HB   ASP  36           HB2      ASP  36  -8.868  27.070   9.613
  281   2HB   ASP  36           HB1      ASP  36  -9.596  26.380   8.174
  282    H    VAL  37           HN       VAL  37 -13.376  26.559   9.881
  283    HA   VAL  37           HA       VAL  37 -15.208  25.906   8.547
  284    HB   VAL  37           HB       VAL  37 -13.839  27.959   6.772
  285   1HG1  VAL  37          HG11      VAL  37 -16.689  26.919   6.706
  286   2HG1  VAL  37          HG12      VAL  37 -15.449  26.586   5.499
  287   3HG1  VAL  37          HG13      VAL  37 -16.050  28.230   5.714
  288   1HG2  VAL  37          HG21      VAL  37 -16.301  28.666   8.222
  289   2HG2  VAL  37          HG22      VAL  37 -14.782  29.550   8.086
  290   3HG2  VAL  37          HG23      VAL  37 -14.950  28.269   9.285
  291    H    LYS  38           HN       LYS  38 -13.158  26.470   5.694
  292    HA   LYS  38           HA       LYS  38 -13.572  23.708   4.798
  293   1HB   LYS  38           HB2      LYS  38 -12.496  26.287   3.784
  294   2HB   LYS  38           HB1      LYS  38 -11.807  24.835   3.059
  295   1HG   LYS  38           HG2      LYS  38 -13.630  25.096   1.675
  296   2HG   LYS  38           HG1      LYS  38 -14.380  24.127   2.943
  297   1HD   LYS  38           HD2      LYS  38 -15.665  25.853   3.679
  298   2HD   LYS  38           HD1      LYS  38 -14.373  27.035   3.471
  299   1HE   LYS  38           HE2      LYS  38 -14.779  26.857   0.954
  300   2HE   LYS  38           HE1      LYS  38 -16.258  25.959   1.354
  301   1HZ   LYS  38           HZ1      LYS  38 -16.742  28.314   1.226
  302   2HZ   LYS  38           HZ2      LYS  38 -15.520  28.661   2.355
  303   3HZ   LYS  38           HZ3      LYS  38 -16.898  27.787   2.831
  304    H    ARG  39           HN       ARG  39 -12.283  22.130   5.723
  305    HA   ARG  39           HA       ARG  39  -9.764  22.666   6.992
  306   1HB   ARG  39           HB2      ARG  39 -11.287  20.797   7.564
  307   2HB   ARG  39           HB1      ARG  39 -10.995  20.083   5.977
  308   1HG   ARG  39           HG2      ARG  39  -8.728  19.613   6.482
  309   2HG   ARG  39           HG1      ARG  39  -8.722  20.710   7.859
  310   1HD   ARG  39           HD2      ARG  39  -8.827  18.334   8.595
  311   2HD   ARG  39           HD1      ARG  39 -10.293  19.212   9.063
  312    HE   ARG  39           HE       ARG  39 -10.652  18.086   6.446
  313   1HH1  ARG  39          HH11      ARG  39 -11.901  17.936   9.463
  314   2HH1  ARG  39          HH12      ARG  39 -12.239  16.237   9.477
  315   1HH2  ARG  39          HH21      ARG  39 -10.439  15.582   6.590
  316   2HH2  ARG  39          HH22      ARG  39 -11.416  14.908   7.851
  317    H    GLY  40           HN       GLY  40 -10.711  21.437   3.807
  318   1HA   GLY  40           HA2      GLY  40  -9.349  22.064   1.853
  319   2HA   GLY  40           HA1      GLY  40  -7.920  21.945   2.877
  320    H    ILE  41           HN       ILE  41  -8.232  19.513   4.101
  321    HA   ILE  41           HA       ILE  41  -7.479  17.674   2.010
  322    HB   ILE  41           HB       ILE  41  -6.671  17.688   4.375
  323   1HG1  ILE  41          HG12      ILE  41  -8.037  15.074   3.697
  324   2HG1  ILE  41          HG11      ILE  41  -6.586  15.648   2.872
  325   1HG2  ILE  41          HG21      ILE  41  -9.283  16.365   5.109
  326   2HG2  ILE  41          HG22      ILE  41  -9.042  18.101   5.285
  327   3HG2  ILE  41          HG23      ILE  41  -8.024  16.978   6.182
  328   1HD1  ILE  41          HD11      ILE  41  -5.254  15.425   4.763
  329   2HD1  ILE  41          HD12      ILE  41  -6.371  14.078   4.987
  330   3HD1  ILE  41          HD13      ILE  41  -6.618  15.585   5.869
  331    H    VAL  42           HN       VAL  42 -10.447  18.097   3.911
  332    HA   VAL  42           HA       VAL  42 -11.839  15.794   2.930
  333    HB   VAL  42           HB       VAL  42 -12.416  17.124   4.950
  334   1HG1  VAL  42          HG11      VAL  42 -13.465  19.187   2.990
  335   2HG1  VAL  42          HG12      VAL  42 -11.964  19.366   3.898
  336   3HG1  VAL  42          HG13      VAL  42 -13.505  19.283   4.751
  337   1HG2  VAL  42          HG21      VAL  42 -14.838  17.067   4.643
  338   2HG2  VAL  42          HG22      VAL  42 -14.114  15.688   3.815
  339   3HG2  VAL  42          HG23      VAL  42 -14.643  17.093   2.890
  340    H    GLU  43           HN       GLU  43 -11.703  19.155   1.752
  341    HA   GLU  43           HA       GLU  43 -13.676  18.872  -0.302
  342   1HB   GLU  43           HB2      GLU  43 -11.302  20.708   0.104
  343   2HB   GLU  43           HB1      GLU  43 -12.473  20.931  -1.194
  344   1HG   GLU  43           HG2      GLU  43 -13.246  20.760   1.729
  345   2HG   GLU  43           HG1      GLU  43 -12.944  22.282   0.894
  346    H    GLN  44           HN       GLN  44 -10.139  18.454  -0.319
  347    HA   GLN  44           HA       GLN  44  -9.769  18.113  -3.120
  348   1HB   GLN  44           HB2      GLN  44  -7.985  18.482  -1.460
  349   2HB   GLN  44           HB1      GLN  44  -8.298  16.894  -0.761
  350   1HG   GLN  44           HG2      GLN  44  -7.701  15.825  -2.902
  351   2HG   GLN  44           HG1      GLN  44  -7.396  17.411  -3.611
  352   1HE2  GLN  44          HE21      GLN  44  -5.390  15.271  -3.265
  353   2HE2  GLN  44          HE22      GLN  44  -4.191  15.895  -2.238
  354    H    CYS  45           HN       CYS  45 -10.389  15.628  -0.599
  355    HA   CYS  45           HA       CYS  45 -10.448  13.476  -2.586
  356   1HB   CYS  45           HB2      CYS  45 -11.151  13.597   0.361
  357   2HB   CYS  45           HB1      CYS  45 -10.986  12.113  -0.574
  358    H    CYS  46           HN       CYS  46 -12.841  15.525  -1.017
  359    HA   CYS  46           HA       CYS  46 -15.158  13.882  -1.480
  360   1HB   CYS  46           HB2      CYS  46 -14.492  16.702  -0.849
  361   2HB   CYS  46           HB1      CYS  46 -16.057  16.462  -1.622
  362    H    THR  47           HN       THR  47 -13.506  16.326  -3.457
  363    HA   THR  47           HA       THR  47 -15.422  16.128  -5.668
  364    HB   THR  47           HB       THR  47 -13.532  17.564  -6.728
  365    HG1  THR  47           HG1      THR  47 -11.801  17.257  -5.528
  366   1HG2  THR  47          HG21      THR  47 -14.440  19.477  -5.735
  367   2HG2  THR  47          HG22      THR  47 -14.588  18.705  -4.156
  368   3HG2  THR  47          HG23      THR  47 -15.700  18.276  -5.456
  369    H    SER  48           HN       SER  48 -12.064  15.060  -5.073
  370    HA   SER  48           HA       SER  48 -12.348  13.199  -7.408
  371   1HB   SER  48           HB2      SER  48 -10.078  14.959  -6.471
  372   2HB   SER  48           HB1      SER  48  -9.789  13.586  -7.535
  373    HG   SER  48           HG       SER  48 -11.223  15.958  -7.988
  374    H    ILE  49           HN       ILE  49 -10.958  11.248  -7.207
  375    HA   ILE  49           HA       ILE  49 -11.175  10.097  -4.539
  376    HB   ILE  49           HB       ILE  49 -10.030   9.071  -7.154
  377   1HG1  ILE  49          HG12      ILE  49 -12.738   8.557  -5.888
  378   2HG1  ILE  49          HG11      ILE  49 -12.462   9.788  -7.121
  379   1HG2  ILE  49          HG21      ILE  49 -10.060   6.897  -6.229
  380   2HG2  ILE  49          HG22      ILE  49 -11.072   7.391  -4.872
  381   3HG2  ILE  49          HG23      ILE  49  -9.380   7.883  -4.936
  382   1HD1  ILE  49          HD11      ILE  49 -11.317   7.714  -8.372
  383   2HD1  ILE  49          HD12      ILE  49 -13.045   8.042  -8.501
  384   3HD1  ILE  49          HD13      ILE  49 -12.461   6.818  -7.373
  385    H    CYS  50           HN       CYS  50  -9.578   9.746  -3.072
  386    HA   CYS  50           HA       CYS  50  -6.829  10.742  -3.709
  387   1HB   CYS  50           HB2      CYS  50  -8.436  10.356  -1.166
  388   2HB   CYS  50           HB1      CYS  50  -6.720  10.760  -1.151
  389    H    SER  51           HN       SER  51  -5.036   9.448  -2.680
  390    HA   SER  51           HA       SER  51  -5.387   6.590  -3.194
  391   1HB   SER  51           HB2      SER  51  -3.009   6.549  -2.889
  392   2HB   SER  51           HB1      SER  51  -3.363   8.090  -3.663
  393    HG   SER  51           HG       SER  51  -2.604   9.041  -1.961
  394    H    LEU  52           HN       LEU  52  -5.722   5.015  -1.663
  395    HA   LEU  52           HA       LEU  52  -6.674   5.607   0.932
  396   1HB   LEU  52           HB2      LEU  52  -7.151   3.553  -0.341
  397   2HB   LEU  52           HB1      LEU  52  -5.466   3.058  -0.186
  398    HG   LEU  52           HG       LEU  52  -5.712   3.016   2.280
  399   1HD1  LEU  52          HD11      LEU  52  -8.161   3.075   3.103
  400   2HD1  LEU  52          HD12      LEU  52  -8.518   3.893   1.582
  401   3HD1  LEU  52          HD13      LEU  52  -7.398   4.622   2.733
  402   1HD2  LEU  52          HD21      LEU  52  -6.154   0.969   0.954
  403   2HD2  LEU  52          HD22      LEU  52  -7.852   1.428   0.825
  404   3HD2  LEU  52          HD23      LEU  52  -7.164   1.030   2.399
  405    H    TYR  53           HN       TYR  53  -3.387   5.057  -0.205
  406    HA   TYR  53           HA       TYR  53  -2.114   4.378   2.245
  407   1HB   TYR  53           HB2      TYR  53  -1.125   4.298  -0.030
  408   2HB   TYR  53           HB1      TYR  53  -1.097   6.055  -0.041
  409    HD1  TYR  53           HD1      TYR  53   0.395   7.316   1.488
  410    HD2  TYR  53           HD2      TYR  53   0.454   3.025   1.293
  411    HE1  TYR  53           HE1      TYR  53   2.570   7.290   2.682
  412    HE2  TYR  53           HE2      TYR  53   2.627   3.000   2.488
  413    HH   TYR  53           HH       TYR  53   4.612   4.781   2.728
  414    H    GLN  54           HN       GLN  54  -2.828   7.582   0.837
  415    HA   GLN  54           HA       GLN  54  -1.583   9.101   2.964
  416   1HB   GLN  54           HB2      GLN  54  -3.697   9.697   0.869
  417   2HB   GLN  54           HB1      GLN  54  -3.023  10.934   1.931
  418   1HG   GLN  54           HG2      GLN  54  -0.757  10.425   1.097
  419   2HG   GLN  54           HG1      GLN  54  -1.425   9.184   0.037
  420   1HE2  GLN  54          HE21      GLN  54   0.008  11.538  -0.924
  421   2HE2  GLN  54          HE22      GLN  54  -1.088  12.460  -1.834
  422    H    LEU  55           HN       LEU  55  -4.901   7.962   2.342
  423    HA   LEU  55           HA       LEU  55  -6.222   9.256   4.519
  424   1HB   LEU  55           HB2      LEU  55  -6.694   6.572   3.175
  425   2HB   LEU  55           HB1      LEU  55  -7.871   7.407   4.185
  426    HG   LEU  55           HG       LEU  55  -6.670   8.534   1.637
  427   1HD1  LEU  55          HD11      LEU  55  -8.121   6.996   0.742
  428   2HD1  LEU  55          HD12      LEU  55  -9.304   8.249   1.117
  429   3HD1  LEU  55          HD13      LEU  55  -9.082   6.889   2.217
  430   1HD2  LEU  55          HD21      LEU  55  -8.731   9.519   3.618
  431   2HD2  LEU  55          HD22      LEU  55  -8.676  10.123   1.962
  432   3HD2  LEU  55          HD23      LEU  55  -7.294  10.356   3.031
  433    H    GLU  56           HN       GLU  56  -4.593   6.109   4.294
  434    HA   GLU  56           HA       GLU  56  -5.143   5.133   6.911
  435   1HB   GLU  56           HB2      GLU  56  -2.865   4.730   4.957
  436   2HB   GLU  56           HB1      GLU  56  -3.045   3.771   6.426
  437   1HG   GLU  56           HG2      GLU  56  -5.175   2.918   5.704
  438   2HG   GLU  56           HG1      GLU  56  -5.232   4.042   4.348
  439    H    ASN  57           HN       ASN  57  -2.470   7.175   5.718
  440    HA   ASN  57           HA       ASN  57  -0.907   7.171   8.117
  441   1HB   ASN  57           HB2      ASN  57  -0.415   7.998   5.704
  442   2HB   ASN  57           HB1      ASN  57  -1.162   9.509   6.225
  443   1HD2  ASN  57          HD21      ASN  57   0.372  10.978   6.963
  444   2HD2  ASN  57          HD22      ASN  57   1.805  10.571   7.777
  445    H    TYR  58           HN       TYR  58  -3.530   9.351   7.042
  446    HA   TYR  58           HA       TYR  58  -3.381  11.240   9.175
  447   1HB   TYR  58           HB2      TYR  58  -5.630  10.182   7.453
  448   2HB   TYR  58           HB1      TYR  58  -5.848  11.517   8.580
  449    HD1  TYR  58           HD1      TYR  58  -3.838  13.348   8.419
  450    HD2  TYR  58           HD2      TYR  58  -5.142  10.751   5.258
  451    HE1  TYR  58           HE1      TYR  58  -2.885  14.908   6.742
  452    HE2  TYR  58           HE2      TYR  58  -4.190  12.307   3.582
  453    HH   TYR  58           HH       TYR  58  -2.589  14.059   3.395
  454    H    CYS  59           HN       CYS  59  -5.124   8.144   8.939
  455    HA   CYS  59           HA       CYS  59  -6.219   8.430  11.670
  456   1HB   CYS  59           HB2      CYS  59  -7.329   7.450   9.532
  457   2HB   CYS  59           HB1      CYS  59  -6.364   6.013   9.869
  458    H    ASN  60           HN       ASN  60  -3.297   7.328  10.326
  459    HA   ASN  60           HA       ASN  60  -2.811   4.967  11.918
  460   1HB   ASN  60           HB2      ASN  60  -1.238   6.932  10.300
  461   2HB   ASN  60           HB1      ASN  60  -0.349   5.862  11.381
  462   1HD2  ASN  60          HD21      ASN  60   0.110   5.482   8.687
  463   2HD2  ASN  60          HD22      ASN  60  -0.658   4.072   8.138
  Start of MODEL    7
    1   1H    PHE   1           HT1      PHE   1 -20.429  -3.597  -4.995
    2   2H    PHE   1           HT2      PHE   1 -19.024  -3.309  -4.085
    3   3H    PHE   1           HT3      PHE   1 -19.062  -4.577  -5.216
    4    HA   PHE   1           HA       PHE   1 -17.818  -2.715  -6.126
    5   1HB   PHE   1           HB2      PHE   1 -19.234  -4.241  -7.503
    6   2HB   PHE   1           HB1      PHE   1 -20.580  -3.116  -7.323
    7    HD1  PHE   1           HD1      PHE   1 -17.291  -3.678  -8.874
    8    HD2  PHE   1           HD2      PHE   1 -20.567  -0.936  -8.432
    9    HE1  PHE   1           HE1      PHE   1 -16.432  -2.345 -10.780
   10    HE2  PHE   1           HE2      PHE   1 -19.708   0.397 -10.338
   11    HZ   PHE   1           HZ       PHE   1 -17.641  -0.307 -11.513
   12    H    VAL   2           HN       VAL   2 -17.738  -0.828  -4.751
   13    HA   VAL   2           HA       VAL   2 -19.879   1.162  -5.264
   14    HB   VAL   2           HB       VAL   2 -19.532   1.872  -2.912
   15   1HG1  VAL   2          HG11      VAL   2 -20.680   0.011  -1.889
   16   2HG1  VAL   2          HG12      VAL   2 -20.046  -1.104  -3.099
   17   3HG1  VAL   2          HG13      VAL   2 -21.229   0.120  -3.562
   18   1HG2  VAL   2          HG21      VAL   2 -18.106   0.654  -1.426
   19   2HG2  VAL   2          HG22      VAL   2 -17.135   0.982  -2.861
   20   3HG2  VAL   2          HG23      VAL   2 -17.839  -0.616  -2.620
   21    H    ASN   3           HN       ASN   3 -19.138   3.410  -5.103
   22    HA   ASN   3           HA       ASN   3 -16.238   3.959  -5.078
   23   1HB   ASN   3           HB2      ASN   3 -18.025   4.077  -7.516
   24   2HB   ASN   3           HB1      ASN   3 -16.575   5.073  -7.406
   25   1HD2  ASN   3          HD21      ASN   3 -17.284   2.588  -9.113
   26   2HD2  ASN   3          HD22      ASN   3 -15.966   1.546  -8.871
   27    H    GLN   4           HN       GLN   4 -18.277   4.809  -3.351
   28    HA   GLN   4           HA       GLN   4 -19.303   7.435  -4.146
   29   1HB   GLN   4           HB2      GLN   4 -19.160   6.075  -1.441
   30   2HB   GLN   4           HB1      GLN   4 -20.206   7.421  -1.870
   31   1HG   GLN   4           HG2      GLN   4 -20.304   4.666  -3.139
   32   2HG   GLN   4           HG1      GLN   4 -21.436   5.271  -1.931
   33   1HE2  GLN   4          HE21      GLN   4 -21.691   4.561  -4.963
   34   2HE2  GLN   4          HE22      GLN   4 -22.497   5.907  -5.609
   35    H    HIS   5           HN       HIS   5 -18.762   9.402  -2.941
   36    HA   HIS   5           HA       HIS   5 -15.878   9.771  -2.603
   37   1HB   HIS   5           HB2      HIS   5 -18.311  11.544  -2.211
   38   2HB   HIS   5           HB1      HIS   5 -16.646  12.121  -2.147
   39    HD1  HIS   5           HD1      HIS   5 -15.272  12.067  -4.385
   40    HD2  HIS   5           HD2      HIS   5 -19.282  11.011  -4.809
   41    HE1  HIS   5           HE1      HIS   5 -15.766  12.114  -6.869
   42    H    LEU   6           HN       LEU   6 -14.778   9.912  -0.639
   43    HA   LEU   6           HA       LEU   6 -16.193   9.124   1.797
   44   1HB   LEU   6           HB2      LEU   6 -13.376   9.499   0.868
   45   2HB   LEU   6           HB1      LEU   6 -13.684   9.503   2.605
   46    HG   LEU   6           HG       LEU   6 -14.677   7.329   0.746
   47   1HD1  LEU   6          HD11      LEU   6 -12.378   6.991   2.652
   48   2HD1  LEU   6          HD12      LEU   6 -12.087   7.664   1.048
   49   3HD1  LEU   6          HD13      LEU   6 -12.780   6.051   1.215
   50   1HD2  LEU   6          HD21      LEU   6 -14.986   7.984   3.595
   51   2HD2  LEU   6          HD22      LEU   6 -14.403   6.341   3.331
   52   3HD2  LEU   6          HD23      LEU   6 -15.914   6.868   2.593
   53    H    CYS   7           HN       CYS   7 -17.527  11.047   2.036
   54    HA   CYS   7           HA       CYS   7 -16.127  13.259   3.449
   55   1HB   CYS   7           HB2      CYS   7 -17.482  13.332   0.799
   56   2HB   CYS   7           HB1      CYS   7 -17.864  14.659   1.891
   57    H    GLY   8           HN       GLY   8 -18.117  14.898   4.045
   58   1HA   GLY   8           HA2      GLY   8 -19.994  15.161   5.424
   59   2HA   GLY   8           HA1      GLY   8 -20.762  14.016   4.320
   60    H    SER   9           HN       SER   9 -21.821  12.636   5.750
   61    HA   SER   9           HA       SER   9 -20.702  11.818   8.310
   62   1HB   SER   9           HB2      SER   9 -22.736  10.521   8.439
   63   2HB   SER   9           HB1      SER   9 -23.139  12.035   7.633
   64    HG   SER   9           HG       SER   9 -23.983  10.261   6.495
   65    H    HIS  10           HN       HIS  10 -20.547  10.558   5.047
   66    HA   HIS  10           HA       HIS  10 -19.949   7.813   5.637
   67   1HB   HIS  10           HB2      HIS  10 -19.336   9.665   3.322
   68   2HB   HIS  10           HB1      HIS  10 -19.028   7.929   3.272
   69    HD1  HIS  10           HD1      HIS  10 -21.737  10.448   3.051
   70    HD2  HIS  10           HD2      HIS  10 -21.446   6.308   3.438
   71    HE1  HIS  10           HE1      HIS  10 -24.041   9.520   2.558
   72    H    LEU  11           HN       LEU  11 -17.811  10.646   5.178
   73    HA   LEU  11           HA       LEU  11 -15.323   9.257   5.177
   74   1HB   LEU  11           HB2      LEU  11 -15.646  11.608   4.522
   75   2HB   LEU  11           HB1      LEU  11 -16.045  12.027   6.187
   76    HG   LEU  11           HG       LEU  11 -13.782  11.271   6.898
   77   1HD1  LEU  11          HD11      LEU  11 -13.384   9.642   5.087
   78   2HD1  LEU  11          HD12      LEU  11 -12.080  10.826   5.162
   79   3HD1  LEU  11          HD13      LEU  11 -13.320  10.958   3.915
   80   1HD2  LEU  11          HD21      LEU  11 -13.581  13.251   4.615
   81   2HD2  LEU  11          HD22      LEU  11 -12.604  13.196   6.083
   82   3HD2  LEU  11          HD23      LEU  11 -14.304  13.655   6.172
   83    H    VAL  12           HN       VAL  12 -17.114  10.687   7.928
   84    HA   VAL  12           HA       VAL  12 -15.199  10.041   9.951
   85    HB   VAL  12           HB       VAL  12 -18.207  10.452   9.972
   86   1HG1  VAL  12          HG11      VAL  12 -16.236  10.293  12.270
   87   2HG1  VAL  12          HG12      VAL  12 -17.678   9.308  12.026
   88   3HG1  VAL  12          HG13      VAL  12 -17.836  11.021  12.416
   89   1HG2  VAL  12          HG21      VAL  12 -16.792  12.338   9.164
   90   2HG2  VAL  12          HG22      VAL  12 -15.911  12.299  10.692
   91   3HG2  VAL  12          HG23      VAL  12 -17.623  12.721  10.672
   92    H    GLU  13           HN       GLU  13 -18.151   8.308   8.945
   93    HA   GLU  13           HA       GLU  13 -17.959   6.124  10.739
   94   1HB   GLU  13           HB2      GLU  13 -19.928   6.726   9.381
   95   2HB   GLU  13           HB1      GLU  13 -19.061   6.264   7.917
   96   1HG   GLU  13           HG2      GLU  13 -18.870   3.947   8.757
   97   2HG   GLU  13           HG1      GLU  13 -19.736   4.407  10.220
   98    H    ALA  14           HN       ALA  14 -16.736   6.386   7.400
   99    HA   ALA  14           HA       ALA  14 -15.715   3.761   7.144
  100   1HB   ALA  14           HB1      ALA  14 -14.114   5.726   5.739
  101   2HB   ALA  14           HB2      ALA  14 -15.820   6.161   5.675
  102   3HB   ALA  14           HB3      ALA  14 -15.292   4.585   5.093
  103    H    LEU  15           HN       LEU  15 -13.839   6.717   7.984
  104    HA   LEU  15           HA       LEU  15 -11.353   5.405   8.394
  105   1HB   LEU  15           HB2      LEU  15 -12.575   7.929   9.526
  106   2HB   LEU  15           HB1      LEU  15 -10.885   7.490   9.774
  107    HG   LEU  15           HG       LEU  15 -12.187   7.740   7.048
  108   1HD1  LEU  15          HD11      LEU  15 -10.379   9.772   7.194
  109   2HD1  LEU  15          HD12      LEU  15 -10.947   9.731   8.863
  110   3HD1  LEU  15          HD13      LEU  15 -12.096   9.969   7.546
  111   1HD2  LEU  15          HD21      LEU  15  -9.347   7.327   8.021
  112   2HD2  LEU  15          HD22      LEU  15  -9.725   7.843   6.378
  113   3HD2  LEU  15          HD23      LEU  15 -10.286   6.277   6.960
  114    H    TYR  16           HN       TYR  16 -13.893   6.178  10.805
  115    HA   TYR  16           HA       TYR  16 -12.473   5.275  13.098
  116   1HB   TYR  16           HB2      TYR  16 -15.295   5.787  12.304
  117   2HB   TYR  16           HB1      TYR  16 -15.049   4.837  13.771
  118    HD1  TYR  16           HD1      TYR  16 -14.582   5.920  15.793
  119    HD2  TYR  16           HD2      TYR  16 -13.864   7.976  12.090
  120    HE1  TYR  16           HE1      TYR  16 -13.998   7.977  17.049
  121    HE2  TYR  16           HE2      TYR  16 -13.283  10.034  13.346
  122    HH   TYR  16           HH       TYR  16 -13.578  11.041  15.478
  123    H    LEU  17           HN       LEU  17 -14.569   3.418  10.858
  124    HA   LEU  17           HA       LEU  17 -14.513   0.988  12.376
  125   1HB   LEU  17           HB2      LEU  17 -14.980   1.642   9.485
  126   2HB   LEU  17           HB1      LEU  17 -15.202   0.024  10.134
  127    HG   LEU  17           HG       LEU  17 -16.613   2.509  11.149
  128   1HD1  LEU  17          HD11      LEU  17 -18.170   0.333   9.897
  129   2HD1  LEU  17          HD12      LEU  17 -17.121   1.208   8.783
  130   3HD1  LEU  17          HD13      LEU  17 -18.333   2.080   9.721
  131   1HD2  LEU  17          HD21      LEU  17 -16.489  -0.352  11.995
  132   2HD2  LEU  17          HD22      LEU  17 -18.063   0.441  12.068
  133   3HD2  LEU  17          HD23      LEU  17 -16.701   1.100  12.974
  134    H    VAL  18           HN       VAL  18 -12.490   2.199   9.714
  135    HA   VAL  18           HA       VAL  18 -10.902  -0.198   9.445
  136    HB   VAL  18           HB       VAL  18 -10.439   2.677   8.678
  137   1HG1  VAL  18          HG11      VAL  18  -8.307   1.800   8.416
  138   2HG1  VAL  18          HG12      VAL  18  -9.015   1.376   6.858
  139   3HG1  VAL  18          HG13      VAL  18  -8.907   0.166   8.137
  140   1HG2  VAL  18          HG21      VAL  18 -12.477   1.330   7.798
  141   2HG2  VAL  18          HG22      VAL  18 -11.282   0.424   6.870
  142   3HG2  VAL  18          HG23      VAL  18 -11.462   2.161   6.619
  143    H    CYS  19           HN       CYS  19 -10.389   2.876  11.164
  144    HA   CYS  19           HA       CYS  19  -7.757   2.211  12.145
  145   1HB   CYS  19           HB2      CYS  19  -9.863   4.188  12.986
  146   2HB   CYS  19           HB1      CYS  19  -8.223   4.187  13.626
  147    H    GLY  20           HN       GLY  20 -11.027   1.834  13.469
  148   1HA   GLY  20           HA2      GLY  20 -11.801   0.489  15.223
  149   2HA   GLY  20           HA1      GLY  20 -10.228  -0.299  15.212
  150    H    GLU  21           HN       GLU  21  -8.476   0.743  16.424
  151    HA   GLU  21           HA       GLU  21  -9.145   1.546  19.040
  152   1HB   GLU  21           HB2      GLU  21  -6.697   1.967  17.311
  153   2HB   GLU  21           HB1      GLU  21  -6.721   2.354  19.031
  154   1HG   GLU  21           HG2      GLU  21  -7.187   0.064  19.618
  155   2HG   GLU  21           HG1      GLU  21  -7.460  -0.371  17.932
  156    H    ARG  22           HN       ARG  22  -9.174   3.616  20.073
  157    HA   ARG  22           HA       ARG  22  -9.831   5.880  18.282
  158   1HB   ARG  22           HB2      ARG  22 -10.218   5.353  21.240
  159   2HB   ARG  22           HB1      ARG  22 -10.758   6.817  20.419
  160   1HG   ARG  22           HG2      ARG  22 -12.158   5.425  18.907
  161   2HG   ARG  22           HG1      ARG  22 -11.658   3.988  19.801
  162   1HD   ARG  22           HD2      ARG  22 -12.577   5.052  21.899
  163   2HD   ARG  22           HD1      ARG  22 -13.239   6.346  20.881
  164    HE   ARG  22           HE       ARG  22 -14.700   4.726  19.829
  165   1HH1  ARG  22          HH21      ARG  22 -14.346   4.030  22.940
  166   2HH1  ARG  22          HH22      ARG  22 -14.475   2.307  22.828
  167   1HH2  ARG  22          HH11      ARG  22 -14.126   2.240  19.378
  168   2HH2  ARG  22          HH12      ARG  22 -14.350   1.293  20.811
  169    H    GLY  23           HN       GLY  23  -7.021   4.786  19.507
  170   1HA   GLY  23           HA2      GLY  23  -6.056   7.125  20.938
  171   2HA   GLY  23           HA1      GLY  23  -5.080   5.758  20.416
  172    H    PHE  24           HN       PHE  24  -6.644   6.690  17.650
  173    HA   PHE  24           HA       PHE  24  -4.254   7.958  16.581
  174   1HB   PHE  24           HB2      PHE  24  -5.614   8.045  14.509
  175   2HB   PHE  24           HB1      PHE  24  -5.690   6.457  15.266
  176    HD1  PHE  24           HD1      PHE  24  -7.524   9.683  14.902
  177    HD2  PHE  24           HD2      PHE  24  -7.744   5.543  15.981
  178    HE1  PHE  24           HE1      PHE  24  -9.997   9.845  14.993
  179    HE2  PHE  24           HE2      PHE  24 -10.220   5.697  16.086
  180    HZ   PHE  24           HZ       PHE  24 -11.346   7.851  15.590
  181    H    PHE  25           HN       PHE  25  -3.890  10.124  16.197
  182    HA   PHE  25           HA       PHE  25  -5.522  12.074  17.597
  183   1HB   PHE  25           HB2      PHE  25  -3.113  12.279  15.770
  184   2HB   PHE  25           HB1      PHE  25  -3.760  13.619  16.717
  185    HD1  PHE  25           HD1      PHE  25  -1.749  10.598  16.773
  186    HD2  PHE  25           HD2      PHE  25  -3.819  13.449  19.231
  187    HE1  PHE  25           HE1      PHE  25  -0.471   9.821  18.752
  188    HE2  PHE  25           HE2      PHE  25  -2.541  12.672  21.209
  189    HZ   PHE  25           HZ       PHE  25  -0.867  10.858  20.969
  190    H    TYR  26           HN       TYR  26  -4.863  11.304  14.179
  191    HA   TYR  26           HA       TYR  26  -5.885  12.064  12.184
  192   1HB   TYR  26           HB2      TYR  26  -7.714  10.816  13.319
  193   2HB   TYR  26           HB1      TYR  26  -8.220  12.306  14.114
  194    HD1  TYR  26           HD1      TYR  26  -7.303  11.186  10.645
  195    HD2  TYR  26           HD2      TYR  26 -10.015  13.413  13.123
  196    HE1  TYR  26           HE1      TYR  26  -8.633  11.793   8.643
  197    HE2  TYR  26           HE2      TYR  26 -11.346  14.020  11.120
  198    HH   TYR  26           HH       TYR  26 -11.416  12.564   8.448
  199    H    THR  27           HN       THR  27  -4.533  14.066  13.828
  200    HA   THR  27           HA       THR  27  -6.171  16.479  13.806
  201    HB   THR  27           HB       THR  27  -3.886  17.428  14.529
  202    HG1  THR  27           HG1      THR  27  -2.287  16.023  14.780
  203   1HG2  THR  27          HG21      THR  27  -5.611  16.870  16.150
  204   2HG2  THR  27          HG22      THR  27  -4.055  16.299  16.753
  205   3HG2  THR  27          HG23      THR  27  -5.199  15.158  16.046
  206    HA   PRO  28           HA       PRO  28  -4.840  17.263   9.550
  207   1HB   PRO  28           HB2      PRO  28  -6.304  19.552   9.188
  208   2HB   PRO  28           HB1      PRO  28  -7.007  17.929   9.059
  209   1HG   PRO  28           HG2      PRO  28  -7.118  19.867  11.313
  210   2HG   PRO  28           HG1      PRO  28  -8.370  18.784  10.690
  211   1HD   PRO  28           HD2      PRO  28  -6.927  18.262  12.934
  212   2HD   PRO  28           HD1      PRO  28  -7.615  16.995  11.894
  213    H    LYS  29           HN       LYS  29  -4.467  19.940   8.706
  214    HA   LYS  29           HA       LYS  29  -1.932  20.584   9.856
  215   1HB   LYS  29           HB2      LYS  29  -2.943  21.125   7.553
  216   2HB   LYS  29           HB1      LYS  29  -3.770  22.460   8.354
  217   1HG   LYS  29           HG2      LYS  29  -1.776  23.429   7.528
  218   2HG   LYS  29           HG1      LYS  29  -1.435  23.128   9.233
  219   1HD   LYS  29           HD2      LYS  29   0.033  21.416   8.784
  220   2HD   LYS  29           HD1      LYS  29  -0.823  20.926   7.322
  221   1HE   LYS  29           HE2      LYS  29   0.088  22.814   6.085
  222   2HE   LYS  29           HE1      LYS  29   0.839  23.460   7.559
  223   1HZ   LYS  29           HZ1      LYS  29   1.393  20.812   6.325
  224   2HZ   LYS  29           HZ2      LYS  29   2.056  21.365   7.787
  225   3HZ   LYS  29           HZ3      LYS  29   2.440  22.146   6.329
  226    H    THR  30           HN       THR  30  -4.973  22.463   9.985
  227    HA   THR  30           HA       THR  30  -5.630  24.207  11.452
  228    HB   THR  30           HB       THR  30  -6.445  22.102  12.401
  229    HG1  THR  30           HG1      THR  30  -7.068  23.188  14.071
  230   1HG2  THR  30          HG21      THR  30  -3.734  22.075  13.733
  231   2HG2  THR  30          HG22      THR  30  -4.471  20.818  12.741
  232   3HG2  THR  30          HG23      THR  30  -5.097  21.146  14.357
  233    H    ARG  31           HN       ARG  31  -2.824  24.623  10.836
  234    HA   ARG  31           HA       ARG  31  -1.408  25.108  13.337
  235   1HB   ARG  31           HB2      ARG  31  -0.940  25.708  10.415
  236   2HB   ARG  31           HB1      ARG  31   0.174  26.274  11.660
  237   1HG   ARG  31           HG2      ARG  31   0.431  23.925  12.453
  238   2HG   ARG  31           HG1      ARG  31  -0.608  23.390  11.131
  239   1HD   ARG  31           HD2      ARG  31   1.023  24.472   9.519
  240   2HD   ARG  31           HD1      ARG  31   2.108  24.727  10.900
  241    HE   ARG  31           HE       ARG  31   1.056  21.984  10.397
  242   1HH1  ARG  31          HH21      ARG  31   3.613  24.043   9.532
  243   2HH1  ARG  31          HH22      ARG  31   4.865  22.922   9.952
  244   1HH2  ARG  31          HH11      ARG  31   2.705  20.618  11.376
  245   2HH2  ARG  31          HH12      ARG  31   4.352  20.990  10.993
  246    H    ARG  32           HN       ARG  32  -2.184  27.413  10.716
  247    HA   ARG  32           HA       ARG  32  -2.150  29.694  12.471
  248   1HB   ARG  32           HB2      ARG  32  -3.137  29.189   9.654
  249   2HB   ARG  32           HB1      ARG  32  -3.128  30.790  10.392
  250   1HG   ARG  32           HG2      ARG  32  -0.705  30.644  10.746
  251   2HG   ARG  32           HG1      ARG  32  -0.690  29.010  10.084
  252   1HD   ARG  32           HD2      ARG  32   0.015  30.546   8.327
  253   2HD   ARG  32           HD1      ARG  32  -1.616  29.977   7.923
  254    HE   ARG  32           HE       ARG  32  -2.243  32.174   9.342
  255   1HH1  ARG  32          HH11      ARG  32   0.834  32.617   8.545
  256   2HH1  ARG  32          HH12      ARG  32   0.604  33.831   7.331
  257   1HH2  ARG  32          HH21      ARG  32  -2.820  33.332   7.105
  258   2HH2  ARG  32          HH22      ARG  32  -1.465  34.235   6.516
  259    H    TYR  33           HN       TYR  33  -4.756  27.723  11.057
  260    HA   TYR  33           HA       TYR  33  -6.611  28.653  13.164
  261   1HB   TYR  33           HB2      TYR  33  -6.519  30.209  11.074
  262   2HB   TYR  33           HB1      TYR  33  -7.411  28.909  10.293
  263    HD1  TYR  33           HD1      TYR  33  -7.463  31.190  13.240
  264    HD2  TYR  33           HD2      TYR  33  -9.732  28.630  10.643
  265    HE1  TYR  33           HE1      TYR  33  -9.564  31.987  14.290
  266    HE2  TYR  33           HE2      TYR  33 -11.833  29.426  11.693
  267    HH   TYR  33           HH       TYR  33 -12.282  31.996  13.182
  268    HA   PRO  34           HA       PRO  34  -7.909  24.453  12.561
  269   1HB   PRO  34           HB2      PRO  34 -10.334  24.527  13.834
  270   2HB   PRO  34           HB1      PRO  34  -8.783  24.484  14.698
  271   1HG   PRO  34           HG2      PRO  34 -10.577  26.792  14.144
  272   2HG   PRO  34           HG1      PRO  34  -9.627  26.420  15.590
  273   1HD   PRO  34           HD2      PRO  34  -8.863  28.257  13.731
  274   2HD   PRO  34           HD1      PRO  34  -7.717  27.348  14.739
  275    H    GLY  35           HN       GLY  35 -10.593  26.796  12.175
  276   1HA   GLY  35           HA2      GLY  35 -11.980  27.171  10.304
  277   2HA   GLY  35           HA1      GLY  35 -10.997  26.023   9.397
  278    H    ASP  36           HN       ASP  36 -13.939  26.478  11.070
  279    HA   ASP  36           HA       ASP  36 -14.545  23.676  11.625
  280   1HB   ASP  36           HB2      ASP  36 -16.165  26.234  11.418
  281   2HB   ASP  36           HB1      ASP  36 -16.868  24.691  11.900
  282    H    VAL  37           HN       VAL  37 -16.074  22.386  10.402
  283    HA   VAL  37           HA       VAL  37 -17.065  21.497   8.468
  284    HB   VAL  37           HB       VAL  37 -17.029  24.390   7.542
  285   1HG1  VAL  37          HG11      VAL  37 -17.542  23.056   5.667
  286   2HG1  VAL  37          HG12      VAL  37 -19.124  23.495   6.313
  287   3HG1  VAL  37          HG13      VAL  37 -18.453  21.896   6.635
  288   1HG2  VAL  37          HG21      VAL  37 -18.244  23.506   9.811
  289   2HG2  VAL  37          HG22      VAL  37 -19.497  23.144   8.626
  290   3HG2  VAL  37          HG23      VAL  37 -18.900  24.794   8.803
  291    H    LYS  38           HN       LYS  38 -14.966  24.151   7.260
  292    HA   LYS  38           HA       LYS  38 -13.812  22.434   5.187
  293   1HB   LYS  38           HB2      LYS  38 -14.215  24.863   4.903
  294   2HB   LYS  38           HB1      LYS  38 -13.106  25.203   6.231
  295   1HG   LYS  38           HG2      LYS  38 -11.959  25.501   4.081
  296   2HG   LYS  38           HG1      LYS  38 -11.268  24.134   4.953
  297   1HD   LYS  38           HD2      LYS  38 -12.607  22.573   3.614
  298   2HD   LYS  38           HD1      LYS  38 -13.358  23.925   2.766
  299   1HE   LYS  38           HE2      LYS  38 -10.355  23.655   2.801
  300   2HE   LYS  38           HE1      LYS  38 -11.328  22.748   1.627
  301   1HZ   LYS  38           HZ1      LYS  38 -12.313  24.728   0.835
  302   2HZ   LYS  38           HZ2      LYS  38 -10.646  25.047   0.907
  303   3HZ   LYS  38           HZ3      LYS  38 -11.682  25.654   2.109
  304    H    ARG  39           HN       ARG  39 -11.546  21.807   5.168
  305    HA   ARG  39           HA       ARG  39  -9.998  22.097   7.661
  306   1HB   ARG  39           HB2      ARG  39 -10.817  19.416   6.494
  307   2HB   ARG  39           HB1      ARG  39  -9.785  19.645   7.903
  308   1HG   ARG  39           HG2      ARG  39 -11.722  20.918   8.965
  309   2HG   ARG  39           HG1      ARG  39 -12.720  20.339   7.633
  310   1HD   ARG  39           HD2      ARG  39 -13.045  18.750   9.392
  311   2HD   ARG  39           HD1      ARG  39 -11.894  17.972   8.286
  312    HE   ARG  39           HE       ARG  39 -10.107  19.072   9.833
  313   1HH1  ARG  39          HH11      ARG  39 -11.532  16.470  10.735
  314   2HH1  ARG  39          HH12      ARG  39 -11.825  16.842  12.402
  315   1HH2  ARG  39          HH21      ARG  39 -11.211  20.234  12.029
  316   2HH2  ARG  39          HH22      ARG  39 -11.642  18.972  13.134
  317    H    GLY  40           HN       GLY  40 -10.175  20.796   4.355
  318   1HA   GLY  40           HA2      GLY  40  -8.295  21.628   2.864
  319   2HA   GLY  40           HA1      GLY  40  -7.208  21.107   4.153
  320    H    ILE  41           HN       ILE  41  -7.951  18.694   4.870
  321    HA   ILE  41           HA       ILE  41  -7.239  16.988   2.651
  322    HB   ILE  41           HB       ILE  41  -7.556  15.209   4.349
  323   1HG1  ILE  41          HG12      ILE  41  -8.539  17.418   6.181
  324   2HG1  ILE  41          HG11      ILE  41  -9.617  16.282   5.371
  325   1HG2  ILE  41          HG21      ILE  41  -5.530  16.735   4.303
  326   2HG2  ILE  41          HG22      ILE  41  -5.846  15.958   5.854
  327   3HG2  ILE  41          HG23      ILE  41  -6.285  17.649   5.608
  328   1HD1  ILE  41          HD11      ILE  41  -8.951  14.512   6.678
  329   2HD1  ILE  41          HD12      ILE  41  -8.624  15.814   7.822
  330   3HD1  ILE  41          HD13      ILE  41  -7.310  15.131   6.863
  331    H    VAL  42           HN       VAL  42 -10.295  18.061   3.981
  332    HA   VAL  42           HA       VAL  42 -12.020  15.984   3.088
  333    HB   VAL  42           HB       VAL  42 -12.431  18.955   3.373
  334   1HG1  VAL  42          HG11      VAL  42 -14.867  17.951   3.851
  335   2HG1  VAL  42          HG12      VAL  42 -14.294  16.717   2.729
  336   3HG1  VAL  42          HG13      VAL  42 -14.358  18.405   2.224
  337   1HG2  VAL  42          HG21      VAL  42 -11.702  17.306   5.330
  338   2HG2  VAL  42          HG22      VAL  42 -13.421  16.910   5.311
  339   3HG2  VAL  42          HG23      VAL  42 -12.902  18.569   5.606
  340    H    GLU  43           HN       GLU  43 -10.775  18.853   1.394
  341    HA   GLU  43           HA       GLU  43 -12.297  18.704  -0.981
  342   1HB   GLU  43           HB2      GLU  43  -9.447  19.562  -0.427
  343   2HB   GLU  43           HB1      GLU  43 -10.247  19.839  -1.972
  344   1HG   GLU  43           HG2      GLU  43 -12.020  21.122  -0.815
  345   2HG   GLU  43           HG1      GLU  43 -11.196  20.859   0.722
  346    H    GLN  44           HN       GLN  44  -9.322  16.994  -0.067
  347    HA   GLN  44           HA       GLN  44  -8.699  15.821  -2.584
  348   1HB   GLN  44           HB2      GLN  44  -7.284  15.891  -0.523
  349   2HB   GLN  44           HB1      GLN  44  -8.347  14.689   0.211
  350   1HG   GLN  44           HG2      GLN  44  -7.822  13.106  -1.603
  351   2HG   GLN  44           HG1      GLN  44  -6.764  14.306  -2.346
  352   1HE2  GLN  44          HE21      GLN  44  -5.884  11.699  -1.352
  353   2HE2  GLN  44          HE22      GLN  44  -4.779  11.991  -0.097
  354    H    CYS  45           HN       CYS  45 -10.848  14.668   0.035
  355    HA   CYS  45           HA       CYS  45 -11.580  12.255  -1.498
  356   1HB   CYS  45           HB2      CYS  45 -12.628  13.410   1.104
  357   2HB   CYS  45           HB1      CYS  45 -12.935  11.785   0.505
  358    H    CYS  46           HN       CYS  46 -13.082  15.343  -0.532
  359    HA   CYS  46           HA       CYS  46 -15.715  14.781  -1.552
  360   1HB   CYS  46           HB2      CYS  46 -14.111  17.137  -0.680
  361   2HB   CYS  46           HB1      CYS  46 -15.556  17.465  -1.628
  362    H    THR  47           HN       THR  47 -12.942  16.532  -3.023
  363    HA   THR  47           HA       THR  47 -14.306  17.091  -5.520
  364    HB   THR  47           HB       THR  47 -11.357  16.892  -4.800
  365    HG1  THR  47           HG1      THR  47 -11.624  19.179  -4.583
  366   1HG2  THR  47          HG21      THR  47 -12.448  17.111  -7.324
  367   2HG2  THR  47          HG22      THR  47 -10.844  17.680  -6.862
  368   3HG2  THR  47          HG23      THR  47 -12.208  18.798  -6.869
  369    H    SER  48           HN       SER  48 -12.066  14.568  -4.431
  370    HA   SER  48           HA       SER  48 -12.978  12.818  -6.670
  371   1HB   SER  48           HB2      SER  48 -10.113  13.380  -5.826
  372   2HB   SER  48           HB1      SER  48 -10.597  12.211  -7.052
  373    HG   SER  48           HG       SER  48 -10.275  13.954  -8.254
  374    H    ILE  49           HN       ILE  49 -12.743  10.521  -6.104
  375    HA   ILE  49           HA       ILE  49 -13.176   9.943  -3.310
  376    HB   ILE  49           HB       ILE  49 -12.508   8.206  -5.713
  377   1HG1  ILE  49          HG12      ILE  49 -15.172   8.738  -4.371
  378   2HG1  ILE  49          HG11      ILE  49 -14.596   9.657  -5.761
  379   1HG2  ILE  49          HG21      ILE  49 -13.302   6.320  -4.442
  380   2HG2  ILE  49          HG22      ILE  49 -13.807   7.358  -3.108
  381   3HG2  ILE  49          HG23      ILE  49 -12.092   7.130  -3.447
  382   1HD1  ILE  49          HD11      ILE  49 -14.242   7.313  -6.856
  383   2HD1  ILE  49          HD12      ILE  49 -15.877   7.966  -6.763
  384   3HD1  ILE  49          HD13      ILE  49 -15.348   6.747  -5.605
  385    H    CYS  50           HN       CYS  50 -11.666   9.658  -1.737
  386    HA   CYS  50           HA       CYS  50  -8.829   9.879  -2.261
  387   1HB   CYS  50           HB2      CYS  50 -10.634   9.375   0.086
  388   2HB   CYS  50           HB1      CYS  50  -8.897   9.135   0.281
  389    H    SER  51           HN       SER  51  -7.278   8.264  -2.381
  390    HA   SER  51           HA       SER  51  -8.179   5.546  -2.964
  391   1HB   SER  51           HB2      SER  51  -5.853   5.242  -3.566
  392   2HB   SER  51           HB1      SER  51  -6.348   6.839  -4.119
  393    HG   SER  51           HG       SER  51  -4.290   6.543  -2.825
  394    H    LEU  52           HN       LEU  52  -7.349   3.654  -1.860
  395    HA   LEU  52           HA       LEU  52  -7.652   3.636   0.958
  396   1HB   LEU  52           HB2      LEU  52  -7.954   1.705  -0.552
  397   2HB   LEU  52           HB1      LEU  52  -6.227   1.707  -0.903
  398    HG   LEU  52           HG       LEU  52  -5.842   1.410   1.598
  399   1HD1  LEU  52          HD11      LEU  52  -8.080   0.170   2.490
  400   2HD1  LEU  52          HD12      LEU  52  -8.809   1.392   1.447
  401   3HD1  LEU  52          HD13      LEU  52  -7.751   1.880   2.771
  402   1HD2  LEU  52          HD21      LEU  52  -5.616  -0.461   0.029
  403   2HD2  LEU  52          HD22      LEU  52  -7.357  -0.740   0.080
  404   3HD2  LEU  52          HD23      LEU  52  -6.375  -1.022   1.518
  405    H    TYR  53           HN       TYR  53  -4.716   3.732  -1.049
  406    HA   TYR  53           HA       TYR  53  -2.762   3.361   0.969
  407   1HB   TYR  53           HB2      TYR  53  -2.428   3.356  -1.494
  408   2HB   TYR  53           HB1      TYR  53  -2.663   5.097  -1.489
  409    HD1  TYR  53           HD1      TYR  53  -1.054   6.578  -0.237
  410    HD2  TYR  53           HD2      TYR  53  -0.346   2.385  -0.845
  411    HE1  TYR  53           HE1      TYR  53   1.343   6.903   0.310
  412    HE2  TYR  53           HE2      TYR  53   2.051   2.710  -0.296
  413    HH   TYR  53           HH       TYR  53   3.705   4.661  -0.382
  414    H    GLN  54           HN       GLN  54  -4.275   6.386  -0.185
  415    HA   GLN  54           HA       GLN  54  -2.724   8.138   1.509
  416   1HB   GLN  54           HB2      GLN  54  -5.394   8.356   0.090
  417   2HB   GLN  54           HB1      GLN  54  -4.630   9.718   0.911
  418   1HG   GLN  54           HG2      GLN  54  -2.705   9.609  -0.535
  419   2HG   GLN  54           HG1      GLN  54  -3.257   8.089  -1.241
  420   1HE2  GLN  54          HE21      GLN  54  -2.810  10.869  -2.487
  421   2HE2  GLN  54          HE22      GLN  54  -4.272  11.202  -3.283
  422    H    LEU  55           HN       LEU  55  -5.908   6.571   1.877
  423    HA   LEU  55           HA       LEU  55  -6.665   7.838   4.333
  424   1HB   LEU  55           HB2      LEU  55  -7.292   5.122   3.129
  425   2HB   LEU  55           HB1      LEU  55  -8.173   5.829   4.483
  426    HG   LEU  55           HG       LEU  55  -7.859   7.198   1.800
  427   1HD1  LEU  55          HD11      LEU  55  -9.281   4.912   2.138
  428   2HD1  LEU  55          HD12      LEU  55  -9.764   6.195   1.029
  429   3HD1  LEU  55          HD13      LEU  55 -10.488   6.099   2.635
  430   1HD2  LEU  55          HD21      LEU  55  -8.315   8.718   3.655
  431   2HD2  LEU  55          HD22      LEU  55  -9.637   7.691   4.210
  432   3HD2  LEU  55          HD23      LEU  55  -9.772   8.551   2.676
  433    H    GLU  56           HN       GLU  56  -4.853   4.855   3.663
  434    HA   GLU  56           HA       GLU  56  -4.568   3.919   6.343
  435   1HB   GLU  56           HB2      GLU  56  -2.906   3.651   3.829
  436   2HB   GLU  56           HB1      GLU  56  -2.539   2.760   5.307
  437   1HG   GLU  56           HG2      GLU  56  -5.247   2.691   3.950
  438   2HG   GLU  56           HG1      GLU  56  -3.982   1.499   3.652
  439    H    ASN  57           HN       ASN  57  -2.561   6.159   4.433
  440    HA   ASN  57           HA       ASN  57  -0.410   6.415   6.311
  441   1HB   ASN  57           HB2      ASN  57  -0.542   7.120   3.871
  442   2HB   ASN  57           HB1      ASN  57  -1.485   8.512   4.403
  443   1HD2  ASN  57          HD21      ASN  57   0.568   9.601   3.358
  444   2HD2  ASN  57          HD22      ASN  57   1.866   9.906   4.409
  445    H    TYR  58           HN       TYR  58  -3.424   8.280   5.917
  446    HA   TYR  58           HA       TYR  58  -2.915  10.272   7.895
  447   1HB   TYR  58           HB2      TYR  58  -5.386   9.031   6.698
  448   2HB   TYR  58           HB1      TYR  58  -5.487  10.332   7.882
  449    HD1  TYR  58           HD1      TYR  58  -3.528  12.233   7.354
  450    HD2  TYR  58           HD2      TYR  58  -5.565   9.760   4.493
  451    HE1  TYR  58           HE1      TYR  58  -3.040  13.890   5.575
  452    HE2  TYR  58           HE2      TYR  58  -5.076  11.417   2.713
  453    HH   TYR  58           HH       TYR  58  -3.189  13.260   2.388
  454    H    CYS  59           HN       CYS  59  -4.444   7.051   8.220
  455    HA   CYS  59           HA       CYS  59  -4.929   7.494  11.100
  456   1HB   CYS  59           HB2      CYS  59  -6.514   6.320   9.559
  457   2HB   CYS  59           HB1      CYS  59  -5.313   5.047   9.346
  458    H    ASN  60           HN       ASN  60  -2.209   6.620   9.342
  459    HA   ASN  60           HA       ASN  60  -1.220   4.376  10.883
  460   1HB   ASN  60           HB2      ASN  60  -0.125   6.438   8.996
  461   2HB   ASN  60           HB1      ASN  60   1.007   5.440   9.907
  462   1HD2  ASN  60          HD21      ASN  60   0.898   5.143   7.107
  463   2HD2  ASN  60          HD22      ASN  60   0.198   3.646   6.723
  Start of MODEL    8
    1   1H    PHE   1           HT1      PHE   1 -18.095  -3.599  -2.883
    2   2H    PHE   1           HT2      PHE   1 -17.777  -4.860  -3.977
    3   3H    PHE   1           HT3      PHE   1 -19.261  -4.033  -4.035
    4    HA   PHE   1           HA       PHE   1 -16.580  -2.964  -4.753
    5   1HB   PHE   1           HB2      PHE   1 -17.797  -4.468  -6.332
    6   2HB   PHE   1           HB1      PHE   1 -19.179  -3.374  -6.268
    7    HD1  PHE   1           HD1      PHE   1 -15.660  -3.736  -7.345
    8    HD2  PHE   1           HD2      PHE   1 -19.155  -1.241  -7.402
    9    HE1  PHE   1           HE1      PHE   1 -14.623  -2.326  -9.101
   10    HE2  PHE   1           HE2      PHE   1 -18.118   0.171  -9.158
   11    HZ   PHE   1           HZ       PHE   1 -15.852  -0.372 -10.007
   12    H    VAL   2           HN       VAL   2 -16.394  -0.856  -4.100
   13    HA   VAL   2           HA       VAL   2 -18.823   0.849  -4.098
   14    HB   VAL   2           HB       VAL   2 -17.877   1.879  -2.049
   15   1HG1  VAL   2          HG11      VAL   2 -18.431   0.076  -0.553
   16   2HG1  VAL   2          HG12      VAL   2 -18.033  -1.130  -1.778
   17   3HG1  VAL   2          HG13      VAL   2 -19.451  -0.100  -1.982
   18   1HG2  VAL   2          HG21      VAL   2 -15.853  -0.373  -2.142
   19   2HG2  VAL   2          HG22      VAL   2 -15.941   0.932  -0.959
   20   3HG2  VAL   2          HG23      VAL   2 -15.486   1.283  -2.627
   21    H    ASN   3           HN       ASN   3 -18.370   3.147  -4.369
   22    HA   ASN   3           HA       ASN   3 -15.706   4.023  -5.240
   23   1HB   ASN   3           HB2      ASN   3 -18.014   3.456  -7.090
   24   2HB   ASN   3           HB1      ASN   3 -16.889   4.754  -7.486
   25   1HD2  ASN   3          HD21      ASN   3 -14.420   3.860  -6.939
   26   2HD2  ASN   3          HD22      ASN   3 -14.080   2.382  -7.703
   27    H    GLN   4           HN       GLN   4 -17.508   4.766  -3.164
   28    HA   GLN   4           HA       GLN   4 -18.965   7.187  -3.951
   29   1HB   GLN   4           HB2      GLN   4 -18.214   6.095  -1.223
   30   2HB   GLN   4           HB1      GLN   4 -19.472   7.276  -1.555
   31   1HG   GLN   4           HG2      GLN   4 -19.489   4.488  -2.738
   32   2HG   GLN   4           HG1      GLN   4 -20.298   4.896  -1.225
   33   1HE2  GLN   4          HE21      GLN   4 -21.505   7.301  -1.685
   34   2HE2  GLN   4          HE22      GLN   4 -22.567   7.216  -3.006
   35    H    HIS   5           HN       HIS   5 -18.442   9.298  -3.091
   36    HA   HIS   5           HA       HIS   5 -15.579   9.925  -3.163
   37   1HB   HIS   5           HB2      HIS   5 -18.166  11.463  -2.860
   38   2HB   HIS   5           HB1      HIS   5 -16.600  12.264  -2.744
   39    HD1  HIS   5           HD1      HIS   5 -15.040  12.118  -4.899
   40    HD2  HIS   5           HD2      HIS   5 -18.968  10.846  -5.474
   41    HE1  HIS   5           HE1      HIS   5 -15.408  12.041  -7.403
   42    H    LEU   6           HN       LEU   6 -14.291  10.131  -1.354
   43    HA   LEU   6           HA       LEU   6 -15.342   9.594   1.290
   44   1HB   LEU   6           HB2      LEU   6 -12.696  10.322   0.060
   45   2HB   LEU   6           HB1      LEU   6 -12.868  10.300   1.815
   46    HG   LEU   6           HG       LEU   6 -13.801   7.967   0.154
   47   1HD1  LEU   6          HD11      LEU   6 -11.002   8.702   0.974
   48   2HD1  LEU   6          HD12      LEU   6 -11.567   8.007  -0.545
   49   3HD1  LEU   6          HD13      LEU   6 -11.480   7.006   0.904
   50   1HD2  LEU   6          HD21      LEU   6 -12.964   8.438   3.024
   51   2HD2  LEU   6          HD22      LEU   6 -13.143   6.818   2.351
   52   3HD2  LEU   6          HD23      LEU   6 -14.534   7.899   2.428
   53    H    CYS   7           HN       CYS   7 -16.934  11.489   1.009
   54    HA   CYS   7           HA       CYS   7 -15.820  13.876   2.381
   55   1HB   CYS   7           HB2      CYS   7 -16.403  13.679  -0.429
   56   2HB   CYS   7           HB1      CYS   7 -17.603  14.745   0.294
   57    H    GLY   8           HN       GLY   8 -17.891  15.442   2.670
   58   1HA   GLY   8           HA2      GLY   8 -19.920  15.713   3.804
   59   2HA   GLY   8           HA1      GLY   8 -20.526  14.475   2.700
   60    H    SER   9           HN       SER   9 -21.712  13.191   4.138
   61    HA   SER   9           HA       SER   9 -20.792  12.548   6.823
   62   1HB   SER   9           HB2      SER   9 -22.953  11.370   5.051
   63   2HB   SER   9           HB1      SER   9 -22.806  11.098   6.785
   64    HG   SER   9           HG       SER   9 -23.224  13.567   5.442
   65    H    HIS  10           HN       HIS  10 -20.548  10.979   3.678
   66    HA   HIS  10           HA       HIS  10 -19.933   8.322   4.507
   67   1HB   HIS  10           HB2      HIS  10 -20.501   9.061   2.207
   68   2HB   HIS  10           HB1      HIS  10 -18.951   9.896   2.103
   69    HD1  HIS  10           HD1      HIS  10 -20.177   6.362   2.899
   70    HD2  HIS  10           HD2      HIS  10 -16.983   8.284   1.032
   71    HE1  HIS  10           HE1      HIS  10 -18.689   4.537   1.967
   72    H    LEU  11           HN       LEU  11 -17.840  11.170   4.118
   73    HA   LEU  11           HA       LEU  11 -15.303   9.893   4.335
   74   1HB   LEU  11           HB2      LEU  11 -15.706  12.220   3.649
   75   2HB   LEU  11           HB1      LEU  11 -16.255  12.618   5.269
   76    HG   LEU  11           HG       LEU  11 -13.827  13.225   4.614
   77   1HD1  LEU  11          HD11      LEU  11 -13.333  13.310   6.836
   78   2HD1  LEU  11          HD12      LEU  11 -13.732  11.612   7.098
   79   3HD1  LEU  11          HD13      LEU  11 -15.018  12.815   6.995
   80   1HD2  LEU  11          HD21      LEU  11 -13.410  10.287   5.246
   81   2HD2  LEU  11          HD22      LEU  11 -12.150  11.478   4.923
   82   3HD2  LEU  11          HD23      LEU  11 -13.259  10.999   3.639
   83    H    VAL  12           HN       VAL  12 -17.462  11.149   6.899
   84    HA   VAL  12           HA       VAL  12 -15.702  10.589   9.106
   85    HB   VAL  12           HB       VAL  12 -18.729  10.750   8.880
   86   1HG1  VAL  12          HG11      VAL  12 -18.452   9.835  11.000
   87   2HG1  VAL  12          HG12      VAL  12 -18.311  11.555  11.366
   88   3HG1  VAL  12          HG13      VAL  12 -16.860  10.562  11.218
   89   1HG2  VAL  12          HG21      VAL  12 -18.525  13.052   9.168
   90   2HG2  VAL  12          HG22      VAL  12 -17.093  12.711   8.196
   91   3HG2  VAL  12          HG23      VAL  12 -16.945  12.917   9.941
   92    H    GLU  13           HN       GLU  13 -18.414   8.738   7.704
   93    HA   GLU  13           HA       GLU  13 -18.266   6.461   9.395
   94   1HB   GLU  13           HB2      GLU  13 -19.135   6.872   6.520
   95   2HB   GLU  13           HB1      GLU  13 -19.405   5.365   7.393
   96   1HG   GLU  13           HG2      GLU  13 -20.401   8.090   8.282
   97   2HG   GLU  13           HG1      GLU  13 -21.387   6.861   7.490
   98    H    ALA  14           HN       ALA  14 -16.611   7.226   6.357
   99    HA   ALA  14           HA       ALA  14 -15.333   4.740   5.889
  100   1HB   ALA  14           HB1      ALA  14 -13.764   6.176   4.554
  101   2HB   ALA  14           HB2      ALA  14 -14.509   7.595   5.289
  102   3HB   ALA  14           HB3      ALA  14 -15.463   6.537   4.250
  103    H    LEU  15           HN       LEU  15 -14.189   7.584   7.745
  104    HA   LEU  15           HA       LEU  15 -11.597   6.596   8.387
  105   1HB   LEU  15           HB2      LEU  15 -13.518   8.460   9.802
  106   2HB   LEU  15           HB1      LEU  15 -11.851   8.223  10.329
  107    HG   LEU  15           HG       LEU  15 -12.630   9.070   7.525
  108   1HD1  LEU  15          HD11      LEU  15 -13.269  10.853   9.013
  109   2HD1  LEU  15          HD12      LEU  15 -11.730  11.313   8.284
  110   3HD1  LEU  15          HD13      LEU  15 -11.773  10.694   9.934
  111   1HD2  LEU  15          HD21      LEU  15  -9.971   9.805   8.359
  112   2HD2  LEU  15          HD22      LEU  15 -10.449   8.727   7.050
  113   3HD2  LEU  15          HD23      LEU  15 -10.204   8.085   8.673
  114    H    TYR  16           HN       TYR  16 -14.706   6.197  10.117
  115    HA   TYR  16           HA       TYR  16 -13.580   4.739  12.345
  116   1HB   TYR  16           HB2      TYR  16 -16.336   5.017  11.128
  117   2HB   TYR  16           HB1      TYR  16 -16.048   4.047  12.573
  118    HD1  TYR  16           HD1      TYR  16 -14.363   5.341  14.311
  119    HD2  TYR  16           HD2      TYR  16 -17.074   7.188  11.538
  120    HE1  TYR  16           HE1      TYR  16 -14.396   7.388  15.709
  121    HE2  TYR  16           HE2      TYR  16 -17.106   9.237  12.937
  122    HH   TYR  16           HH       TYR  16 -16.624   9.632  15.627
  123    H    LEU  17           HN       LEU  17 -15.019   3.724   9.248
  124    HA   LEU  17           HA       LEU  17 -14.997   0.917   9.759
  125   1HB   LEU  17           HB2      LEU  17 -14.968   2.609   7.285
  126   2HB   LEU  17           HB1      LEU  17 -15.120   0.857   7.218
  127    HG   LEU  17           HG       LEU  17 -16.951   2.629   8.857
  128   1HD1  LEU  17          HD11      LEU  17 -17.759   1.306   6.283
  129   2HD1  LEU  17          HD12      LEU  17 -16.953   2.875   6.237
  130   3HD1  LEU  17          HD13      LEU  17 -18.483   2.694   7.096
  131   1HD2  LEU  17          HD21      LEU  17 -18.317   0.352   8.315
  132   2HD2  LEU  17          HD22      LEU  17 -17.296   0.538   9.741
  133   3HD2  LEU  17          HD23      LEU  17 -16.671  -0.282   8.311
  134    H    VAL  18           HN       VAL  18 -12.608   2.988   8.062
  135    HA   VAL  18           HA       VAL  18 -10.787   0.789   7.538
  136    HB   VAL  18           HB       VAL  18 -10.448   3.782   7.517
  137   1HG1  VAL  18          HG11      VAL  18  -8.348   2.170   7.555
  138   2HG1  VAL  18          HG12      VAL  18  -8.404   3.523   6.429
  139   3HG1  VAL  18          HG13      VAL  18  -8.798   1.897   5.873
  140   1HG2  VAL  18          HG21      VAL  18 -10.943   3.644   5.163
  141   2HG2  VAL  18          HG22      VAL  18 -12.219   2.773   6.014
  142   3HG2  VAL  18          HG23      VAL  18 -10.925   1.881   5.214
  143    H    CYS  19           HN       CYS  19 -10.501   3.616   9.709
  144    HA   CYS  19           HA       CYS  19  -8.224   2.515  11.131
  145   1HB   CYS  19           HB2      CYS  19 -10.138   4.747  11.803
  146   2HB   CYS  19           HB1      CYS  19  -8.568   4.500  12.555
  147    H    GLY  20           HN       GLY  20 -11.573   3.188  12.204
  148   1HA   GLY  20           HA2      GLY  20 -12.909   2.138  13.807
  149   2HA   GLY  20           HA1      GLY  20 -12.017   0.673  13.412
  150    H    GLU  21           HN       GLU  21 -10.293   3.468  14.635
  151    HA   GLU  21           HA       GLU  21 -10.093   2.154  17.300
  152   1HB   GLU  21           HB2      GLU  21  -7.923   3.182  15.459
  153   2HB   GLU  21           HB1      GLU  21  -7.632   2.796  17.155
  154   1HG   GLU  21           HG2      GLU  21  -8.421   0.489  16.773
  155   2HG   GLU  21           HG1      GLU  21  -8.714   0.867  15.078
  156    H    ARG  22           HN       ARG  22  -9.553   3.651  19.054
  157    HA   ARG  22           HA       ARG  22 -10.373   6.444  18.479
  158   1HB   ARG  22           HB2      ARG  22 -10.233   4.743  20.974
  159   2HB   ARG  22           HB1      ARG  22 -10.676   6.449  20.996
  160   1HG   ARG  22           HG2      ARG  22 -12.555   5.976  19.461
  161   2HG   ARG  22           HG1      ARG  22 -12.120   4.265  19.466
  162   1HD   ARG  22           HD2      ARG  22 -12.371   4.341  22.015
  163   2HD   ARG  22           HD1      ARG  22 -13.137   5.925  21.788
  164    HE   ARG  22           HE       ARG  22 -14.145   3.446  20.440
  165   1HH1  ARG  22          HH11      ARG  22 -15.313   4.466  23.090
  166   2HH1  ARG  22          HH12      ARG  22 -16.702   5.327  22.519
  167   1HH2  ARG  22          HH21      ARG  22 -15.617   5.426  19.227
  168   2HH2  ARG  22          HH22      ARG  22 -16.875   5.871  20.331
  169    H    GLY  23           HN       GLY  23  -7.508   4.733  18.849
  170   1HA   GLY  23           HA2      GLY  23  -6.017   6.263  20.705
  171   2HA   GLY  23           HA1      GLY  23  -5.320   5.367  19.360
  172    H    PHE  24           HN       PHE  24  -6.429   6.769  17.178
  173    HA   PHE  24           HA       PHE  24  -4.721   9.137  17.213
  174   1HB   PHE  24           HB2      PHE  24  -5.245   9.224  14.849
  175   2HB   PHE  24           HB1      PHE  24  -4.984   7.543  15.299
  176    HD1  PHE  24           HD1      PHE  24  -7.491  10.062  14.308
  177    HD2  PHE  24           HD2      PHE  24  -6.835   5.944  15.343
  178    HE1  PHE  24           HE1      PHE  24  -9.733   9.480  13.414
  179    HE2  PHE  24           HE2      PHE  24  -9.075   5.367  14.453
  180    HZ   PHE  24           HZ       PHE  24 -10.523   7.133  13.489
  181    H    PHE  25           HN       PHE  25  -5.323  11.186  17.651
  182    HA   PHE  25           HA       PHE  25  -8.099  11.855  18.262
  183   1HB   PHE  25           HB2      PHE  25  -5.560  13.511  18.126
  184   2HB   PHE  25           HB1      PHE  25  -7.081  14.040  18.840
  185    HD1  PHE  25           HD1      PHE  25  -8.056  12.610  20.763
  186    HD2  PHE  25           HD2      PHE  25  -3.990  12.337  19.409
  187    HE1  PHE  25           HE1      PHE  25  -7.408  11.569  22.919
  188    HE2  PHE  25           HE2      PHE  25  -3.341  11.294  21.563
  189    HZ   PHE  25           HZ       PHE  25  -5.051  10.910  23.318
  190    H    TYR  26           HN       TYR  26  -5.849  12.230  15.601
  191    HA   TYR  26           HA       TYR  26  -6.094  13.142  13.449
  192   1HB   TYR  26           HB2      TYR  26  -8.453  11.890  14.056
  193   2HB   TYR  26           HB1      TYR  26  -9.022  13.534  13.762
  194    HD1  TYR  26           HD1      TYR  26  -8.570  10.513  12.176
  195    HD2  TYR  26           HD2      TYR  26  -7.582  14.662  11.681
  196    HE1  TYR  26           HE1      TYR  26  -8.326  10.163   9.732
  197    HE2  TYR  26           HE2      TYR  26  -7.335  14.319   9.242
  198    HH   TYR  26           HH       TYR  26  -8.396  12.490   7.527
  199    H    THR  27           HN       THR  27  -5.051  14.999  14.762
  200    HA   THR  27           HA       THR  27  -6.631  17.450  14.321
  201    HB   THR  27           HB       THR  27  -5.362  16.643  16.952
  202    HG1  THR  27           HG1      THR  27  -8.094  17.008  16.306
  203   1HG2  THR  27          HG21      THR  27  -5.470  19.143  16.226
  204   2HG2  THR  27          HG22      THR  27  -6.051  18.700  17.831
  205   3HG2  THR  27          HG23      THR  27  -7.201  18.982  16.523
  206    HA   PRO  28           HA       PRO  28  -2.444  18.494  13.035
  207   1HB   PRO  28           HB2      PRO  28  -2.928  21.092  12.312
  208   2HB   PRO  28           HB1      PRO  28  -3.364  19.708  11.290
  209   1HG   PRO  28           HG2      PRO  28  -5.078  21.329  13.109
  210   2HG   PRO  28           HG1      PRO  28  -5.436  20.685  11.498
  211   1HD   PRO  28           HD2      PRO  28  -6.339  19.528  13.778
  212   2HD   PRO  28           HD1      PRO  28  -5.976  18.606  12.303
  213    H    LYS  29           HN       LYS  29  -0.818  20.249  13.721
  214    HA   LYS  29           HA       LYS  29  -0.870  20.613  16.571
  215   1HB   LYS  29           HB2      LYS  29   0.860  21.591  14.303
  216   2HB   LYS  29           HB1      LYS  29   1.204  22.019  15.980
  217   1HG   LYS  29           HG2      LYS  29   0.774  19.151  15.147
  218   2HG   LYS  29           HG1      LYS  29   2.364  19.912  15.048
  219   1HD   LYS  29           HD2      LYS  29   2.291  20.457  17.429
  220   2HD   LYS  29           HD1      LYS  29   0.662  19.793  17.555
  221   1HE   LYS  29           HE2      LYS  29   1.402  17.586  17.365
  222   2HE   LYS  29           HE1      LYS  29   2.883  18.053  16.505
  223   1HZ   LYS  29           HZ1      LYS  29   3.778  19.007  18.457
  224   2HZ   LYS  29           HZ2      LYS  29   3.188  17.483  18.921
  225   3HZ   LYS  29           HZ3      LYS  29   2.307  18.887  19.293
  226    H    THR  30           HN       THR  30  -1.262  22.954  13.884
  227    HA   THR  30           HA       THR  30  -2.899  24.672  15.593
  228    HB   THR  30           HB       THR  30  -0.626  25.258  16.292
  229    HG1  THR  30           HG1      THR  30  -2.107  26.960  16.086
  230   1HG2  THR  30          HG21      THR  30   0.156  24.576  13.784
  231   2HG2  THR  30          HG22      THR  30   1.130  25.578  14.859
  232   3HG2  THR  30          HG23      THR  30   0.119  26.331  13.626
  233    H    ARG  31           HN       ARG  31  -2.894  23.274  12.865
  234    HA   ARG  31           HA       ARG  31  -3.010  25.454  10.928
  235   1HB   ARG  31           HB2      ARG  31  -3.615  22.487  10.895
  236   2HB   ARG  31           HB1      ARG  31  -3.722  23.508   9.460
  237   1HG   ARG  31           HG2      ARG  31  -1.358  24.144   9.720
  238   2HG   ARG  31           HG1      ARG  31  -1.241  23.149  11.171
  239   1HD   ARG  31           HD2      ARG  31  -1.876  21.147   9.774
  240   2HD   ARG  31           HD1      ARG  31  -1.762  22.184   8.337
  241    HE   ARG  31           HE       ARG  31   0.571  22.245  10.144
  242   1HH1  ARG  31          HH21      ARG  31   0.161  22.787   7.063
  243   2HH1  ARG  31          HH22      ARG  31   1.151  21.518   6.425
  244   1HH2  ARG  31          HH11      ARG  31   1.385  19.823   9.441
  245   2HH2  ARG  31          HH12      ARG  31   1.844  19.839   7.770
  246    H    ARG  32           HN       ARG  32  -4.837  26.643  10.528
  247    HA   ARG  32           HA       ARG  32  -7.084  27.348  10.578
  248   1HB   ARG  32           HB2      ARG  32  -7.285  24.347  10.233
  249   2HB   ARG  32           HB1      ARG  32  -8.677  25.421  10.092
  250   1HG   ARG  32           HG2      ARG  32  -7.526  26.685   8.313
  251   2HG   ARG  32           HG1      ARG  32  -6.134  25.610   8.451
  252   1HD   ARG  32           HD2      ARG  32  -7.671  23.675   7.905
  253   2HD   ARG  32           HD1      ARG  32  -8.936  24.868   7.549
  254    HE   ARG  32           HE       ARG  32  -6.286  25.111   6.201
  255   1HH1  ARG  32          HH21      ARG  32  -9.235  26.401   5.937
  256   2HH1  ARG  32          HH22      ARG  32  -9.590  25.859   4.331
  257   1HH2  ARG  32          HH11      ARG  32  -6.928  23.640   4.209
  258   2HH2  ARG  32          HH12      ARG  32  -8.284  24.295   3.353
  259    H    TYR  33           HN       TYR  33  -6.065  27.317  13.156
  260    HA   TYR  33           HA       TYR  33  -7.722  25.722  14.962
  261   1HB   TYR  33           HB2      TYR  33  -5.426  27.493  15.036
  262   2HB   TYR  33           HB1      TYR  33  -6.565  27.918  16.309
  263    HD1  TYR  33           HD1      TYR  33  -5.404  24.705  14.739
  264    HD2  TYR  33           HD2      TYR  33  -6.061  26.938  18.349
  265    HE1  TYR  33           HE1      TYR  33  -4.643  22.763  16.080
  266    HE2  TYR  33           HE2      TYR  33  -5.300  24.996  19.690
  267    HH   TYR  33           HH       TYR  33  -3.595  22.473  18.460
  268    HA   PRO  34           HA       PRO  34  -9.964  29.855  15.726
  269   1HB   PRO  34           HB2      PRO  34  -9.361  32.033  14.187
  270   2HB   PRO  34           HB1      PRO  34  -8.511  31.653  15.698
  271   1HG   PRO  34           HG2      PRO  34  -7.658  31.231  12.888
  272   2HG   PRO  34           HG1      PRO  34  -6.698  31.666  14.309
  273   1HD   PRO  34           HD2      PRO  34  -6.817  29.145  13.217
  274   2HD   PRO  34           HD1      PRO  34  -6.363  29.498  14.897
  275    H    GLY  35           HN       GLY  35 -11.173  28.116  14.360
  276   1HA   GLY  35           HA2      GLY  35 -13.190  29.037  12.830
  277   2HA   GLY  35           HA1      GLY  35 -11.893  28.984  11.633
  278    H    ASP  36           HN       ASP  36 -14.241  27.140  13.297
  279    HA   ASP  36           HA       ASP  36 -13.010  24.518  12.892
  280   1HB   ASP  36           HB2      ASP  36 -14.637  25.198  14.699
  281   2HB   ASP  36           HB1      ASP  36 -15.871  25.263  13.451
  282    H    VAL  37           HN       VAL  37 -12.701  24.007  10.718
  283    HA   VAL  37           HA       VAL  37 -15.077  23.712   9.028
  284    HB   VAL  37           HB       VAL  37 -13.940  25.003   7.217
  285   1HG1  VAL  37          HG11      VAL  37 -15.598  26.011   8.878
  286   2HG1  VAL  37          HG12      VAL  37 -14.564  27.149   8.015
  287   3HG1  VAL  37          HG13      VAL  37 -14.195  26.712   9.683
  288   1HG2  VAL  37          HG21      VAL  37 -11.955  25.545   9.429
  289   2HG2  VAL  37          HG22      VAL  37 -12.074  26.550   7.985
  290   3HG2  VAL  37          HG23      VAL  37 -11.634  24.849   7.841
  291    H    LYS  38           HN       LYS  38 -13.689  23.159   6.630
  292    HA   LYS  38           HA       LYS  38 -12.646  20.492   7.177
  293   1HB   LYS  38           HB2      LYS  38 -12.864  22.240   4.709
  294   2HB   LYS  38           HB1      LYS  38 -12.313  20.567   4.665
  295   1HG   LYS  38           HG2      LYS  38 -14.453  19.833   5.650
  296   2HG   LYS  38           HG1      LYS  38 -15.007  21.509   5.690
  297   1HD   LYS  38           HD2      LYS  38 -14.761  21.652   3.238
  298   2HD   LYS  38           HD1      LYS  38 -14.213  19.977   3.196
  299   1HE   LYS  38           HE2      LYS  38 -16.386  19.236   4.125
  300   2HE   LYS  38           HE1      LYS  38 -16.943  20.922   4.144
  301   1HZ   LYS  38           HZ1      LYS  38 -17.504  19.600   2.078
  302   2HZ   LYS  38           HZ2      LYS  38 -15.847  19.637   1.705
  303   3HZ   LYS  38           HZ3      LYS  38 -16.728  21.086   1.822
  304    H    ARG  39           HN       ARG  39 -10.496  19.825   7.115
  305    HA   ARG  39           HA       ARG  39  -8.401  21.754   7.549
  306   1HB   ARG  39           HB2      ARG  39  -8.446  18.780   6.955
  307   2HB   ARG  39           HB1      ARG  39  -6.983  19.658   7.406
  308   1HG   ARG  39           HG2      ARG  39  -8.053  20.358   9.518
  309   2HG   ARG  39           HG1      ARG  39  -9.510  19.469   9.070
  310   1HD   ARG  39           HD2      ARG  39  -8.137  17.367   8.958
  311   2HD   ARG  39           HD1      ARG  39  -6.758  18.292   9.588
  312    HE   ARG  39           HE       ARG  39  -7.834  18.367  11.696
  313   1HH1  ARG  39          HH11      ARG  39  -9.218  15.819  10.621
  314   2HH1  ARG  39          HH12      ARG  39 -10.862  16.157  11.050
  315   1HH2  ARG  39          HH21      ARG  39 -10.291  19.527  11.639
  316   2HH2  ARG  39          HH22      ARG  39 -11.470  18.259  11.627
  317    H    GLY  40           HN       GLY  40  -9.432  19.774   4.814
  318   1HA   GLY  40           HA2      GLY  40  -9.057  21.107   2.600
  319   2HA   GLY  40           HA1      GLY  40  -7.360  21.035   3.086
  320    H    ILE  41           HN       ILE  41  -7.672  18.356   4.293
  321    HA   ILE  41           HA       ILE  41  -7.081  16.744   1.963
  322    HB   ILE  41           HB       ILE  41  -7.710  16.033   4.851
  323   1HG1  ILE  41          HG12      ILE  41  -5.030  16.372   3.477
  324   2HG1  ILE  41          HG11      ILE  41  -5.808  17.650   4.411
  325   1HG2  ILE  41          HG21      ILE  41  -6.485  14.469   2.568
  326   2HG2  ILE  41          HG22      ILE  41  -7.868  14.023   3.567
  327   3HG2  ILE  41          HG23      ILE  41  -6.245  14.018   4.256
  328   1HD1  ILE  41          HD11      ILE  41  -4.947  14.925   5.426
  329   2HD1  ILE  41          HD12      ILE  41  -5.899  16.072   6.368
  330   3HD1  ILE  41          HD13      ILE  41  -4.258  16.486   5.871
  331    H    VAL  42           HN       VAL  42  -9.897  17.049   4.119
  332    HA   VAL  42           HA       VAL  42 -11.497  14.982   2.912
  333    HB   VAL  42           HB       VAL  42 -12.106  17.504   4.452
  334   1HG1  VAL  42          HG11      VAL  42 -13.966  15.284   3.581
  335   2HG1  VAL  42          HG12      VAL  42 -14.129  17.009   3.251
  336   3HG1  VAL  42          HG13      VAL  42 -14.348  16.401   4.892
  337   1HG2  VAL  42          HG21      VAL  42 -10.818  15.522   5.474
  338   2HG2  VAL  42          HG22      VAL  42 -12.345  14.646   5.375
  339   3HG2  VAL  42          HG23      VAL  42 -12.228  16.105   6.359
  340    H    GLU  43           HN       GLU  43 -11.075  18.428   2.338
  341    HA   GLU  43           HA       GLU  43 -13.030  18.850   0.318
  342   1HB   GLU  43           HB2      GLU  43 -11.795  20.605   1.546
  343   2HB   GLU  43           HB1      GLU  43 -10.298  20.100   0.764
  344   1HG   GLU  43           HG2      GLU  43 -11.140  20.732  -1.408
  345   2HG   GLU  43           HG1      GLU  43 -12.741  21.056  -0.747
  346    H    GLN  44           HN       GLN  44  -9.702  17.662   0.173
  347    HA   GLN  44           HA       GLN  44  -9.292  17.697  -2.642
  348   1HB   GLN  44           HB2      GLN  44  -7.580  17.308  -0.889
  349   2HB   GLN  44           HB1      GLN  44  -8.312  15.744  -0.533
  350   1HG   GLN  44           HG2      GLN  44  -7.875  15.024  -2.866
  351   2HG   GLN  44           HG1      GLN  44  -7.097  16.574  -3.184
  352   1HE2  GLN  44          HE21      GLN  44  -6.750  13.503  -1.455
  353   2HE2  GLN  44          HE22      GLN  44  -5.115  13.711  -1.052
  354    H    CYS  45           HN       CYS  45 -10.783  15.205  -0.556
  355    HA   CYS  45           HA       CYS  45 -11.160  13.306  -2.737
  356   1HB   CYS  45           HB2      CYS  45 -12.356  13.524   0.044
  357   2HB   CYS  45           HB1      CYS  45 -12.457  12.100  -0.987
  358    H    CYS  46           HN       CYS  46 -12.902  16.112  -1.698
  359    HA   CYS  46           HA       CYS  46 -15.573  15.286  -2.442
  360   1HB   CYS  46           HB2      CYS  46 -14.107  17.713  -1.647
  361   2HB   CYS  46           HB1      CYS  46 -15.455  18.031  -2.734
  362    H    THR  47           HN       THR  47 -12.939  16.925  -4.211
  363    HA   THR  47           HA       THR  47 -14.509  17.387  -6.617
  364    HB   THR  47           HB       THR  47 -12.188  17.884  -7.519
  365    HG1  THR  47           HG1      THR  47 -10.768  16.756  -6.433
  366   1HG2  THR  47          HG21      THR  47 -13.606  19.180  -5.323
  367   2HG2  THR  47          HG22      THR  47 -12.816  19.898  -6.726
  368   3HG2  THR  47          HG23      THR  47 -11.876  19.520  -5.284
  369    H    SER  48           HN       SER  48 -12.067  14.942  -5.689
  370    HA   SER  48           HA       SER  48 -12.950  13.297  -8.042
  371   1HB   SER  48           HB2      SER  48 -10.625  12.662  -8.319
  372   2HB   SER  48           HB1      SER  48 -10.691  14.419  -8.213
  373    HG   SER  48           HG       SER  48  -9.089  13.243  -6.860
  374    H    ILE  49           HN       ILE  49 -11.251  11.072  -7.227
  375    HA   ILE  49           HA       ILE  49 -12.671  10.224  -4.722
  376    HB   ILE  49           HB       ILE  49 -11.851   8.627  -7.173
  377   1HG1  ILE  49          HG12      ILE  49 -14.621   9.303  -6.144
  378   2HG1  ILE  49          HG11      ILE  49 -13.805  10.221  -7.410
  379   1HG2  ILE  49          HG21      ILE  49 -11.810   7.412  -4.933
  380   2HG2  ILE  49          HG22      ILE  49 -12.901   6.734  -6.142
  381   3HG2  ILE  49          HG23      ILE  49 -13.543   7.723  -4.830
  382   1HD1  ILE  49          HD11      ILE  49 -14.371   7.243  -7.529
  383   2HD1  ILE  49          HD12      ILE  49 -13.654   8.221  -8.810
  384   3HD1  ILE  49          HD13      ILE  49 -15.333   8.481  -8.335
  385    H    CYS  50           HN       CYS  50 -11.296   9.850  -3.068
  386    HA   CYS  50           HA       CYS  50  -8.396   9.655  -3.506
  387   1HB   CYS  50           HB2      CYS  50 -10.218   9.603  -1.076
  388   2HB   CYS  50           HB1      CYS  50  -8.456   9.590  -0.976
  389    H    SER  51           HN       SER  51  -7.202   7.761  -3.369
  390    HA   SER  51           HA       SER  51  -8.623   5.213  -3.521
  391   1HB   SER  51           HB2      SER  51  -6.368   4.368  -3.961
  392   2HB   SER  51           HB1      SER  51  -6.626   5.858  -4.862
  393    HG   SER  51           HG       SER  51  -5.358   6.936  -3.460
  394    H    LEU  52           HN       LEU  52  -8.070   3.365  -2.135
  395    HA   LEU  52           HA       LEU  52  -8.410   3.795   0.637
  396   1HB   LEU  52           HB2      LEU  52  -8.842   1.712  -0.693
  397   2HB   LEU  52           HB1      LEU  52  -7.101   1.441  -0.760
  398    HG   LEU  52           HG       LEU  52  -8.194   1.946   1.949
  399   1HD1  LEU  52          HD11      LEU  52  -8.897  -0.512   2.076
  400   2HD1  LEU  52          HD12      LEU  52  -8.925  -0.491   0.313
  401   3HD1  LEU  52          HD13      LEU  52 -10.002   0.567   1.224
  402   1HD2  LEU  52          HD21      LEU  52  -5.835   1.354   1.527
  403   2HD2  LEU  52          HD22      LEU  52  -6.346  -0.149   0.758
  404   3HD2  LEU  52          HD23      LEU  52  -6.630   0.101   2.481
  405    H    TYR  53           HN       TYR  53  -5.472   3.553  -1.292
  406    HA   TYR  53           HA       TYR  53  -3.543   3.167   0.763
  407   1HB   TYR  53           HB2      TYR  53  -3.146   2.975  -1.653
  408   2HB   TYR  53           HB1      TYR  53  -3.409   4.703  -1.826
  409    HD1  TYR  53           HD1      TYR  53  -1.759   6.323  -1.102
  410    HD2  TYR  53           HD2      TYR  53  -1.115   2.113  -0.547
  411    HE1  TYR  53           HE1      TYR  53   0.627   6.758  -0.597
  412    HE2  TYR  53           HE2      TYR  53   1.275   2.546  -0.040
  413    HH   TYR  53           HH       TYR  53   2.551   5.842   0.225
  414    H    GLN  54           HN       GLN  54  -5.011   6.147  -0.503
  415    HA   GLN  54           HA       GLN  54  -3.412   8.000   1.008
  416   1HB   GLN  54           HB2      GLN  54  -6.188   8.091  -0.210
  417   2HB   GLN  54           HB1      GLN  54  -5.399   9.508   0.485
  418   1HG   GLN  54           HG2      GLN  54  -3.543   9.297  -1.084
  419   2HG   GLN  54           HG1      GLN  54  -4.223   7.805  -1.730
  420   1HE2  GLN  54          HE21      GLN  54  -3.796   9.862  -3.543
  421   2HE2  GLN  54          HE22      GLN  54  -5.273  10.555  -4.010
  422    H    LEU  55           HN       LEU  55  -6.509   6.373   1.678
  423    HA   LEU  55           HA       LEU  55  -7.202   7.707   4.100
  424   1HB   LEU  55           HB2      LEU  55  -7.643   4.883   3.078
  425   2HB   LEU  55           HB1      LEU  55  -8.466   5.541   4.491
  426    HG   LEU  55           HG       LEU  55  -8.538   6.976   1.840
  427   1HD1  LEU  55          HD11      LEU  55 -10.944   5.440   2.493
  428   2HD1  LEU  55          HD12      LEU  55  -9.550   4.398   2.211
  429   3HD1  LEU  55          HD13      LEU  55 -10.059   5.543   0.972
  430   1HD2  LEU  55          HD21      LEU  55  -9.354   8.385   3.520
  431   2HD2  LEU  55          HD22      LEU  55 -10.028   7.047   4.451
  432   3HD2  LEU  55          HD23      LEU  55 -10.833   7.590   2.979
  433    H    GLU  56           HN       GLU  56  -5.254   4.776   3.548
  434    HA   GLU  56           HA       GLU  56  -4.722   4.090   6.262
  435   1HB   GLU  56           HB2      GLU  56  -3.189   3.743   3.671
  436   2HB   GLU  56           HB1      GLU  56  -2.709   2.965   5.180
  437   1HG   GLU  56           HG2      GLU  56  -4.878   1.834   5.319
  438   2HG   GLU  56           HG1      GLU  56  -5.421   2.653   3.856
  439    H    ASN  57           HN       ASN  57  -2.976   6.255   4.028
  440    HA   ASN  57           HA       ASN  57  -0.763   6.828   5.777
  441   1HB   ASN  57           HB2      ASN  57  -0.894   7.212   3.309
  442   2HB   ASN  57           HB1      ASN  57  -2.027   8.531   3.606
  443   1HD2  ASN  57          HD21      ASN  57   1.347   7.499   4.120
  444   2HD2  ASN  57          HD22      ASN  57   1.949   9.054   4.437
  445    H    TYR  58           HN       TYR  58  -3.856   8.525   5.221
  446    HA   TYR  58           HA       TYR  58  -3.387  10.720   6.999
  447   1HB   TYR  58           HB2      TYR  58  -5.880   9.308   6.029
  448   2HB   TYR  58           HB1      TYR  58  -5.918  10.795   6.971
  449    HD1  TYR  58           HD1      TYR  58  -3.791  12.437   5.966
  450    HD2  TYR  58           HD2      TYR  58  -6.358   9.763   3.793
  451    HE1  TYR  58           HE1      TYR  58  -3.412  13.754   3.898
  452    HE2  TYR  58           HE2      TYR  58  -5.977  11.079   1.726
  453    HH   TYR  58           HH       TYR  58  -5.308  13.351   1.092
  454    H    CYS  59           HN       CYS  59  -4.471   7.417   7.563
  455    HA   CYS  59           HA       CYS  59  -5.278   7.973  10.344
  456   1HB   CYS  59           HB2      CYS  59  -6.312   6.340   8.625
  457   2HB   CYS  59           HB1      CYS  59  -4.944   5.291   8.995
  458    H    ASN  60           HN       ASN  60  -2.297   7.513   8.839
  459    HA   ASN  60           HA       ASN  60  -1.020   5.676  10.684
  460   1HB   ASN  60           HB2      ASN  60  -0.149   7.746   8.678
  461   2HB   ASN  60           HB1      ASN  60   1.046   6.979   9.720
  462   1HD2  ASN  60          HD21      ASN  60   1.290   6.460   7.013
  463   2HD2  ASN  60          HD22      ASN  60   0.793   4.875   6.662
  Start of MODEL    9
    1   1H    PHE   1           HT1      PHE   1 -22.394  -4.723  -6.460
    2   2H    PHE   1           HT2      PHE   1 -22.757  -3.239  -7.202
    3   3H    PHE   1           HT3      PHE   1 -23.086  -3.470  -5.551
    4    HA   PHE   1           HA       PHE   1 -20.757  -3.556  -5.018
    5   1HB   PHE   1           HB2      PHE   1 -20.352  -4.797  -7.210
    6   2HB   PHE   1           HB1      PHE   1 -20.345  -3.221  -8.003
    7    HD1  PHE   1           HD1      PHE   1 -18.520  -5.513  -5.822
    8    HD2  PHE   1           HD2      PHE   1 -18.602  -1.537  -7.446
    9    HE1  PHE   1           HE1      PHE   1 -16.153  -5.194  -5.158
   10    HE2  PHE   1           HE2      PHE   1 -16.233  -1.218  -6.782
   11    HZ   PHE   1           HZ       PHE   1 -15.009  -3.047  -5.639
   12    H    VAL   2           HN       VAL   2 -20.705  -1.535  -4.058
   13    HA   VAL   2           HA       VAL   2 -20.900   0.845  -5.814
   14    HB   VAL   2           HB       VAL   2 -22.173   1.886  -3.964
   15   1HG1  VAL   2          HG11      VAL   2 -24.024   1.112  -4.982
   16   2HG1  VAL   2          HG12      VAL   2 -23.864  -0.440  -4.163
   17   3HG1  VAL   2          HG13      VAL   2 -23.060  -0.172  -5.709
   18   1HG2  VAL   2          HG21      VAL   2 -21.102   0.435  -2.180
   19   2HG2  VAL   2          HG22      VAL   2 -22.173  -0.866  -2.700
   20   3HG2  VAL   2          HG23      VAL   2 -22.850   0.619  -2.030
   21    H    ASN   3           HN       ASN   3 -19.810   2.750  -4.941
   22    HA   ASN   3           HA       ASN   3 -17.938   2.407  -2.685
   23   1HB   ASN   3           HB2      ASN   3 -16.865   1.401  -4.737
   24   2HB   ASN   3           HB1      ASN   3 -16.976   2.983  -5.509
   25   1HD2  ASN   3          HD21      ASN   3 -14.455   1.637  -4.909
   26   2HD2  ASN   3          HD22      ASN   3 -13.627   2.597  -3.781
   27    H    GLN   4           HN       GLN   4 -19.199   4.159  -1.860
   28    HA   GLN   4           HA       GLN   4 -19.523   6.657  -3.336
   29   1HB   GLN   4           HB2      GLN   4 -19.920   5.921  -0.423
   30   2HB   GLN   4           HB1      GLN   4 -20.547   7.369  -1.204
   31   1HG   GLN   4           HG2      GLN   4 -21.880   5.991  -2.742
   32   2HG   GLN   4           HG1      GLN   4 -21.241   4.522  -1.998
   33   1HE2  GLN   4          HE21      GLN   4 -22.744   3.653  -0.576
   34   2HE2  GLN   4          HE22      GLN   4 -23.774   4.550   0.432
   35    H    HIS   5           HN       HIS   5 -18.743   8.722  -2.432
   36    HA   HIS   5           HA       HIS   5 -15.871   8.689  -1.938
   37   1HB   HIS   5           HB2      HIS   5 -17.976  10.878  -1.890
   38   2HB   HIS   5           HB1      HIS   5 -16.238  11.157  -1.888
   39    HD1  HIS   5           HD1      HIS   5 -14.918  10.295  -4.066
   40    HD2  HIS   5           HD2      HIS   5 -19.071  10.406  -4.406
   41    HE1  HIS   5           HE1      HIS   5 -15.438  10.160  -6.541
   42    H    LEU   6           HN       LEU   6 -14.883   9.692  -0.023
   43    HA   LEU   6           HA       LEU   6 -16.274   8.990   2.466
   44   1HB   LEU   6           HB2      LEU   6 -13.494   9.939   1.723
   45   2HB   LEU   6           HB1      LEU   6 -13.978   9.576   3.379
   46    HG   LEU   6           HG       LEU   6 -14.295   7.595   1.123
   47   1HD1  LEU   6          HD11      LEU   6 -12.176   6.767   1.481
   48   2HD1  LEU   6          HD12      LEU   6 -12.138   7.304   3.160
   49   3HD1  LEU   6          HD13      LEU   6 -11.866   8.461   1.858
   50   1HD2  LEU   6          HD21      LEU   6 -14.429   7.485   4.140
   51   2HD2  LEU   6          HD22      LEU   6 -14.265   6.032   3.153
   52   3HD2  LEU   6          HD23      LEU   6 -15.690   7.058   2.985
   53    H    CYS   7           HN       CYS   7 -17.877  10.655   2.540
   54    HA   CYS   7           HA       CYS   7 -16.861  13.328   3.387
   55   1HB   CYS   7           HB2      CYS   7 -18.613  12.614   1.040
   56   2HB   CYS   7           HB1      CYS   7 -18.768  14.191   1.808
   57    H    GLY   8           HN       GLY   8 -19.074  14.668   3.866
   58   1HA   GLY   8           HA2      GLY   8 -20.853  14.889   5.378
   59   2HA   GLY   8           HA1      GLY   8 -21.490  13.450   4.572
   60    H    SER   9           HN       SER   9 -22.230  12.315   6.409
   61    HA   SER   9           HA       SER   9 -20.655  12.093   8.859
   62   1HB   SER   9           HB2      SER   9 -23.074  10.605   7.791
   63   2HB   SER   9           HB1      SER   9 -22.486  10.500   9.448
   64    HG   SER   9           HG       SER   9 -23.000  12.608   9.764
   65    H    HIS  10           HN       HIS  10 -20.893  10.286   5.878
   66    HA   HIS  10           HA       HIS  10 -19.964   7.730   6.733
   67   1HB   HIS  10           HB2      HIS  10 -20.991   8.348   4.531
   68   2HB   HIS  10           HB1      HIS  10 -19.483   9.156   4.099
   69    HD1  HIS  10           HD1      HIS  10 -20.247   5.752   5.657
   70    HD2  HIS  10           HD2      HIS  10 -18.026   7.407   2.542
   71    HE1  HIS  10           HE1      HIS  10 -19.012   3.833   4.561
   72    H    LEU  11           HN       LEU  11 -18.185  10.674   5.817
   73    HA   LEU  11           HA       LEU  11 -15.568   9.565   5.618
   74   1HB   LEU  11           HB2      LEU  11 -16.214  11.846   4.937
   75   2HB   LEU  11           HB1      LEU  11 -16.517  12.276   6.618
   76    HG   LEU  11           HG       LEU  11 -14.134  11.863   7.152
   77   1HD1  LEU  11          HD11      LEU  11 -12.528  11.493   5.316
   78   2HD1  LEU  11          HD12      LEU  11 -13.863  11.392   4.170
   79   3HD1  LEU  11          HD13      LEU  11 -13.682  10.164   5.421
   80   1HD2  LEU  11          HD21      LEU  11 -15.054  14.098   6.243
   81   2HD2  LEU  11          HD22      LEU  11 -14.261  13.661   4.729
   82   3HD2  LEU  11          HD23      LEU  11 -13.305  13.869   6.197
   83    H    VAL  12           HN       VAL  12 -17.373  10.743   8.466
   84    HA   VAL  12           HA       VAL  12 -15.228  10.473  10.358
   85    HB   VAL  12           HB       VAL  12 -18.254  10.380  10.597
   86   1HG1  VAL  12          HG11      VAL  12 -17.484  11.266  13.007
   87   2HG1  VAL  12          HG12      VAL  12 -16.090  10.246  12.649
   88   3HG1  VAL  12          HG13      VAL  12 -17.710   9.548  12.677
   89   1HG2  VAL  12          HG21      VAL  12 -16.348  12.634  11.259
   90   2HG2  VAL  12          HG22      VAL  12 -18.101  12.715  11.084
   91   3HG2  VAL  12          HG23      VAL  12 -17.084  12.454   9.667
   92    H    GLU  13           HN       GLU  13 -17.955   8.277   9.572
   93    HA   GLU  13           HA       GLU  13 -17.201   6.151  11.303
   94   1HB   GLU  13           HB2      GLU  13 -18.702   6.248   8.678
   95   2HB   GLU  13           HB1      GLU  13 -18.594   4.791   9.666
   96   1HG   GLU  13           HG2      GLU  13 -19.598   5.999  11.569
   97   2HG   GLU  13           HG1      GLU  13 -19.708   7.459  10.589
   98    H    ALA  14           HN       ALA  14 -16.311   6.772   7.921
   99    HA   ALA  14           HA       ALA  14 -14.896   4.367   7.410
  100   1HB   ALA  14           HB1      ALA  14 -15.513   5.787   5.611
  101   2HB   ALA  14           HB2      ALA  14 -13.754   5.896   5.680
  102   3HB   ALA  14           HB3      ALA  14 -14.746   7.189   6.355
  103    H    LEU  15           HN       LEU  15 -13.620   7.536   8.498
  104    HA   LEU  15           HA       LEU  15 -10.881   6.780   8.661
  105   1HB   LEU  15           HB2      LEU  15 -12.678   8.860   9.850
  106   2HB   LEU  15           HB1      LEU  15 -11.052   8.703  10.504
  107    HG   LEU  15           HG       LEU  15 -11.400  10.374   8.568
  108   1HD1  LEU  15          HD11      LEU  15  -9.285   8.217   8.522
  109   2HD1  LEU  15          HD12      LEU  15  -9.187   9.812   9.268
  110   3HD1  LEU  15          HD13      LEU  15  -9.207   9.660   7.512
  111   1HD2  LEU  15          HD21      LEU  15 -11.163   7.896   6.844
  112   2HD2  LEU  15          HD22      LEU  15 -11.456   9.556   6.327
  113   3HD2  LEU  15          HD23      LEU  15 -12.716   8.663   7.172
  114    H    TYR  16           HN       TYR  16 -13.391   6.764  11.232
  115    HA   TYR  16           HA       TYR  16 -11.744   5.759  13.337
  116   1HB   TYR  16           HB2      TYR  16 -14.081   6.738  13.455
  117   2HB   TYR  16           HB1      TYR  16 -14.685   5.195  12.849
  118    HD1  TYR  16           HD1      TYR  16 -14.345   3.103  14.182
  119    HD2  TYR  16           HD2      TYR  16 -13.336   6.984  15.725
  120    HE1  TYR  16           HE1      TYR  16 -14.260   2.169  16.479
  121    HE2  TYR  16           HE2      TYR  16 -13.251   6.048  18.021
  122    HH   TYR  16           HH       TYR  16 -14.582   3.572  19.050
  123    H    LEU  17           HN       LEU  17 -13.899   4.001  11.085
  124    HA   LEU  17           HA       LEU  17 -13.322   1.371  11.974
  125   1HB   LEU  17           HB2      LEU  17 -14.148   2.541   9.332
  126   2HB   LEU  17           HB1      LEU  17 -14.126   0.809   9.633
  127    HG   LEU  17           HG       LEU  17 -15.635   2.756  11.390
  128   1HD1  LEU  17          HD11      LEU  17 -17.576   1.471  10.001
  129   2HD1  LEU  17          HD12      LEU  17 -16.329   1.566   8.757
  130   3HD1  LEU  17          HD13      LEU  17 -16.927   3.039   9.520
  131   1HD2  LEU  17          HD21      LEU  17 -16.821   0.700  12.077
  132   2HD2  LEU  17          HD22      LEU  17 -15.086   0.536  12.348
  133   3HD2  LEU  17          HD23      LEU  17 -15.838  -0.245  10.957
  134    H    VAL  18           HN       VAL  18 -11.763   3.393   9.511
  135    HA   VAL  18           HA       VAL  18  -9.897   1.398   8.589
  136    HB   VAL  18           HB       VAL  18 -10.054   4.400   8.456
  137   1HG1  VAL  18          HG11      VAL  18  -8.428   3.801   6.388
  138   2HG1  VAL  18          HG12      VAL  18  -7.916   2.552   7.523
  139   3HG1  VAL  18          HG13      VAL  18  -7.808   4.253   7.976
  140   1HG2  VAL  18          HG21      VAL  18 -11.685   2.723   7.271
  141   2HG2  VAL  18          HG22      VAL  18 -10.329   2.479   6.170
  142   3HG2  VAL  18          HG23      VAL  18 -11.033   4.085   6.359
  143    H    CYS  19           HN       CYS  19  -9.636   4.048  10.955
  144    HA   CYS  19           HA       CYS  19  -6.845   3.603  11.548
  145   1HB   CYS  19           HB2      CYS  19  -9.128   5.065  12.815
  146   2HB   CYS  19           HB1      CYS  19  -7.539   5.044  13.574
  147    H    GLY  20           HN       GLY  20  -9.845   2.634  13.247
  148   1HA   GLY  20           HA2      GLY  20 -10.203   1.010  14.899
  149   2HA   GLY  20           HA1      GLY  20  -8.805   0.183  14.215
  150    H    GLU  21           HN       GLU  21  -8.465   3.437  15.439
  151    HA   GLU  21           HA       GLU  21  -6.713   2.403  17.593
  152   1HB   GLU  21           HB2      GLU  21  -6.931   4.979  16.039
  153   2HB   GLU  21           HB1      GLU  21  -5.931   4.860  17.487
  154   1HG   GLU  21           HG2      GLU  21  -4.686   2.983  16.478
  155   2HG   GLU  21           HG1      GLU  21  -5.681   3.098  15.029
  156    H    ARG  22           HN       ARG  22  -6.733   3.639  19.657
  157    HA   ARG  22           HA       ARG  22  -9.374   4.820  20.318
  158   1HB   ARG  22           HB2      ARG  22  -9.212   2.515  21.130
  159   2HB   ARG  22           HB1      ARG  22  -7.652   2.860  21.871
  160   1HG   ARG  22           HG2      ARG  22  -9.311   2.931  23.622
  161   2HG   ARG  22           HG1      ARG  22  -8.814   4.591  23.301
  162   1HD   ARG  22           HD2      ARG  22 -10.820   5.076  22.103
  163   2HD   ARG  22           HD1      ARG  22 -11.236   3.357  21.961
  164    HE   ARG  22           HE       ARG  22 -12.128   3.472  24.141
  165   1HH1  ARG  22          HH21      ARG  22 -11.815   6.581  23.571
  166   2HH1  ARG  22          HH22      ARG  22 -11.211   7.075  25.117
  167   1HH2  ARG  22          HH11      ARG  22 -10.477   3.847  26.154
  168   2HH2  ARG  22          HH12      ARG  22 -10.455   5.524  26.583
  169    H    GLY  23           HN       GLY  23  -8.498   6.924  20.168
  170   1HA   GLY  23           HA2      GLY  23  -7.789   8.725  21.718
  171   2HA   GLY  23           HA1      GLY  23  -6.529   7.636  22.303
  172    H    PHE  24           HN       PHE  24  -7.341   7.943  18.905
  173    HA   PHE  24           HA       PHE  24  -4.583   8.547  18.208
  174   1HB   PHE  24           HB2      PHE  24  -5.513   8.518  15.902
  175   2HB   PHE  24           HB1      PHE  24  -6.037   7.119  16.834
  176    HD1  PHE  24           HD1      PHE  24  -7.084  10.484  15.628
  177    HD2  PHE  24           HD2      PHE  24  -8.356   6.730  17.281
  178    HE1  PHE  24           HE1      PHE  24  -9.447  11.096  15.199
  179    HE2  PHE  24           HE2      PHE  24 -10.720   7.346  16.860
  180    HZ   PHE  24           HZ       PHE  24 -11.266   9.529  15.819
  181    H    PHE  25           HN       PHE  25  -3.725  10.499  17.575
  182    HA   PHE  25           HA       PHE  25  -5.240  12.925  18.210
  183   1HB   PHE  25           HB2      PHE  25  -2.964  13.995  17.463
  184   2HB   PHE  25           HB1      PHE  25  -3.042  13.108  18.977
  185    HD1  PHE  25           HD1      PHE  25  -1.821  11.086  19.304
  186    HD2  PHE  25           HD2      PHE  25  -1.942  12.922  15.421
  187    HE1  PHE  25           HE1      PHE  25  -0.009   9.580  18.539
  188    HE2  PHE  25           HE2      PHE  25  -0.126  11.412  14.655
  189    HZ   PHE  25           HZ       PHE  25   0.839   9.741  16.216
  190    H    TYR  26           HN       TYR  26  -3.779  11.464  15.323
  191    HA   TYR  26           HA       TYR  26  -4.028  11.980  13.028
  192   1HB   TYR  26           HB2      TYR  26  -6.238  11.051  13.929
  193   2HB   TYR  26           HB1      TYR  26  -6.822  12.715  13.912
  194    HD1  TYR  26           HD1      TYR  26  -5.180  10.154  11.734
  195    HD2  TYR  26           HD2      TYR  26  -7.692  13.634  11.928
  196    HE1  TYR  26           HE1      TYR  26  -5.638   9.958   9.305
  197    HE2  TYR  26           HE2      TYR  26  -8.150  13.438   9.497
  198    HH   TYR  26           HH       TYR  26  -7.431  10.666   7.713
  199    H    THR  27           HN       THR  27  -3.281  14.337  14.816
  200    HA   THR  27           HA       THR  27  -4.651  16.625  13.646
  201    HB   THR  27           HB       THR  27  -3.829  16.546  15.976
  202    HG1  THR  27           HG1      THR  27  -3.992  18.551  14.982
  203   1HG2  THR  27          HG21      THR  27  -1.601  15.333  14.963
  204   2HG2  THR  27          HG22      THR  27  -1.678  16.083  16.557
  205   3HG2  THR  27          HG23      THR  27  -1.013  16.979  15.192
  206    HA   PRO  28           HA       PRO  28  -1.577  16.580  10.341
  207   1HB   PRO  28           HB2      PRO  28  -3.129  17.845   8.477
  208   2HB   PRO  28           HB1      PRO  28  -3.295  16.123   8.863
  209   1HG   PRO  28           HG2      PRO  28  -5.098  18.326   9.464
  210   2HG   PRO  28           HG1      PRO  28  -5.391  16.585   9.523
  211   1HD   PRO  28           HD2      PRO  28  -4.810  18.401  11.704
  212   2HD   PRO  28           HD1      PRO  28  -5.294  16.692  11.772
  213    H    LYS  29           HN       LYS  29  -0.776  18.469   8.823
  214    HA   LYS  29           HA       LYS  29  -0.137  20.758  10.489
  215   1HB   LYS  29           HB2      LYS  29   0.451  20.056   7.599
  216   2HB   LYS  29           HB1      LYS  29   1.203  21.385   8.480
  217   1HG   LYS  29           HG2      LYS  29   1.335  18.477   9.327
  218   2HG   LYS  29           HG1      LYS  29   2.614  19.325   8.457
  219   1HD   LYS  29           HD2      LYS  29   2.503  21.060  10.370
  220   2HD   LYS  29           HD1      LYS  29   1.605  19.827  11.255
  221   1HE   LYS  29           HE2      LYS  29   3.881  19.469  11.876
  222   2HE   LYS  29           HE1      LYS  29   3.574  18.243  10.629
  223   1HZ   LYS  29           HZ1      LYS  29   4.516  19.618   8.973
  224   2HZ   LYS  29           HZ2      LYS  29   5.614  19.643  10.268
  225   3HZ   LYS  29           HZ3      LYS  29   4.578  20.963  10.004
  226    H    THR  30           HN       THR  30  -2.766  21.006  10.391
  227    HA   THR  30           HA       THR  30  -3.223  23.415   8.810
  228    HB   THR  30           HB       THR  30  -5.126  21.099   8.440
  229    HG1  THR  30           HG1      THR  30  -3.310  20.279   7.577
  230   1HG2  THR  30          HG21      THR  30  -5.590  22.396   6.321
  231   2HG2  THR  30          HG22      THR  30  -4.521  23.655   6.938
  232   3HG2  THR  30          HG23      THR  30  -6.001  23.252   7.808
  233    H    ARG  31           HN       ARG  31  -3.622  24.448  10.782
  234    HA   ARG  31           HA       ARG  31  -6.198  23.830  12.081
  235   1HB   ARG  31           HB2      ARG  31  -3.482  23.889  13.421
  236   2HB   ARG  31           HB1      ARG  31  -4.990  24.013  14.323
  237   1HG   ARG  31           HG2      ARG  31  -4.294  21.703  12.484
  238   2HG   ARG  31           HG1      ARG  31  -4.083  21.684  14.229
  239   1HD   ARG  31           HD2      ARG  31  -6.523  22.151  14.507
  240   2HD   ARG  31           HD1      ARG  31  -6.712  22.029  12.748
  241    HE   ARG  31           HE       ARG  31  -5.299  19.721  13.674
  242   1HH1  ARG  31          HH21      ARG  31  -8.076  20.418  12.172
  243   2HH1  ARG  31          HH22      ARG  31  -9.089  19.294  13.014
  244   1HH2  ARG  31          HH11      ARG  31  -6.742  18.605  15.469
  245   2HH2  ARG  31          HH12      ARG  31  -8.334  18.265  14.877
  246    H    ARG  32           HN       ARG  32  -6.819  25.636  13.582
  247    HA   ARG  32           HA       ARG  32  -7.154  27.927  14.003
  248   1HB   ARG  32           HB2      ARG  32  -4.770  27.561  14.784
  249   2HB   ARG  32           HB1      ARG  32  -4.228  28.123  13.205
  250   1HG   ARG  32           HG2      ARG  32  -5.324  30.289  13.571
  251   2HG   ARG  32           HG1      ARG  32  -5.941  29.729  15.124
  252   1HD   ARG  32           HD2      ARG  32  -2.978  29.716  14.513
  253   2HD   ARG  32           HD1      ARG  32  -3.786  31.143  15.193
  254    HE   ARG  32           HE       ARG  32  -4.382  29.822  17.150
  255   1HH1  ARG  32          HH21      ARG  32  -1.403  29.152  16.264
  256   2HH1  ARG  32          HH22      ARG  32  -1.376  27.471  16.677
  257   1HH2  ARG  32          HH11      ARG  32  -4.811  27.237  17.071
  258   2HH2  ARG  32          HH12      ARG  32  -3.303  26.388  17.133
  259    H    TYR  33           HN       TYR  33  -7.197  26.707  11.113
  260    HA   TYR  33           HA       TYR  33  -6.625  29.054   9.433
  261   1HB   TYR  33           HB2      TYR  33  -7.373  26.187   9.140
  262   2HB   TYR  33           HB1      TYR  33  -7.888  27.259   7.836
  263    HD1  TYR  33           HD1      TYR  33  -5.066  25.602   9.428
  264    HD2  TYR  33           HD2      TYR  33  -6.191  28.676   6.647
  265    HE1  TYR  33           HE1      TYR  33  -2.752  25.640   8.533
  266    HE2  TYR  33           HE2      TYR  33  -3.880  28.712   5.749
  267    HH   TYR  33           HH       TYR  33  -1.281  27.346   7.327
  268    HA   PRO  34           HA       PRO  34 -10.708  30.710   9.990
  269   1HB   PRO  34           HB2      PRO  34 -10.866  32.279   7.745
  270   2HB   PRO  34           HB1      PRO  34  -9.923  32.728   9.181
  271   1HG   PRO  34           HG2      PRO  34  -9.000  31.510   6.620
  272   2HG   PRO  34           HG1      PRO  34  -8.257  32.793   7.590
  273   1HD   PRO  34           HD2      PRO  34  -7.375  30.242   7.653
  274   2HD   PRO  34           HD1      PRO  34  -7.308  31.309   9.074
  275    H    GLY  35           HN       GLY  35 -11.569  28.495   9.585
  276   1HA   GLY  35           HA2      GLY  35 -13.653  28.350   7.759
  277   2HA   GLY  35           HA1      GLY  35 -12.276  27.667   6.893
  278    H    ASP  36           HN       ASP  36 -14.356  27.263   9.725
  279    HA   ASP  36           HA       ASP  36 -13.118  24.788  10.629
  280   1HB   ASP  36           HB2      ASP  36 -15.783  26.156  11.116
  281   2HB   ASP  36           HB1      ASP  36 -15.287  24.688  11.957
  282    H    VAL  37           HN       VAL  37 -14.111  22.669  10.458
  283    HA   VAL  37           HA       VAL  37 -15.155  20.882   9.355
  284    HB   VAL  37           HB       VAL  37 -16.996  23.060   8.322
  285   1HG1  VAL  37          HG11      VAL  37 -17.985  20.334   8.903
  286   2HG1  VAL  37          HG12      VAL  37 -16.882  20.454   7.532
  287   3HG1  VAL  37          HG13      VAL  37 -18.364  21.409   7.557
  288   1HG2  VAL  37          HG21      VAL  37 -16.700  21.737  10.969
  289   2HG2  VAL  37          HG22      VAL  37 -18.347  21.899  10.358
  290   3HG2  VAL  37          HG23      VAL  37 -17.341  23.332  10.575
  291    H    LYS  38           HN       LYS  38 -15.495  23.591   7.016
  292    HA   LYS  38           HA       LYS  38 -14.611  21.874   4.821
  293   1HB   LYS  38           HB2      LYS  38 -15.100  23.848   3.482
  294   2HB   LYS  38           HB1      LYS  38 -16.365  23.678   4.695
  295   1HG   LYS  38           HG2      LYS  38 -15.100  25.324   6.133
  296   2HG   LYS  38           HG1      LYS  38 -14.004  25.582   4.775
  297   1HD   LYS  38           HD2      LYS  38 -16.037  26.164   3.376
  298   2HD   LYS  38           HD1      LYS  38 -16.979  26.144   4.866
  299   1HE   LYS  38           HE2      LYS  38 -14.636  27.732   5.344
  300   2HE   LYS  38           HE1      LYS  38 -15.387  28.289   3.837
  301   1HZ   LYS  38           HZ1      LYS  38 -17.574  28.048   5.154
  302   2HZ   LYS  38           HZ2      LYS  38 -16.593  29.400   5.458
  303   3HZ   LYS  38           HZ3      LYS  38 -16.582  28.084   6.530
  304    H    ARG  39           HN       ARG  39 -12.664  22.129   3.636
  305    HA   ARG  39           HA       ARG  39 -10.639  24.073   4.340
  306   1HB   ARG  39           HB2      ARG  39 -10.864  22.056   6.120
  307   2HB   ARG  39           HB1      ARG  39  -9.780  21.291   4.957
  308   1HG   ARG  39           HG2      ARG  39  -8.276  22.367   6.394
  309   2HG   ARG  39           HG1      ARG  39  -8.455  23.542   5.092
  310   1HD   ARG  39           HD2      ARG  39  -8.723  24.835   7.070
  311   2HD   ARG  39           HD1      ARG  39 -10.390  24.524   6.549
  312    HE   ARG  39           HE       ARG  39 -10.130  22.418   8.113
  313   1HH1  ARG  39          HH21      ARG  39  -7.503  23.274   9.222
  314   2HH1  ARG  39          HH22      ARG  39  -7.962  24.148  10.645
  315   1HH2  ARG  39          HH11      ARG  39 -11.269  24.520   9.673
  316   2HH2  ARG  39          HH12      ARG  39 -10.095  24.849  10.902
  317    H    GLY  40           HN       GLY  40 -11.297  20.879   2.931
  318   1HA   GLY  40           HA2      GLY  40 -10.936  21.139   0.320
  319   2HA   GLY  40           HA1      GLY  40  -9.263  21.371   0.825
  320    H    ILE  41           HN       ILE  41  -9.631  19.436   3.101
  321    HA   ILE  41           HA       ILE  41  -8.687  17.060   1.837
  322    HB   ILE  41           HB       ILE  41 -10.002  17.563   4.530
  323   1HG1  ILE  41          HG12      ILE  41  -7.075  17.267   3.813
  324   2HG1  ILE  41          HG11      ILE  41  -7.889  18.827   3.944
  325   1HG2  ILE  41          HG21      ILE  41  -8.395  15.189   3.536
  326   2HG2  ILE  41          HG22      ILE  41 -10.071  15.172   4.083
  327   3HG2  ILE  41          HG23      ILE  41  -8.772  15.488   5.233
  328   1HD1  ILE  41          HD11      ILE  41  -8.062  18.700   6.230
  329   2HD1  ILE  41          HD12      ILE  41  -6.649  17.663   6.036
  330   3HD1  ILE  41          HD13      ILE  41  -8.250  16.947   6.222
  331    H    VAL  42           HN       VAL  42 -11.905  17.779   3.195
  332    HA   VAL  42           HA       VAL  42 -13.140  15.314   2.445
  333    HB   VAL  42           HB       VAL  42 -15.223  16.562   2.921
  334   1HG1  VAL  42          HG11      VAL  42 -14.783  16.808   5.179
  335   2HG1  VAL  42          HG12      VAL  42 -13.260  17.651   4.897
  336   3HG1  VAL  42          HG13      VAL  42 -13.351  15.902   4.690
  337   1HG2  VAL  42          HG21      VAL  42 -13.404  18.996   2.981
  338   2HG2  VAL  42          HG22      VAL  42 -15.101  18.975   3.450
  339   3HG2  VAL  42          HG23      VAL  42 -14.649  18.673   1.776
  340    H    GLU  43           HN       GLU  43 -12.867  18.415   0.739
  341    HA   GLU  43           HA       GLU  43 -14.596  17.830  -1.446
  342   1HB   GLU  43           HB2      GLU  43 -12.183  19.619  -1.106
  343   2HB   GLU  43           HB1      GLU  43 -13.190  19.640  -2.555
  344   1HG   GLU  43           HG2      GLU  43 -14.245  20.058   0.258
  345   2HG   GLU  43           HG1      GLU  43 -13.860  21.366  -0.862
  346    H    GLN  44           HN       GLN  44 -11.109  17.186  -0.999
  347    HA   GLN  44           HA       GLN  44 -10.496  16.345  -3.652
  348   1HB   GLN  44           HB2      GLN  44  -9.457  15.529  -0.924
  349   2HB   GLN  44           HB1      GLN  44  -8.691  15.028  -2.430
  350   1HG   GLN  44           HG2      GLN  44  -8.230  17.313  -3.040
  351   2HG   GLN  44           HG1      GLN  44  -9.192  17.921  -1.695
  352   1HE2  GLN  44          HE21      GLN  44  -6.147  18.054  -2.373
  353   2HE2  GLN  44          HE22      GLN  44  -5.404  17.566  -0.927
  354    H    CYS  45           HN       CYS  45 -11.775  14.502  -0.882
  355    HA   CYS  45           HA       CYS  45 -11.851  11.985  -2.399
  356   1HB   CYS  45           HB2      CYS  45 -13.041  12.782   0.281
  357   2HB   CYS  45           HB1      CYS  45 -12.818  11.135  -0.298
  358    H    CYS  46           HN       CYS  46 -14.052  14.571  -1.482
  359    HA   CYS  46           HA       CYS  46 -16.560  13.328  -1.972
  360   1HB   CYS  46           HB2      CYS  46 -15.417  15.996  -1.637
  361   2HB   CYS  46           HB1      CYS  46 -16.786  16.007  -2.741
  362    H    THR  47           HN       THR  47 -14.773  15.479  -4.249
  363    HA   THR  47           HA       THR  47 -16.522  14.870  -6.471
  364    HB   THR  47           HB       THR  47 -13.709  16.013  -6.357
  365    HG1  THR  47           HG1      THR  47 -16.290  17.185  -6.300
  366   1HG2  THR  47          HG21      THR  47 -14.425  15.239  -8.620
  367   2HG2  THR  47          HG22      THR  47 -14.232  16.990  -8.533
  368   3HG2  THR  47          HG23      THR  47 -15.845  16.277  -8.493
  369    H    SER  48           HN       SER  48 -13.301  13.685  -5.515
  370    HA   SER  48           HA       SER  48 -13.630  11.449  -7.491
  371   1HB   SER  48           HB2      SER  48 -11.182  13.044  -6.666
  372   2HB   SER  48           HB1      SER  48 -11.114  11.596  -7.667
  373    HG   SER  48           HG       SER  48 -12.198  14.130  -8.224
  374    H    ILE  49           HN       ILE  49 -13.121   9.391  -6.678
  375    HA   ILE  49           HA       ILE  49 -13.232   8.957  -3.846
  376    HB   ILE  49           HB       ILE  49 -12.260   7.194  -6.125
  377   1HG1  ILE  49          HG12      ILE  49 -14.979   7.234  -4.792
  378   2HG1  ILE  49          HG11      ILE  49 -14.623   8.182  -6.236
  379   1HG2  ILE  49          HG21      ILE  49 -13.352   5.520  -4.261
  380   2HG2  ILE  49          HG22      ILE  49 -12.631   6.746  -3.219
  381   3HG2  ILE  49          HG23      ILE  49 -11.627   5.869  -4.374
  382   1HD1  ILE  49          HD11      ILE  49 -14.148   6.217  -7.521
  383   2HD1  ILE  49          HD12      ILE  49 -15.649   5.884  -6.657
  384   3HD1  ILE  49          HD13      ILE  49 -14.129   5.199  -6.081
  385    H    CYS  50           HN       CYS  50 -11.615   9.206  -2.374
  386    HA   CYS  50           HA       CYS  50  -8.907   9.887  -3.144
  387   1HB   CYS  50           HB2      CYS  50 -10.481   9.408  -0.645
  388   2HB   CYS  50           HB1      CYS  50  -8.721   9.384  -0.517
  389    H    SER  51           HN       SER  51  -7.011   8.581  -2.870
  390    HA   SER  51           HA       SER  51  -7.410   5.760  -3.456
  391   1HB   SER  51           HB2      SER  51  -5.042   5.793  -3.790
  392   2HB   SER  51           HB1      SER  51  -5.620   7.374  -4.307
  393    HG   SER  51           HG       SER  51  -5.093   8.103  -2.157
  394    H    LEU  52           HN       LEU  52  -7.124   4.028  -2.124
  395    HA   LEU  52           HA       LEU  52  -7.485   4.213   0.679
  396   1HB   LEU  52           HB2      LEU  52  -8.020   2.262  -0.738
  397   2HB   LEU  52           HB1      LEU  52  -6.302   2.005  -1.039
  398    HG   LEU  52           HG       LEU  52  -6.012   1.789   1.478
  399   1HD1  LEU  52          HD11      LEU  52  -8.497   0.914   2.292
  400   2HD1  LEU  52          HD12      LEU  52  -8.908   2.304   1.287
  401   3HD1  LEU  52          HD13      LEU  52  -7.818   2.499   2.659
  402   1HD2  LEU  52          HD21      LEU  52  -7.800  -0.202   0.043
  403   2HD2  LEU  52          HD22      LEU  52  -6.868  -0.545   1.501
  404   3HD2  LEU  52          HD23      LEU  52  -6.038  -0.167  -0.009
  405    H    TYR  53           HN       TYR  53  -4.524   3.802  -1.250
  406    HA   TYR  53           HA       TYR  53  -2.664   3.273   0.818
  407   1HB   TYR  53           HB2      TYR  53  -2.296   3.124  -1.629
  408   2HB   TYR  53           HB1      TYR  53  -2.321   4.879  -1.706
  409    HD1  TYR  53           HD1      TYR  53  -0.576   6.204  -0.432
  410    HD2  TYR  53           HD2      TYR  53  -0.338   1.951  -0.977
  411    HE1  TYR  53           HE1      TYR  53   1.841   6.271   0.117
  412    HE2  TYR  53           HE2      TYR  53   2.078   2.014  -0.426
  413    HH   TYR  53           HH       TYR  53   3.750   3.314   0.457
  414    H    GLN  54           HN       GLN  54  -3.794   6.428  -0.442
  415    HA   GLN  54           HA       GLN  54  -2.054   8.043   1.200
  416   1HB   GLN  54           HB2      GLN  54  -4.708   8.511  -0.189
  417   2HB   GLN  54           HB1      GLN  54  -3.818   9.800   0.621
  418   1HG   GLN  54           HG2      GLN  54  -1.870   9.378  -0.825
  419   2HG   GLN  54           HG1      GLN  54  -2.744   8.078  -1.634
  420   1HE2  GLN  54          HE21      GLN  54  -2.695   9.245  -3.704
  421   2HE2  GLN  54          HE22      GLN  54  -3.674  10.607  -3.963
  422    H    LEU  55           HN       LEU  55  -5.360   6.802   1.630
  423    HA   LEU  55           HA       LEU  55  -6.023   8.157   4.046
  424   1HB   LEU  55           HB2      LEU  55  -6.775   5.451   2.907
  425   2HB   LEU  55           HB1      LEU  55  -7.588   6.179   4.292
  426    HG   LEU  55           HG       LEU  55  -7.341   7.488   1.569
  427   1HD1  LEU  55          HD11      LEU  55  -9.088   5.392   2.452
  428   2HD1  LEU  55          HD12      LEU  55  -9.101   6.251   0.913
  429   3HD1  LEU  55          HD13      LEU  55 -10.042   6.863   2.270
  430   1HD2  LEU  55          HD21      LEU  55  -8.328   8.338   4.224
  431   2HD2  LEU  55          HD22      LEU  55  -9.439   8.664   2.893
  432   3HD2  LEU  55          HD23      LEU  55  -7.801   9.314   2.853
  433    H    GLU  56           HN       GLU  56  -4.422   5.009   3.527
  434    HA   GLU  56           HA       GLU  56  -4.178   4.216   6.254
  435   1HB   GLU  56           HB2      GLU  56  -2.537   3.704   3.761
  436   2HB   GLU  56           HB1      GLU  56  -2.219   2.880   5.288
  437   1HG   GLU  56           HG2      GLU  56  -4.532   2.019   5.308
  438   2HG   GLU  56           HG1      GLU  56  -4.851   2.839   3.778
  439    H    ASN  57           HN       ASN  57  -1.997   6.146   4.201
  440    HA   ASN  57           HA       ASN  57   0.126   6.420   6.117
  441   1HB   ASN  57           HB2      ASN  57   0.258   6.840   3.663
  442   2HB   ASN  57           HB1      ASN  57  -0.737   8.281   3.881
  443   1HD2  ASN  57          HD21      ASN  57   0.408  10.182   4.250
  444   2HD2  ASN  57          HD22      ASN  57   2.005  10.264   4.819
  445    H    TYR  58           HN       TYR  58  -2.742   8.434   5.450
  446    HA   TYR  58           HA       TYR  58  -2.087  10.641   7.121
  447   1HB   TYR  58           HB2      TYR  58  -4.640   9.353   6.167
  448   2HB   TYR  58           HB1      TYR  58  -4.677  10.777   7.202
  449    HD1  TYR  58           HD1      TYR  58  -5.083   9.964   3.955
  450    HD2  TYR  58           HD2      TYR  58  -2.506  12.447   6.334
  451    HE1  TYR  58           HE1      TYR  58  -4.633  11.393   1.979
  452    HE2  TYR  58           HE2      TYR  58  -2.057  13.875   4.358
  453    HH   TYR  58           HH       TYR  58  -3.804  13.462   1.336
  454    H    CYS  59           HN       CYS  59  -3.728   7.567   7.914
  455    HA   CYS  59           HA       CYS  59  -3.985   8.375  10.749
  456   1HB   CYS  59           HB2      CYS  59  -5.743   7.126   9.423
  457   2HB   CYS  59           HB1      CYS  59  -4.651   5.740   9.405
  458    H    ASN  60           HN       ASN  60  -1.619   6.874   8.780
  459    HA   ASN  60           HA       ASN  60  -0.569   4.909  10.619
  460   1HB   ASN  60           HB2      ASN  60   0.313   6.375   8.171
  461   2HB   ASN  60           HB1      ASN  60   1.568   5.600   9.138
  462   1HD2  ASN  60          HD21      ASN  60   0.939   4.645   6.519
  463   2HD2  ASN  60          HD22      ASN  60   0.231   3.109   6.660
  Start of MODEL   10
    1   1H    PHE   1           HT1      PHE   1 -18.010  -6.274  -4.970
    2   2H    PHE   1           HT2      PHE   1 -19.388  -5.283  -4.911
    3   3H    PHE   1           HT3      PHE   1 -18.091  -5.004  -3.849
    4    HA   PHE   1           HA       PHE   1 -16.672  -4.312  -5.645
    5   1HB   PHE   1           HB2      PHE   1 -17.635  -6.044  -7.167
    6   2HB   PHE   1           HB1      PHE   1 -19.079  -5.045  -7.345
    7    HD1  PHE   1           HD1      PHE   1 -15.502  -5.370  -8.150
    8    HD2  PHE   1           HD2      PHE   1 -19.014  -2.933  -8.579
    9    HE1  PHE   1           HE1      PHE   1 -14.376  -4.060  -9.929
   10    HE2  PHE   1           HE2      PHE   1 -17.887  -1.624 -10.359
   11    HZ   PHE   1           HZ       PHE   1 -15.568  -2.187 -11.034
   12    H    VAL   2           HN       VAL   2 -16.935  -2.287  -4.591
   13    HA   VAL   2           HA       VAL   2 -19.190  -0.615  -5.545
   14    HB   VAL   2           HB       VAL   2 -19.197   0.362  -3.265
   15   1HG1  VAL   2          HG11      VAL   2 -19.337  -2.595  -2.829
   16   2HG1  VAL   2          HG12      VAL   2 -20.424  -1.866  -4.011
   17   3HG1  VAL   2          HG13      VAL   2 -20.468  -1.338  -2.328
   18   1HG2  VAL   2          HG21      VAL   2 -16.760  -0.178  -2.829
   19   2HG2  VAL   2          HG22      VAL   2 -17.254  -1.849  -2.555
   20   3HG2  VAL   2          HG23      VAL   2 -17.848  -0.569  -1.497
   21    H    ASN   3           HN       ASN   3 -18.671   1.709  -5.571
   22    HA   ASN   3           HA       ASN   3 -15.853   2.531  -5.294
   23   1HB   ASN   3           HB2      ASN   3 -17.295   2.076  -7.890
   24   2HB   ASN   3           HB1      ASN   3 -16.123   3.389  -7.794
   25   1HD2  ASN   3          HD21      ASN   3 -15.817   0.908  -9.375
   26   2HD2  ASN   3          HD22      ASN   3 -14.442   0.119  -8.768
   27    H    GLN   4           HN       GLN   4 -18.301   3.283  -4.028
   28    HA   GLN   4           HA       GLN   4 -19.245   5.812  -5.179
   29   1HB   GLN   4           HB2      GLN   4 -19.663   4.523  -2.466
   30   2HB   GLN   4           HB1      GLN   4 -20.620   5.839  -3.134
   31   1HG   GLN   4           HG2      GLN   4 -20.347   3.148  -4.498
   32   2HG   GLN   4           HG1      GLN   4 -21.659   3.536  -3.385
   33   1HE2  GLN   4          HE21      GLN   4 -23.014   5.513  -4.001
   34   2HE2  GLN   4          HE22      GLN   4 -23.227   5.850  -5.651
   35    H    HIS   5           HN       HIS   5 -19.074   7.846  -3.944
   36    HA   HIS   5           HA       HIS   5 -16.347   8.363  -3.023
   37   1HB   HIS   5           HB2      HIS   5 -18.888  10.017  -3.183
   38   2HB   HIS   5           HB1      HIS   5 -17.305  10.678  -2.778
   39    HD1  HIS   5           HD1      HIS   5 -15.377   9.904  -4.703
   40    HD2  HIS   5           HD2      HIS   5 -19.364  10.191  -5.888
   41    HE1  HIS   5           HE1      HIS   5 -15.361  10.124  -7.226
   42    H    LEU   6           HN       LEU   6 -15.698   8.711  -0.875
   43    HA   LEU   6           HA       LEU   6 -17.675   8.023   1.227
   44   1HB   LEU   6           HB2      LEU   6 -14.646   8.113   1.167
   45   2HB   LEU   6           HB1      LEU   6 -15.603   7.604   2.559
   46    HG   LEU   6           HG       LEU   6 -16.722   6.023   0.712
   47   1HD1  LEU   6          HD11      LEU   6 -14.033   6.822  -0.350
   48   2HD1  LEU   6          HD12      LEU   6 -15.532   6.516  -1.226
   49   3HD1  LEU   6          HD13      LEU   6 -14.589   5.166  -0.594
   50   1HD2  LEU   6          HD21      LEU   6 -14.282   5.698   2.423
   51   2HD2  LEU   6          HD22      LEU   6 -14.760   4.374   1.360
   52   3HD2  LEU   6          HD23      LEU   6 -15.874   4.960   2.596
   53    H    CYS   7           HN       CYS   7 -18.668   9.961   1.745
   54    HA   CYS   7           HA       CYS   7 -16.966  12.074   2.978
   55   1HB   CYS   7           HB2      CYS   7 -18.958  12.434   0.711
   56   2HB   CYS   7           HB1      CYS   7 -18.276  13.773   1.629
   57    H    GLY   8           HN       GLY   8 -18.979  13.924   3.449
   58   1HA   GLY   8           HA2      GLY   8 -20.705  14.385   4.955
   59   2HA   GLY   8           HA1      GLY   8 -21.530  13.024   4.193
   60    H    SER   9           HN       SER   9 -22.384  12.109   6.102
   61    HA   SER   9           HA       SER   9 -20.823  11.745   8.523
   62   1HB   SER   9           HB2      SER   9 -23.316  11.990   8.333
   63   2HB   SER   9           HB1      SER   9 -23.375  10.385   7.609
   64    HG   SER   9           HG       SER   9 -23.389  10.979  10.154
   65    H    HIS  10           HN       HIS  10 -21.430   9.770   5.671
   66    HA   HIS  10           HA       HIS  10 -20.737   7.204   6.712
   67   1HB   HIS  10           HB2      HIS  10 -21.835   7.678   4.538
   68   2HB   HIS  10           HB1      HIS  10 -20.332   8.380   3.942
   69    HD1  HIS  10           HD1      HIS  10 -18.356   6.748   3.451
   70    HD2  HIS  10           HD2      HIS  10 -21.852   4.840   4.682
   71    HE1  HIS  10           HE1      HIS  10 -18.037   4.283   2.963
   72    H    LEU  11           HN       LEU  11 -18.687   9.755   5.275
   73    HA   LEU  11           HA       LEU  11 -16.234   8.293   5.213
   74   1HB   LEU  11           HB2      LEU  11 -16.650  10.433   4.076
   75   2HB   LEU  11           HB1      LEU  11 -16.780  11.252   5.630
   76    HG   LEU  11           HG       LEU  11 -14.434  10.619   6.140
   77   1HD1  LEU  11          HD11      LEU  11 -14.111   8.609   4.905
   78   2HD1  LEU  11          HD12      LEU  11 -13.082   9.800   4.111
   79   3HD1  LEU  11          HD13      LEU  11 -14.633   9.360   3.398
   80   1HD2  LEU  11          HD21      LEU  11 -13.386  12.184   4.602
   81   2HD2  LEU  11          HD22      LEU  11 -15.008  12.769   4.970
   82   3HD2  LEU  11          HD23      LEU  11 -14.689  11.966   3.433
   83    H    VAL  12           HN       VAL  12 -17.657  10.327   7.791
   84    HA   VAL  12           HA       VAL  12 -15.480  10.210   9.635
   85    HB   VAL  12           HB       VAL  12 -18.489  10.420  10.001
   86   1HG1  VAL  12          HG11      VAL  12 -16.245  10.467  11.953
   87   2HG1  VAL  12          HG12      VAL  12 -17.936  10.029  12.194
   88   3HG1  VAL  12          HG13      VAL  12 -17.465  11.728  12.137
   89   1HG2  VAL  12          HG21      VAL  12 -17.548  12.885  10.463
   90   2HG2  VAL  12          HG22      VAL  12 -17.933  12.330   8.834
   91   3HG2  VAL  12          HG23      VAL  12 -16.262  12.316   9.399
   92    H    GLU  13           HN       GLU  13 -18.350   8.122   9.302
   93    HA   GLU  13           HA       GLU  13 -17.772   6.296  11.406
   94   1HB   GLU  13           HB2      GLU  13 -19.925   6.499  10.186
   95   2HB   GLU  13           HB1      GLU  13 -19.152   5.854   8.737
   96   1HG   GLU  13           HG2      GLU  13 -18.641   3.756   9.937
   97   2HG   GLU  13           HG1      GLU  13 -19.412   4.397  11.386
   98    H    ALA  14           HN       ALA  14 -16.813   6.343   7.995
   99    HA   ALA  14           HA       ALA  14 -15.507   3.820   7.870
  100   1HB   ALA  14           HB1      ALA  14 -15.196   6.456   6.425
  101   2HB   ALA  14           HB2      ALA  14 -16.017   5.001   5.862
  102   3HB   ALA  14           HB3      ALA  14 -14.257   5.034   5.971
  103    H    LEU  15           HN       LEU  15 -14.293   7.050   8.788
  104    HA   LEU  15           HA       LEU  15 -11.531   6.396   9.047
  105   1HB   LEU  15           HB2      LEU  15 -13.343   8.374  10.459
  106   2HB   LEU  15           HB1      LEU  15 -11.590   8.370  10.654
  107    HG   LEU  15           HG       LEU  15 -12.974   8.564   7.966
  108   1HD1  LEU  15          HD11      LEU  15 -11.866  10.724   9.786
  109   2HD1  LEU  15          HD12      LEU  15 -13.537  10.549   9.248
  110   3HD1  LEU  15          HD13      LEU  15 -12.278  10.980   8.090
  111   1HD2  LEU  15          HD21      LEU  15 -10.144   8.641   8.966
  112   2HD2  LEU  15          HD22      LEU  15 -10.571   9.592   7.543
  113   3HD2  LEU  15          HD23      LEU  15 -10.799   7.843   7.536
  114    H    TYR  16           HN       TYR  16 -14.171   6.252  11.457
  115    HA   TYR  16           HA       TYR  16 -12.577   5.400  13.677
  116   1HB   TYR  16           HB2      TYR  16 -15.481   5.007  12.900
  117   2HB   TYR  16           HB1      TYR  16 -14.842   4.555  14.480
  118    HD1  TYR  16           HD1      TYR  16 -13.049   6.629  15.264
  119    HD2  TYR  16           HD2      TYR  16 -16.711   6.976  13.045
  120    HE1  TYR  16           HE1      TYR  16 -13.293   8.974  16.032
  121    HE2  TYR  16           HE2      TYR  16 -16.953   9.322  13.812
  122    HH   TYR  16           HH       TYR  16 -15.312  10.599  16.359
  123    H    LEU  17           HN       LEU  17 -14.532   3.479  11.379
  124    HA   LEU  17           HA       LEU  17 -13.734   0.930  12.421
  125   1HB   LEU  17           HB2      LEU  17 -14.917   1.840   9.814
  126   2HB   LEU  17           HB1      LEU  17 -14.773   0.147  10.268
  127    HG   LEU  17           HG       LEU  17 -16.227   2.244  11.908
  128   1HD1  LEU  17          HD11      LEU  17 -17.657   2.001  10.094
  129   2HD1  LEU  17          HD12      LEU  17 -18.208   0.677  11.121
  130   3HD1  LEU  17          HD13      LEU  17 -17.128   0.351   9.765
  131   1HD2  LEU  17          HD21      LEU  17 -17.194  -0.092  12.770
  132   2HD2  LEU  17          HD22      LEU  17 -15.715   0.592  13.443
  133   3HD2  LEU  17          HD23      LEU  17 -15.622  -0.669  12.214
  134    H    VAL  18           HN       VAL  18 -12.553   2.899   9.701
  135    HA   VAL  18           HA       VAL  18 -10.703   0.933   8.690
  136    HB   VAL  18           HB       VAL  18 -10.982   3.918   8.433
  137   1HG1  VAL  18          HG11      VAL  18  -8.967   2.053   7.230
  138   2HG1  VAL  18          HG12      VAL  18  -8.748   3.705   7.808
  139   3HG1  VAL  18          HG13      VAL  18  -9.561   3.409   6.271
  140   1HG2  VAL  18          HG21      VAL  18 -11.515   1.753   6.398
  141   2HG2  VAL  18          HG22      VAL  18 -12.057   3.431   6.358
  142   3HG2  VAL  18          HG23      VAL  18 -12.748   2.308   7.530
  143    H    CYS  19           HN       CYS  19 -10.252   3.778  10.816
  144    HA   CYS  19           HA       CYS  19  -7.422   3.333  11.219
  145   1HB   CYS  19           HB2      CYS  19  -9.553   4.885  12.662
  146   2HB   CYS  19           HB1      CYS  19  -7.861   4.949  13.132
  147    H    GLY  20           HN       GLY  20 -10.340   2.459  13.041
  148   1HA   GLY  20           HA2      GLY  20 -10.683   0.829  14.677
  149   2HA   GLY  20           HA1      GLY  20  -9.153   0.122  14.170
  150    H    GLU  21           HN       GLU  21  -9.339   3.448  15.285
  151    HA   GLU  21           HA       GLU  21  -8.298   2.670  17.943
  152   1HB   GLU  21           HB2      GLU  21  -6.423   2.890  16.292
  153   2HB   GLU  21           HB1      GLU  21  -6.895   4.572  16.048
  154   1HG   GLU  21           HG2      GLU  21  -6.459   5.093  18.379
  155   2HG   GLU  21           HG1      GLU  21  -6.159   3.395  18.743
  156    H    ARG  22           HN       ARG  22  -9.610   3.770  19.322
  157    HA   ARG  22           HA       ARG  22 -11.193   6.050  18.678
  158   1HB   ARG  22           HB2      ARG  22 -11.537   4.397  20.536
  159   2HB   ARG  22           HB1      ARG  22 -10.167   5.119  21.379
  160   1HG   ARG  22           HG2      ARG  22 -11.329   7.302  21.396
  161   2HG   ARG  22           HG1      ARG  22 -12.706   6.570  20.572
  162   1HD   ARG  22           HD2      ARG  22 -11.654   5.567  23.239
  163   2HD   ARG  22           HD1      ARG  22 -12.988   6.728  23.086
  164    HE   ARG  22           HE       ARG  22 -13.896   4.837  21.430
  165   1HH1  ARG  22          HH11      ARG  22 -11.828   2.921  22.556
  166   2HH1  ARG  22          HH12      ARG  22 -12.745   2.108  23.780
  167   1HH2  ARG  22          HH21      ARG  22 -15.276   4.479  23.832
  168   2HH2  ARG  22          HH22      ARG  22 -14.697   2.990  24.503
  169    H    GLY  23           HN       GLY  23  -8.017   5.756  20.255
  170   1HA   GLY  23           HA2      GLY  23  -7.811   8.690  20.533
  171   2HA   GLY  23           HA1      GLY  23  -6.660   7.510  21.156
  172    H    PHE  24           HN       PHE  24  -7.941   8.054  17.860
  173    HA   PHE  24           HA       PHE  24  -5.307   7.671  16.672
  174   1HB   PHE  24           HB2      PHE  24  -6.531   8.082  14.591
  175   2HB   PHE  24           HB1      PHE  24  -7.511   7.056  15.635
  176    HD1  PHE  24           HD1      PHE  24  -7.062  10.487  14.336
  177    HD2  PHE  24           HD2      PHE  24  -9.610   7.848  16.562
  178    HE1  PHE  24           HE1      PHE  24  -8.888  12.158  14.217
  179    HE2  PHE  24           HE2      PHE  24 -11.436   9.522  16.452
  180    HZ   PHE  24           HZ       PHE  24 -11.076  11.677  15.278
  181    H    PHE  25           HN       PHE  25  -3.986   9.342  15.701
  182    HA   PHE  25           HA       PHE  25  -4.179  11.947  16.982
  183   1HB   PHE  25           HB2      PHE  25  -2.330  10.881  14.820
  184   2HB   PHE  25           HB1      PHE  25  -2.062  12.337  15.772
  185    HD1  PHE  25           HD1      PHE  25  -2.498  11.769  18.472
  186    HD2  PHE  25           HD2      PHE  25  -1.023   9.094  15.453
  187    HE1  PHE  25           HE1      PHE  25  -1.392  10.402  20.222
  188    HE2  PHE  25           HE2      PHE  25   0.080   7.726  17.201
  189    HZ   PHE  25           HZ       PHE  25  -0.104   8.379  19.586
  190    H    TYR  26           HN       TYR  26  -3.734  11.145  13.536
  191    HA   TYR  26           HA       TYR  26  -4.410  12.295  11.596
  192   1HB   TYR  26           HB2      TYR  26  -6.355  10.897  12.563
  193   2HB   TYR  26           HB1      TYR  26  -7.054  12.448  13.036
  194    HD1  TYR  26           HD1      TYR  26  -5.560  10.677  10.096
  195    HD2  TYR  26           HD2      TYR  26  -8.308  13.680  11.469
  196    HE1  TYR  26           HE1      TYR  26  -6.363  11.002   7.774
  197    HE2  TYR  26           HE2      TYR  26  -9.111  14.006   9.144
  198    HH   TYR  26           HH       TYR  26  -8.601  11.875   6.708
  199    H    THR  27           HN       THR  27  -3.475  14.087  13.866
  200    HA   THR  27           HA       THR  27  -5.153  16.469  13.678
  201    HB   THR  27           HB       THR  27  -3.295  17.414  15.080
  202    HG1  THR  27           HG1      THR  27  -1.519  16.285  15.385
  203   1HG2  THR  27          HG21      THR  27  -3.647  14.932  16.521
  204   2HG2  THR  27          HG22      THR  27  -5.158  15.398  15.741
  205   3HG2  THR  27          HG23      THR  27  -4.355  16.513  16.847
  206    HA   PRO  28           HA       PRO  28  -2.726  17.546  10.026
  207   1HB   PRO  28           HB2      PRO  28  -4.494  19.346   8.978
  208   2HB   PRO  28           HB1      PRO  28  -4.683  17.592   8.802
  209   1HG   PRO  28           HG2      PRO  28  -6.183  19.475  10.477
  210   2HG   PRO  28           HG1      PRO  28  -6.648  17.882   9.871
  211   1HD   PRO  28           HD2      PRO  28  -5.742  18.550  12.483
  212   2HD   PRO  28           HD1      PRO  28  -6.115  16.937  11.843
  213    H    LYS  29           HN       LYS  29  -2.289  19.941   9.040
  214    HA   LYS  29           HA       LYS  29  -0.924  21.431  11.067
  215   1HB   LYS  29           HB2      LYS  29  -0.399  21.302   8.605
  216   2HB   LYS  29           HB1      LYS  29  -1.813  22.310   8.301
  217   1HG   LYS  29           HG2      LYS  29  -0.872  24.145   9.537
  218   2HG   LYS  29           HG1      LYS  29   0.443  23.137  10.143
  219   1HD   LYS  29           HD2      LYS  29   1.321  24.467   8.329
  220   2HD   LYS  29           HD1      LYS  29   1.182  22.805   7.755
  221   1HE   LYS  29           HE2      LYS  29  -1.045  23.399   6.740
  222   2HE   LYS  29           HE1      LYS  29  -0.737  25.090   7.185
  223   1HZ   LYS  29           HZ1      LYS  29   1.223  25.130   5.896
  224   2HZ   LYS  29           HZ2      LYS  29   0.042  24.420   4.901
  225   3HZ   LYS  29           HZ3      LYS  29   1.210  23.450   5.664
  226    H    THR  30           HN       THR  30  -4.029  21.871   9.416
  227    HA   THR  30           HA       THR  30  -5.844  23.319   9.850
  228    HB   THR  30           HB       THR  30  -4.738  22.885  12.642
  229    HG1  THR  30           HG1      THR  30  -5.355  20.916  12.372
  230   1HG2  THR  30          HG21      THR  30  -6.527  24.048  13.340
  231   2HG2  THR  30          HG22      THR  30  -7.575  22.870  12.551
  232   3HG2  THR  30          HG23      THR  30  -7.046  24.306  11.674
  233    H    ARG  31           HN       ARG  31  -3.545  24.782   9.065
  234    HA   ARG  31           HA       ARG  31  -2.577  26.943   9.165
  235   1HB   ARG  31           HB2      ARG  31  -5.390  27.308  10.235
  236   2HB   ARG  31           HB1      ARG  31  -4.363  28.639   9.697
  237   1HG   ARG  31           HG2      ARG  31  -4.181  27.604   7.471
  238   2HG   ARG  31           HG1      ARG  31  -5.209  26.273   8.001
  239   1HD   ARG  31           HD2      ARG  31  -6.919  28.162   8.617
  240   2HD   ARG  31           HD1      ARG  31  -5.959  29.147   7.493
  241    HE   ARG  31           HE       ARG  31  -7.533  26.749   6.774
  242   1HH1  ARG  31          HH11      ARG  31  -4.614  27.024   5.639
  243   2HH1  ARG  31          HH12      ARG  31  -4.978  27.673   4.076
  244   1HH2  ARG  31          HH21      ARG  31  -8.258  28.462   4.870
  245   2HH2  ARG  31          HH22      ARG  31  -7.040  28.482   3.639
  246    H    ARG  32           HN       ARG  32  -2.797  29.043  10.869
  247    HA   ARG  32           HA       ARG  32  -1.152  28.396  13.087
  248   1HB   ARG  32           HB2      ARG  32  -2.946  30.748  12.445
  249   2HB   ARG  32           HB1      ARG  32  -1.785  30.748  13.777
  250   1HG   ARG  32           HG2      ARG  32  -0.957  30.035  10.964
  251   2HG   ARG  32           HG1      ARG  32  -0.975  31.703  11.526
  252   1HD   ARG  32           HD2      ARG  32   0.641  31.244  13.245
  253   2HD   ARG  32           HD1      ARG  32   0.506  29.495  12.984
  254    HE   ARG  32           HE       ARG  32   1.220  30.900  10.541
  255   1HH1  ARG  32          HH11      ARG  32   2.141  28.366  12.379
  256   2HH1  ARG  32          HH12      ARG  32   3.849  28.646  12.304
  257   1HH2  ARG  32          HH21      ARG  32   3.537  31.810  10.920
  258   2HH2  ARG  32          HH22      ARG  32   4.638  30.596  11.478
  259    H    TYR  33           HN       TYR  33  -4.664  28.801  12.831
  260    HA   TYR  33           HA       TYR  33  -5.040  27.359  15.397
  261   1HB   TYR  33           HB2      TYR  33  -4.787  29.924  15.656
  262   2HB   TYR  33           HB1      TYR  33  -6.366  30.003  14.889
  263    HD1  TYR  33           HD1      TYR  33  -8.194  30.115  16.310
  264    HD2  TYR  33           HD2      TYR  33  -4.689  27.970  17.566
  265    HE1  TYR  33           HE1      TYR  33  -9.293  29.583  18.468
  266    HE2  TYR  33           HE2      TYR  33  -5.790  27.438  19.724
  267    HH   TYR  33           HH       TYR  33  -8.862  27.477  20.275
  268    HA   PRO  34           HA       PRO  34  -8.421  25.907  12.936
  269   1HB   PRO  34           HB2      PRO  34  -9.912  24.639  14.845
  270   2HB   PRO  34           HB1      PRO  34  -8.398  23.983  14.204
  271   1HG   PRO  34           HG2      PRO  34  -8.948  25.256  16.798
  272   2HG   PRO  34           HG1      PRO  34  -7.720  24.062  16.359
  273   1HD   PRO  34           HD2      PRO  34  -7.329  26.810  16.721
  274   2HD   PRO  34           HD1      PRO  34  -6.173  25.670  16.008
  275    H    GLY  35           HN       GLY  35  -9.068  28.301  12.756
  276   1HA   GLY  35           HA2      GLY  35 -11.047  29.454  14.476
  277   2HA   GLY  35           HA1      GLY  35 -10.744  29.944  12.807
  278    H    ASP  36           HN       ASP  36 -11.230  27.231  11.762
  279    HA   ASP  36           HA       ASP  36 -14.060  26.642  12.398
  280   1HB   ASP  36           HB2      ASP  36 -13.045  27.831   9.801
  281   2HB   ASP  36           HB1      ASP  36 -14.602  27.013   9.923
  282    H    VAL  37           HN       VAL  37 -14.790  24.719  11.022
  283    HA   VAL  37           HA       VAL  37 -12.680  22.719  10.921
  284    HB   VAL  37           HB       VAL  37 -15.613  22.665  10.134
  285   1HG1  VAL  37          HG11      VAL  37 -14.183  20.820   9.177
  286   2HG1  VAL  37          HG12      VAL  37 -15.441  20.253  10.276
  287   3HG1  VAL  37          HG13      VAL  37 -13.769  20.359  10.828
  288   1HG2  VAL  37          HG21      VAL  37 -14.280  21.707  12.685
  289   2HG2  VAL  37          HG22      VAL  37 -16.010  21.795  12.355
  290   3HG2  VAL  37          HG23      VAL  37 -15.070  23.277  12.530
  291    H    LYS  38           HN       LYS  38 -11.322  22.677   9.191
  292    HA   LYS  38           HA       LYS  38 -12.137  23.714   6.556
  293   1HB   LYS  38           HB2      LYS  38  -9.963  24.241   7.517
  294   2HB   LYS  38           HB1      LYS  38  -9.593  22.531   7.714
  295   1HG   LYS  38           HG2      LYS  38  -9.603  22.224   5.281
  296   2HG   LYS  38           HG1      LYS  38 -10.041  23.918   5.052
  297   1HD   LYS  38           HD2      LYS  38  -7.953  24.673   5.952
  298   2HD   LYS  38           HD1      LYS  38  -7.550  23.061   6.542
  299   1HE   LYS  38           HE2      LYS  38  -7.452  22.243   4.191
  300   2HE   LYS  38           HE1      LYS  38  -7.772  23.896   3.627
  301   1HZ   LYS  38           HZ1      LYS  38  -5.391  23.491   3.749
  302   2HZ   LYS  38           HZ2      LYS  38  -5.524  23.060   5.387
  303   3HZ   LYS  38           HZ3      LYS  38  -5.848  24.654   4.896
  304    H    ARG  39           HN       ARG  39 -13.500  22.246   5.492
  305    HA   ARG  39           HA       ARG  39 -12.903  19.384   5.485
  306   1HB   ARG  39           HB2      ARG  39 -15.091  21.125   4.321
  307   2HB   ARG  39           HB1      ARG  39 -15.037  19.374   4.122
  308   1HG   ARG  39           HG2      ARG  39 -15.021  19.118   6.598
  309   2HG   ARG  39           HG1      ARG  39 -15.169  20.869   6.757
  310   1HD   ARG  39           HD2      ARG  39 -17.165  19.142   5.251
  311   2HD   ARG  39           HD1      ARG  39 -17.384  19.691   6.925
  312    HE   ARG  39           HE       ARG  39 -17.308  21.457   4.531
  313   1HH1  ARG  39          HH11      ARG  39 -15.993  22.826   6.808
  314   2HH1  ARG  39          HH12      ARG  39 -17.322  23.589   7.614
  315   1HH2  ARG  39          HH21      ARG  39 -19.731  21.643   6.053
  316   2HH2  ARG  39          HH22      ARG  39 -19.439  22.920   7.187
  317    H    GLY  40           HN       GLY  40 -11.330  21.735   3.995
  318   1HA   GLY  40           HA2      GLY  40 -11.676  21.361   1.201
  319   2HA   GLY  40           HA1      GLY  40 -10.181  21.916   1.960
  320    H    ILE  41           HN       ILE  41  -9.619  19.648   3.550
  321    HA   ILE  41           HA       ILE  41  -8.426  17.896   1.573
  322    HB   ILE  41           HB       ILE  41  -7.608  16.704   3.578
  323   1HG1  ILE  41          HG12      ILE  41  -9.353  18.614   5.171
  324   2HG1  ILE  41          HG11      ILE  41  -9.724  16.912   4.915
  325   1HG2  ILE  41          HG21      ILE  41  -6.754  18.904   4.788
  326   2HG2  ILE  41          HG22      ILE  41  -7.497  19.690   3.396
  327   3HG2  ILE  41          HG23      ILE  41  -6.216  18.503   3.158
  328   1HD1  ILE  41          HD11      ILE  41  -8.404  17.689   7.073
  329   2HD1  ILE  41          HD12      ILE  41  -7.024  17.623   5.978
  330   3HD1  ILE  41          HD13      ILE  41  -7.995  16.179   6.261
  331    H    VAL  42           HN       VAL  42 -11.199  17.648   3.785
  332    HA   VAL  42           HA       VAL  42 -11.898  14.920   3.136
  333    HB   VAL  42           HB       VAL  42 -13.411  17.295   4.220
  334   1HG1  VAL  42          HG11      VAL  42 -14.885  15.276   5.131
  335   2HG1  VAL  42          HG12      VAL  42 -14.303  14.499   3.659
  336   3HG1  VAL  42          HG13      VAL  42 -15.216  16.004   3.559
  337   1HG2  VAL  42          HG21      VAL  42 -12.732  14.886   5.832
  338   2HG2  VAL  42          HG22      VAL  42 -12.786  16.581   6.317
  339   3HG2  VAL  42          HG23      VAL  42 -11.408  15.969   5.402
  340    H    GLU  43           HN       GLU  43 -13.023  18.088   2.022
  341    HA   GLU  43           HA       GLU  43 -14.931  17.247   0.090
  342   1HB   GLU  43           HB2      GLU  43 -14.648  19.534   0.977
  343   2HB   GLU  43           HB1      GLU  43 -13.085  19.658   0.173
  344   1HG   GLU  43           HG2      GLU  43 -14.193  19.386  -2.020
  345   2HG   GLU  43           HG1      GLU  43 -15.755  19.267  -1.214
  346    H    GLN  44           HN       GLN  44 -11.414  17.505  -0.083
  347    HA   GLN  44           HA       GLN  44 -11.047  17.465  -2.904
  348   1HB   GLN  44           HB2      GLN  44  -9.304  17.921  -1.210
  349   2HB   GLN  44           HB1      GLN  44  -9.382  16.241  -0.676
  350   1HG   GLN  44           HG2      GLN  44  -8.685  15.490  -2.923
  351   2HG   GLN  44           HG1      GLN  44  -8.607  17.169  -3.459
  352   1HE2  GLN  44          HE21      GLN  44  -6.234  16.610  -3.874
  353   2HE2  GLN  44          HE22      GLN  44  -5.148  16.724  -2.574
  354    H    CYS  45           HN       CYS  45 -11.467  14.761  -0.599
  355    HA   CYS  45           HA       CYS  45 -11.119  12.711  -2.649
  356   1HB   CYS  45           HB2      CYS  45 -12.204  12.728   0.184
  357   2HB   CYS  45           HB1      CYS  45 -11.975  11.257  -0.760
  358    H    CYS  46           HN       CYS  46 -13.785  14.657  -1.503
  359    HA   CYS  46           HA       CYS  46 -15.946  12.916  -2.328
  360   1HB   CYS  46           HB2      CYS  46 -15.766  15.938  -2.027
  361   2HB   CYS  46           HB1      CYS  46 -17.264  15.013  -2.111
  362    H    THR  47           HN       THR  47 -14.128  15.534  -3.908
  363    HA   THR  47           HA       THR  47 -15.682  15.480  -6.371
  364    HB   THR  47           HB       THR  47 -13.817  16.947  -7.136
  365    HG1  THR  47           HG1      THR  47 -12.138  17.332  -5.631
  366   1HG2  THR  47          HG21      THR  47 -13.943  18.364  -4.776
  367   2HG2  THR  47          HG22      THR  47 -15.374  17.339  -4.672
  368   3HG2  THR  47          HG23      THR  47 -15.158  18.416  -6.052
  369    H    SER  48           HN       SER  48 -12.594  14.074  -5.296
  370    HA   SER  48           HA       SER  48 -12.663  12.256  -7.680
  371   1HB   SER  48           HB2      SER  48 -10.213  12.533  -7.794
  372   2HB   SER  48           HB1      SER  48 -11.010  14.100  -7.917
  373    HG   SER  48           HG       SER  48  -9.151  13.632  -6.309
  374    H    ILE  49           HN       ILE  49 -12.059  10.100  -7.207
  375    HA   ILE  49           HA       ILE  49 -12.374   9.198  -4.488
  376    HB   ILE  49           HB       ILE  49 -11.289   7.820  -6.970
  377   1HG1  ILE  49          HG12      ILE  49 -14.091   7.777  -5.810
  378   2HG1  ILE  49          HG11      ILE  49 -13.601   8.857  -7.116
  379   1HG2  ILE  49          HG21      ILE  49 -12.626   6.516  -4.594
  380   2HG2  ILE  49          HG22      ILE  49 -10.877   6.725  -4.672
  381   3HG2  ILE  49          HG23      ILE  49 -11.703   5.748  -5.885
  382   1HD1  ILE  49          HD11      ILE  49 -12.698   6.556  -8.150
  383   2HD1  ILE  49          HD12      ILE  49 -14.361   7.094  -8.388
  384   3HD1  ILE  49          HD13      ILE  49 -13.990   5.901  -7.144
  385    H    CYS  50           HN       CYS  50 -10.869   8.997  -2.904
  386    HA   CYS  50           HA       CYS  50  -8.024   9.593  -3.495
  387   1HB   CYS  50           HB2      CYS  50  -9.799   9.407  -1.061
  388   2HB   CYS  50           HB1      CYS  50  -8.044   9.469  -0.884
  389    H    SER  51           HN       SER  51  -6.323   8.125  -2.837
  390    HA   SER  51           HA       SER  51  -6.992   5.296  -3.152
  391   1HB   SER  51           HB2      SER  51  -4.587   5.052  -3.186
  392   2HB   SER  51           HB1      SER  51  -4.981   6.525  -4.065
  393    HG   SER  51           HG       SER  51  -4.471   7.701  -2.203
  394    H    LEU  52           HN       LEU  52  -7.026   3.736  -1.566
  395    HA   LEU  52           HA       LEU  52  -7.525   4.380   1.151
  396   1HB   LEU  52           HB2      LEU  52  -8.230   2.315  -0.019
  397   2HB   LEU  52           HB1      LEU  52  -6.546   1.803  -0.118
  398    HG   LEU  52           HG       LEU  52  -6.415   1.816   2.365
  399   1HD1  LEU  52          HD11      LEU  52  -8.763   1.852   3.495
  400   2HD1  LEU  52          HD12      LEU  52  -9.277   2.707   2.041
  401   3HD1  LEU  52          HD13      LEU  52  -8.019   3.394   3.068
  402   1HD2  LEU  52          HD21      LEU  52  -7.033  -0.255   1.136
  403   2HD2  LEU  52          HD22      LEU  52  -8.734   0.190   1.269
  404   3HD2  LEU  52          HD23      LEU  52  -7.805  -0.184   2.720
  405    H    TYR  53           HN       TYR  53  -4.534   3.538  -0.529
  406    HA   TYR  53           HA       TYR  53  -2.840   2.995   1.683
  407   1HB   TYR  53           HB2      TYR  53  -2.371   2.661  -0.746
  408   2HB   TYR  53           HB1      TYR  53  -2.197   4.403  -0.900
  409    HD1  TYR  53           HD1      TYR  53  -0.397   5.598   0.437
  410    HD2  TYR  53           HD2      TYR  53  -0.596   1.321   0.086
  411    HE1  TYR  53           HE1      TYR  53   1.971   5.427   1.158
  412    HE2  TYR  53           HE2      TYR  53   1.769   1.151   0.809
  413    HH   TYR  53           HH       TYR  53   3.369   3.277   2.384
  414    H    GLN  54           HN       GLN  54  -3.571   6.113   0.087
  415    HA   GLN  54           HA       GLN  54  -1.827   7.694   1.770
  416   1HB   GLN  54           HB2      GLN  54  -4.237   8.297   0.032
  417   2HB   GLN  54           HB1      GLN  54  -3.272   9.555   0.803
  418   1HG   GLN  54           HG2      GLN  54  -1.258   8.724  -0.355
  419   2HG   GLN  54           HG1      GLN  54  -2.224   7.468  -1.131
  420   1HE2  GLN  54          HE21      GLN  54  -2.243   8.178  -3.305
  421   2HE2  GLN  54          HE22      GLN  54  -2.808   9.701  -3.796
  422    H    LEU  55           HN       LEU  55  -5.299   6.892   1.894
  423    HA   LEU  55           HA       LEU  55  -6.058   8.590   4.052
  424   1HB   LEU  55           HB2      LEU  55  -7.011   5.867   3.112
  425   2HB   LEU  55           HB1      LEU  55  -7.876   6.837   4.303
  426    HG   LEU  55           HG       LEU  55  -7.150   7.834   1.538
  427   1HD1  LEU  55          HD11      LEU  55  -9.851   6.874   2.520
  428   2HD1  LEU  55          HD12      LEU  55  -8.761   5.885   1.549
  429   3HD1  LEU  55          HD13      LEU  55  -9.426   7.375   0.883
  430   1HD2  LEU  55          HD21      LEU  55  -7.585   9.772   2.689
  431   2HD2  LEU  55          HD22      LEU  55  -8.521   8.945   3.933
  432   3HD2  LEU  55          HD23      LEU  55  -9.258   9.311   2.373
  433    H    GLU  56           HN       GLU  56  -4.952   5.206   4.080
  434    HA   GLU  56           HA       GLU  56  -5.039   4.760   6.893
  435   1HB   GLU  56           HB2      GLU  56  -3.320   3.671   4.645
  436   2HB   GLU  56           HB1      GLU  56  -3.312   2.991   6.272
  437   1HG   GLU  56           HG2      GLU  56  -5.736   2.571   6.116
  438   2HG   GLU  56           HG1      GLU  56  -5.755   3.257   4.493
  439    H    ASN  57           HN       ASN  57  -2.463   6.070   4.817
  440    HA   ASN  57           HA       ASN  57  -0.381   6.200   6.764
  441   1HB   ASN  57           HB2      ASN  57  -0.110   6.455   4.324
  442   2HB   ASN  57           HB1      ASN  57  -1.002   7.974   4.377
  443   1HD2  ASN  57          HD21      ASN  57   0.508   9.628   4.103
  444   2HD2  ASN  57          HD22      ASN  57   1.996   9.728   4.914
  445    H    TYR  58           HN       TYR  58  -2.837   8.643   5.857
  446    HA   TYR  58           HA       TYR  58  -1.948  10.762   7.539
  447   1HB   TYR  58           HB2      TYR  58  -4.633   9.884   6.475
  448   2HB   TYR  58           HB1      TYR  58  -4.437  11.365   7.403
  449    HD1  TYR  58           HD1      TYR  58  -2.193  12.747   6.582
  450    HD2  TYR  58           HD2      TYR  58  -4.630  10.154   4.180
  451    HE1  TYR  58           HE1      TYR  58  -1.406  13.906   4.534
  452    HE2  TYR  58           HE2      TYR  58  -3.845  11.308   2.132
  453    HH   TYR  58           HH       TYR  58  -2.810  13.253   1.383
  454    H    CYS  59           HN       CYS  59  -4.159   8.060   8.207
  455    HA   CYS  59           HA       CYS  59  -4.624   8.966  10.977
  456   1HB   CYS  59           HB2      CYS  59  -6.354   7.972   9.449
  457   2HB   CYS  59           HB1      CYS  59  -5.465   6.450   9.505
  458    H    ASN  60           HN       ASN  60  -2.420   6.888   9.296
  459    HA   ASN  60           HA       ASN  60  -1.890   5.009  11.447
  460   1HB   ASN  60           HB2      ASN  60  -0.668   5.837   8.845
  461   2HB   ASN  60           HB1      ASN  60   0.330   4.904   9.960
  462   1HD2  ASN  60          HD21      ASN  60  -0.492   3.762   7.485
  463   2HD2  ASN  60          HD22      ASN  60  -1.599   2.514   7.797
  Start of MODEL   11
    1   1H    PHE   1           HT1      PHE   1 -17.476  -5.925  -2.600
    2   2H    PHE   1           HT2      PHE   1 -18.785  -4.913  -2.212
    3   3H    PHE   1           HT3      PHE   1 -17.223  -4.536  -1.660
    4    HA   PHE   1           HA       PHE   1 -16.468  -4.010  -3.844
    5   1HB   PHE   1           HB2      PHE   1 -17.717  -5.984  -4.773
    6   2HB   PHE   1           HB1      PHE   1 -19.195  -5.025  -4.706
    7    HD1  PHE   1           HD1      PHE   1 -15.940  -5.457  -6.370
    8    HD2  PHE   1           HD2      PHE   1 -19.545  -3.128  -6.208
    9    HE1  PHE   1           HE1      PHE   1 -15.380  -4.438  -8.561
   10    HE2  PHE   1           HE2      PHE   1 -18.985  -2.109  -8.398
   11    HZ   PHE   1           HZ       PHE   1 -16.903  -2.765  -9.575
   12    H    VAL   2           HN       VAL   2 -16.624  -1.917  -2.831
   13    HA   VAL   2           HA       VAL   2 -19.107  -0.420  -3.444
   14    HB   VAL   2           HB       VAL   2 -18.720   0.752  -1.293
   15   1HG1  VAL   2          HG11      VAL   2 -18.901  -2.264  -1.242
   16   2HG1  VAL   2          HG12      VAL   2 -20.224  -1.100  -1.159
   17   3HG1  VAL   2          HG13      VAL   2 -19.120  -1.280   0.205
   18   1HG2  VAL   2          HG21      VAL   2 -16.256   0.439  -1.227
   19   2HG2  VAL   2          HG22      VAL   2 -16.501  -1.282  -0.929
   20   3HG2  VAL   2          HG23      VAL   2 -17.023  -0.097   0.268
   21    H    ASN   3           HN       ASN   3 -18.706   1.923  -3.772
   22    HA   ASN   3           HA       ASN   3 -15.915   2.804  -4.157
   23   1HB   ASN   3           HB2      ASN   3 -16.301   3.233  -6.576
   24   2HB   ASN   3           HB1      ASN   3 -16.454   1.519  -6.195
   25   1HD2  ASN   3          HD21      ASN   3 -17.738   2.114  -8.476
   26   2HD2  ASN   3          HD22      ASN   3 -19.414   2.275  -8.260
   27    H    GLN   4           HN       GLN   4 -18.010   3.700  -2.460
   28    HA   GLN   4           HA       GLN   4 -19.293   6.067  -3.623
   29   1HB   GLN   4           HB2      GLN   4 -18.947   5.147  -0.754
   30   2HB   GLN   4           HB1      GLN   4 -20.109   6.339  -1.320
   31   1HG   GLN   4           HG2      GLN   4 -21.197   4.627  -2.729
   32   2HG   GLN   4           HG1      GLN   4 -20.037   3.422  -2.160
   33   1HE2  GLN   4          HE21      GLN   4 -23.109   3.821  -1.730
   34   2HE2  GLN   4          HE22      GLN   4 -23.288   3.654  -0.051
   35    H    HIS   5           HN       HIS   5 -18.845   8.255  -2.785
   36    HA   HIS   5           HA       HIS   5 -15.982   8.833  -2.597
   37   1HB   HIS   5           HB2      HIS   5 -18.543  10.449  -2.503
   38   2HB   HIS   5           HB1      HIS   5 -16.955  11.198  -2.337
   39    HD1  HIS   5           HD1      HIS   5 -15.665  11.638  -4.446
   40    HD2  HIS   5           HD2      HIS   5 -18.883   9.067  -5.090
   41    HE1  HIS   5           HE1      HIS   5 -15.827  11.307  -6.951
   42    H    LEU   6           HN       LEU   6 -14.852   9.014  -0.683
   43    HA   LEU   6           HA       LEU   6 -16.272   8.731   1.858
   44   1HB   LEU   6           HB2      LEU   6 -13.371   8.931   1.018
   45   2HB   LEU   6           HB1      LEU   6 -13.868   8.746   2.702
   46    HG   LEU   6           HG       LEU   6 -14.726   6.863   0.495
   47   1HD1  LEU   6          HD11      LEU   6 -13.016   5.344   1.211
   48   2HD1  LEU   6          HD12      LEU   6 -12.603   6.362   2.590
   49   3HD1  LEU   6          HD13      LEU   6 -12.220   6.897   0.953
   50   1HD2  LEU   6          HD21      LEU   6 -16.245   6.497   2.188
   51   2HD2  LEU   6          HD22      LEU   6 -15.149   7.083   3.439
   52   3HD2  LEU   6          HD23      LEU   6 -14.940   5.464   2.771
   53    H    CYS   7           HN       CYS   7 -17.420  10.777   1.808
   54    HA   CYS   7           HA       CYS   7 -15.809  13.026   2.879
   55   1HB   CYS   7           HB2      CYS   7 -16.757  12.800   0.168
   56   2HB   CYS   7           HB1      CYS   7 -17.667  14.083   0.960
   57    H    GLY   8           HN       GLY   8 -17.574  14.899   3.340
   58   1HA   GLY   8           HA2      GLY   8 -19.392  15.500   4.696
   59   2HA   GLY   8           HA1      GLY   8 -20.304  14.349   3.714
   60    H    SER   9           HN       SER   9 -21.479  13.241   5.319
   61    HA   SER   9           HA       SER   9 -20.331  12.523   7.899
   62   1HB   SER   9           HB2      SER   9 -22.493  11.486   8.235
   63   2HB   SER   9           HB1      SER   9 -22.753  12.985   7.347
   64    HG   SER   9           HG       SER   9 -23.117  11.856   5.527
   65    H    HIS  10           HN       HIS  10 -20.558  10.963   4.768
   66    HA   HIS  10           HA       HIS  10 -20.214   8.230   5.527
   67   1HB   HIS  10           HB2      HIS  10 -19.599   9.906   3.099
   68   2HB   HIS  10           HB1      HIS  10 -19.173   8.195   3.132
   69    HD1  HIS  10           HD1      HIS  10 -22.125  10.515   3.098
   70    HD2  HIS  10           HD2      HIS  10 -21.393   6.411   3.104
   71    HE1  HIS  10           HE1      HIS  10 -24.333   9.393   2.571
   72    H    LEU  11           HN       LEU  11 -17.844  10.810   4.934
   73    HA   LEU  11           HA       LEU  11 -15.462   9.253   4.921
   74   1HB   LEU  11           HB2      LEU  11 -15.665  11.621   4.278
   75   2HB   LEU  11           HB1      LEU  11 -16.015  12.062   5.946
   76    HG   LEU  11           HG       LEU  11 -13.520  10.509   5.529
   77   1HD1  LEU  11          HD11      LEU  11 -13.972  12.521   3.705
   78   2HD1  LEU  11          HD12      LEU  11 -12.378  12.003   4.246
   79   3HD1  LEU  11          HD13      LEU  11 -13.157  13.392   5.002
   80   1HD2  LEU  11          HD21      LEU  11 -14.103  13.088   7.022
   81   2HD2  LEU  11          HD22      LEU  11 -12.707  12.035   7.241
   82   3HD2  LEU  11          HD23      LEU  11 -14.311  11.482   7.718
   83    H    VAL  12           HN       VAL  12 -17.015  10.930   7.700
   84    HA   VAL  12           HA       VAL  12 -15.142  10.043   9.676
   85    HB   VAL  12           HB       VAL  12 -18.058  10.878   9.792
   86   1HG1  VAL  12          HG11      VAL  12 -17.484  11.431  12.214
   87   2HG1  VAL  12          HG12      VAL  12 -16.041  10.438  12.009
   88   3HG1  VAL  12          HG13      VAL  12 -17.641   9.713  11.848
   89   1HG2  VAL  12          HG21      VAL  12 -15.587  12.449  10.547
   90   2HG2  VAL  12          HG22      VAL  12 -17.217  13.059  10.264
   91   3HG2  VAL  12          HG23      VAL  12 -16.250  12.467   8.913
   92    H    GLU  13           HN       GLU  13 -18.324   8.739   8.742
   93    HA   GLU  13           HA       GLU  13 -18.413   6.555  10.548
   94   1HB   GLU  13           HB2      GLU  13 -19.541   7.026   7.780
   95   2HB   GLU  13           HB1      GLU  13 -20.005   5.647   8.777
   96   1HG   GLU  13           HG2      GLU  13 -20.748   7.182  10.561
   97   2HG   GLU  13           HG1      GLU  13 -20.287   8.563   9.568
   98    H    ALA  14           HN       ALA  14 -17.087   6.749   7.255
   99    HA   ALA  14           HA       ALA  14 -16.395   3.992   6.973
  100   1HB   ALA  14           HB1      ALA  14 -16.579   5.520   5.097
  101   2HB   ALA  14           HB2      ALA  14 -14.922   4.919   5.156
  102   3HB   ALA  14           HB3      ALA  14 -15.295   6.537   5.751
  103    H    LEU  15           HN       LEU  15 -14.512   6.783   8.156
  104    HA   LEU  15           HA       LEU  15 -11.982   5.505   8.421
  105   1HB   LEU  15           HB2      LEU  15 -13.358   7.751   9.917
  106   2HB   LEU  15           HB1      LEU  15 -11.655   7.352  10.147
  107    HG   LEU  15           HG       LEU  15 -12.847   7.933   7.426
  108   1HD1  LEU  15          HD11      LEU  15 -11.990  10.192   7.629
  109   2HD1  LEU  15          HD12      LEU  15 -11.299   9.834   9.211
  110   3HD1  LEU  15          HD13      LEU  15 -13.050   9.887   9.005
  111   1HD2  LEU  15          HD21      LEU  15 -10.350   8.458   7.035
  112   2HD2  LEU  15          HD22      LEU  15 -10.794   6.761   7.211
  113   3HD2  LEU  15          HD23      LEU  15 -10.065   7.627   8.564
  114    H    TYR  16           HN       TYR  16 -14.557   5.909  10.888
  115    HA   TYR  16           HA       TYR  16 -13.255   4.532  13.014
  116   1HB   TYR  16           HB2      TYR  16 -16.043   5.251  12.224
  117   2HB   TYR  16           HB1      TYR  16 -15.848   4.084  13.530
  118    HD1  TYR  16           HD1      TYR  16 -14.786   4.701  15.633
  119    HD2  TYR  16           HD2      TYR  16 -15.263   7.565  12.470
  120    HE1  TYR  16           HE1      TYR  16 -14.277   6.536  17.219
  121    HE2  TYR  16           HE2      TYR  16 -14.753   9.402  14.056
  122    HH   TYR  16           HH       TYR  16 -15.015   9.586  16.795
  123    H    LEU  17           HN       LEU  17 -15.604   3.274  10.629
  124    HA   LEU  17           HA       LEU  17 -15.574   0.584  11.582
  125   1HB   LEU  17           HB2      LEU  17 -16.314   1.869   8.973
  126   2HB   LEU  17           HB1      LEU  17 -16.660   0.184   9.340
  127    HG   LEU  17           HG       LEU  17 -17.532   2.435  11.160
  128   1HD1  LEU  17          HD11      LEU  17 -18.461   2.673   8.810
  129   2HD1  LEU  17          HD12      LEU  17 -19.675   2.454  10.070
  130   3HD1  LEU  17          HD13      LEU  17 -19.226   1.100   9.033
  131   1HD2  LEU  17          HD21      LEU  17 -18.799  -0.277  10.768
  132   2HD2  LEU  17          HD22      LEU  17 -18.918   0.802  12.158
  133   3HD2  LEU  17          HD23      LEU  17 -17.419  -0.071  11.846
  134    H    VAL  18           HN       VAL  18 -13.728   2.163   8.963
  135    HA   VAL  18           HA       VAL  18 -12.480  -0.285   8.046
  136    HB   VAL  18           HB       VAL  18 -11.761   2.623   7.729
  137   1HG1  VAL  18          HG11      VAL  18 -10.892   0.209   6.115
  138   2HG1  VAL  18          HG12      VAL  18  -9.860   1.130   7.209
  139   3HG1  VAL  18          HG13      VAL  18 -10.491   1.887   5.747
  140   1HG2  VAL  18          HG21      VAL  18 -13.181   2.687   5.898
  141   2HG2  VAL  18          HG22      VAL  18 -14.051   1.541   6.917
  142   3HG2  VAL  18          HG23      VAL  18 -13.034   0.954   5.602
  143    H    CYS  19           HN       CYS  19 -11.101   2.518   9.766
  144    HA   CYS  19           HA       CYS  19  -8.710   1.033  10.541
  145   1HB   CYS  19           HB2      CYS  19  -9.845   3.745  11.170
  146   2HB   CYS  19           HB1      CYS  19  -8.272   3.211  11.753
  147    H    GLY  20           HN       GLY  20 -11.184   2.705  12.521
  148   1HA   GLY  20           HA2      GLY  20 -12.168   2.097  14.554
  149   2HA   GLY  20           HA1      GLY  20 -11.621   0.454  14.247
  150    H    GLU  21           HN       GLU  21  -9.380   3.159  14.336
  151    HA   GLU  21           HA       GLU  21  -8.453   2.307  17.027
  152   1HB   GLU  21           HB2      GLU  21  -6.874   2.573  14.462
  153   2HB   GLU  21           HB1      GLU  21  -6.109   2.474  16.048
  154   1HG   GLU  21           HG2      GLU  21  -7.220   0.308  16.453
  155   2HG   GLU  21           HG1      GLU  21  -7.985   0.403  14.868
  156    H    ARG  22           HN       ARG  22  -7.263   3.963  18.167
  157    HA   ARG  22           HA       ARG  22  -7.878   6.701  17.231
  158   1HB   ARG  22           HB2      ARG  22  -7.171   5.456  19.892
  159   2HB   ARG  22           HB1      ARG  22  -7.343   7.198  19.669
  160   1HG   ARG  22           HG2      ARG  22  -9.642   6.872  18.842
  161   2HG   ARG  22           HG1      ARG  22  -9.477   5.131  19.067
  162   1HD   ARG  22           HD2      ARG  22  -9.107   5.485  21.498
  163   2HD   ARG  22           HD1      ARG  22  -9.333   7.231  21.260
  164    HE   ARG  22           HE       ARG  22 -11.588   6.366  20.120
  165   1HH1  ARG  22          HH11      ARG  22 -11.522   7.122  23.074
  166   2HH1  ARG  22          HH12      ARG  22 -12.290   5.743  23.787
  167   1HH2  ARG  22          HH21      ARG  22 -11.921   3.750  20.973
  168   2HH2  ARG  22          HH22      ARG  22 -12.516   3.833  22.598
  169    H    GLY  23           HN       GLY  23  -5.357   4.721  16.725
  170   1HA   GLY  23           HA2      GLY  23  -3.067   6.046  17.769
  171   2HA   GLY  23           HA1      GLY  23  -3.075   5.061  16.305
  172    H    PHE  24           HN       PHE  24  -4.762   6.492  14.654
  173    HA   PHE  24           HA       PHE  24  -3.059   8.749  13.905
  174   1HB   PHE  24           HB2      PHE  24  -4.523   8.831  11.938
  175   2HB   PHE  24           HB1      PHE  24  -4.065   7.167  12.273
  176    HD1  PHE  24           HD1      PHE  24  -6.817   9.626  12.354
  177    HD2  PHE  24           HD2      PHE  24  -5.699   5.540  13.069
  178    HE1  PHE  24           HE1      PHE  24  -9.211   8.982  12.433
  179    HE2  PHE  24           HE2      PHE  24  -8.091   4.901  13.157
  180    HZ   PHE  24           HZ       PHE  24  -9.847   6.620  12.838
  181    H    PHE  25           HN       PHE  25  -3.355  10.793  14.604
  182    HA   PHE  25           HA       PHE  25  -5.686  11.510  16.199
  183   1HB   PHE  25           HB2      PHE  25  -4.419  13.678  16.434
  184   2HB   PHE  25           HB1      PHE  25  -3.515  12.250  16.924
  185    HD1  PHE  25           HD1      PHE  25  -1.449  11.729  15.932
  186    HD2  PHE  25           HD2      PHE  25  -4.044  14.585  14.045
  187    HE1  PHE  25           HE1      PHE  25   0.347  12.291  14.319
  188    HE2  PHE  25           HE2      PHE  25  -2.245  15.148  12.431
  189    HZ   PHE  25           HZ       PHE  25  -0.051  14.001  12.568
  190    H    TYR  26           HN       TYR  26  -4.831  11.821  12.868
  191    HA   TYR  26           HA       TYR  26  -5.824  13.009  11.077
  192   1HB   TYR  26           HB2      TYR  26  -7.655  11.571  12.376
  193   2HB   TYR  26           HB1      TYR  26  -8.316  13.168  12.727
  194    HD1  TYR  26           HD1      TYR  26  -8.326  14.820  10.609
  195    HD2  TYR  26           HD2      TYR  26  -8.354  10.529  10.417
  196    HE1  TYR  26           HE1      TYR  26  -9.285  14.931   8.327
  197    HE2  TYR  26           HE2      TYR  26  -9.316  10.638   8.134
  198    HH   TYR  26           HH       TYR  26 -10.762  12.423   6.836
  199    H    THR  27           HN       THR  27  -4.416  14.925  11.866
  200    HA   THR  27           HA       THR  27  -6.152  17.278  12.245
  201    HB   THR  27           HB       THR  27  -3.819  16.684  14.082
  202    HG1  THR  27           HG1      THR  27  -6.591  16.201  14.405
  203   1HG2  THR  27          HG21      THR  27  -6.113  18.659  14.209
  204   2HG2  THR  27          HG22      THR  27  -4.415  19.042  13.927
  205   3HG2  THR  27          HG23      THR  27  -4.930  18.411  15.492
  206    HA   PRO  28           HA       PRO  28  -3.086  18.870   9.471
  207   1HB   PRO  28           HB2      PRO  28  -3.420  21.565   9.871
  208   2HB   PRO  28           HB1      PRO  28  -4.540  20.575   8.913
  209   1HG   PRO  28           HG2      PRO  28  -4.776  21.498  11.739
  210   2HG   PRO  28           HG1      PRO  28  -6.010  21.425  10.469
  211   1HD   PRO  28           HD2      PRO  28  -5.843  19.571  12.418
  212   2HD   PRO  28           HD1      PRO  28  -6.386  19.172  10.775
  213    H    LYS  29           HN       LYS  29  -1.400  20.996   9.765
  214    HA   LYS  29           HA       LYS  29   0.484  20.064  11.716
  215   1HB   LYS  29           HB2      LYS  29   1.879  21.826  10.813
  216   2HB   LYS  29           HB1      LYS  29   0.965  21.111   9.489
  217   1HG   LYS  29           HG2      LYS  29  -0.721  22.973   9.755
  218   2HG   LYS  29           HG1      LYS  29   0.385  23.728  10.904
  219   1HD   LYS  29           HD2      LYS  29   2.165  23.630   9.102
  220   2HD   LYS  29           HD1      LYS  29   0.896  23.140   7.978
  221   1HE   LYS  29           HE2      LYS  29  -0.356  25.273   8.898
  222   2HE   LYS  29           HE1      LYS  29   1.280  25.786   9.353
  223   1HZ   LYS  29           HZ1      LYS  29   0.975  26.498   7.138
  224   2HZ   LYS  29           HZ2      LYS  29   0.299  25.014   6.662
  225   3HZ   LYS  29           HZ3      LYS  29   1.954  25.117   7.036
  226    H    THR  30           HN       THR  30  -1.784  22.816  11.724
  227    HA   THR  30           HA       THR  30  -1.499  23.036  14.625
  228    HB   THR  30           HB       THR  30  -0.549  25.203  12.725
  229    HG1  THR  30           HG1      THR  30   1.390  24.639  13.369
  230   1HG2  THR  30          HG21      THR  30  -1.664  26.334  14.513
  231   2HG2  THR  30          HG22      THR  30   0.055  26.386  14.898
  232   3HG2  THR  30          HG23      THR  30  -0.998  25.231  15.716
  233    H    ARG  31           HN       ARG  31  -2.431  25.721  12.491
  234    HA   ARG  31           HA       ARG  31  -4.491  26.838  12.258
  235   1HB   ARG  31           HB2      ARG  31  -5.226  23.912  12.289
  236   2HB   ARG  31           HB1      ARG  31  -6.409  25.176  11.951
  237   1HG   ARG  31           HG2      ARG  31  -3.798  25.082  10.453
  238   2HG   ARG  31           HG1      ARG  31  -5.168  24.096   9.938
  239   1HD   ARG  31           HD2      ARG  31  -6.574  26.081   9.697
  240   2HD   ARG  31           HD1      ARG  31  -5.280  27.108  10.343
  241    HE   ARG  31           HE       ARG  31  -4.250  27.007   8.224
  242   1HH1  ARG  31          HH11      ARG  31  -6.922  26.190   7.046
  243   2HH1  ARG  31          HH12      ARG  31  -6.490  24.756   6.176
  244   1HH2  ARG  31          HH21      ARG  31  -3.459  24.359   7.812
  245   2HH2  ARG  31          HH22      ARG  31  -4.529  23.719   6.610
  246    H    ARG  32           HN       ARG  32  -3.563  26.667  14.985
  247    HA   ARG  32           HA       ARG  32  -5.832  25.956  16.675
  248   1HB   ARG  32           HB2      ARG  32  -3.138  27.254  17.090
  249   2HB   ARG  32           HB1      ARG  32  -4.288  27.035  18.411
  250   1HG   ARG  32           HG2      ARG  32  -3.379  24.766  16.625
  251   2HG   ARG  32           HG1      ARG  32  -2.595  25.167  18.150
  252   1HD   ARG  32           HD2      ARG  32  -4.824  24.917  19.299
  253   2HD   ARG  32           HD1      ARG  32  -5.482  24.319  17.764
  254    HE   ARG  32           HE       ARG  32  -4.039  22.386  17.934
  255   1HH1  ARG  32          HH21      ARG  32  -5.098  22.920  20.829
  256   2HH1  ARG  32          HH22      ARG  32  -3.658  22.586  21.732
  257   1HH2  ARG  32          HH11      ARG  32  -1.576  22.688  18.962
  258   2HH2  ARG  32          HH12      ARG  32  -1.666  22.456  20.676
  259    H    TYR  33           HN       TYR  33  -7.355  27.436  15.470
  260    HA   TYR  33           HA       TYR  33  -7.356  30.148  16.686
  261   1HB   TYR  33           HB2      TYR  33  -7.261  29.377  13.770
  262   2HB   TYR  33           HB1      TYR  33  -7.953  30.912  14.276
  263    HD1  TYR  33           HD1      TYR  33  -6.441  32.223  16.084
  264    HD2  TYR  33           HD2      TYR  33  -5.004  29.349  13.234
  265    HE1  TYR  33           HE1      TYR  33  -4.164  33.189  16.258
  266    HE2  TYR  33           HE2      TYR  33  -2.726  30.312  13.408
  267    HH   TYR  33           HH       TYR  33  -2.018  33.042  15.596
  268    HA   PRO  34           HA       PRO  34 -11.669  29.101  16.736
  269   1HB   PRO  34           HB2      PRO  34 -12.720  31.530  17.407
  270   2HB   PRO  34           HB1      PRO  34 -11.835  30.512  18.558
  271   1HG   PRO  34           HG2      PRO  34 -10.994  32.984  17.207
  272   2HG   PRO  34           HG1      PRO  34 -10.445  32.286  18.734
  273   1HD   PRO  34           HD2      PRO  34  -9.118  32.189  16.239
  274   2HD   PRO  34           HD1      PRO  34  -8.671  31.329  17.727
  275    H    GLY  35           HN       GLY  35 -13.340  29.064  15.225
  276   1HA   GLY  35           HA2      GLY  35 -14.745  29.903  13.487
  277   2HA   GLY  35           HA1      GLY  35 -13.681  31.298  13.330
  278    H    ASP  36           HN       ASP  36 -12.189  28.150  13.369
  279    HA   ASP  36           HA       ASP  36 -11.141  28.558  10.671
  280   1HB   ASP  36           HB2      ASP  36 -10.961  26.348  12.738
  281   2HB   ASP  36           HB1      ASP  36 -10.102  26.294  11.200
  282    H    VAL  37           HN       VAL  37 -11.588  27.232   8.845
  283    HA   VAL  37           HA       VAL  37 -13.672  25.165   8.969
  284    HB   VAL  37           HB       VAL  37 -13.974  27.755   7.398
  285   1HG1  VAL  37          HG11      VAL  37 -16.308  26.711   6.978
  286   2HG1  VAL  37          HG12      VAL  37 -15.554  25.185   7.438
  287   3HG1  VAL  37          HG13      VAL  37 -14.951  26.081   6.045
  288   1HG2  VAL  37          HG21      VAL  37 -14.582  28.201   9.663
  289   2HG2  VAL  37          HG22      VAL  37 -15.391  26.643   9.829
  290   3HG2  VAL  37          HG23      VAL  37 -16.102  27.902   8.820
  291    H    LYS  38           HN       LYS  38 -11.342  24.321   8.341
  292    HA   LYS  38           HA       LYS  38 -11.310  23.908   5.422
  293   1HB   LYS  38           HB2      LYS  38 -10.166  26.073   5.764
  294   2HB   LYS  38           HB1      LYS  38  -9.076  25.317   6.925
  295   1HG   LYS  38           HG2      LYS  38  -7.954  25.469   4.771
  296   2HG   LYS  38           HG1      LYS  38  -8.296  23.774   5.120
  297   1HD   LYS  38           HD2      LYS  38 -10.199  23.772   3.649
  298   2HD   LYS  38           HD1      LYS  38 -10.119  25.524   3.453
  299   1HE   LYS  38           HE2      LYS  38  -8.337  25.416   1.986
  300   2HE   LYS  38           HE1      LYS  38  -7.677  23.949   2.735
  301   1HZ   LYS  38           HZ1      LYS  38 -10.272  23.988   1.300
  302   2HZ   LYS  38           HZ2      LYS  38  -9.367  22.634   1.787
  303   3HZ   LYS  38           HZ3      LYS  38  -8.810  23.623   0.522
  304    H    ARG  39           HN       ARG  39  -9.787  22.154   4.853
  305    HA   ARG  39           HA       ARG  39  -8.364  20.772   7.019
  306   1HB   ARG  39           HB2      ARG  39 -10.780  19.649   5.571
  307   2HB   ARG  39           HB1      ARG  39  -9.660  18.643   6.486
  308   1HG   ARG  39           HG2      ARG  39 -10.118  20.101   8.496
  309   2HG   ARG  39           HG1      ARG  39 -11.381  20.895   7.557
  310   1HD   ARG  39           HD2      ARG  39 -12.505  19.188   8.800
  311   2HD   ARG  39           HD1      ARG  39 -12.340  18.531   7.161
  312    HE   ARG  39           HE       ARG  39  -9.993  17.764   8.448
  313   1HH1  ARG  39          HH11      ARG  39 -12.978  16.515   7.823
  314   2HH1  ARG  39          HH12      ARG  39 -13.023  15.409   9.155
  315   1HH2  ARG  39          HH21      ARG  39 -10.211  16.732  10.694
  316   2HH2  ARG  39          HH22      ARG  39 -11.457  15.531  10.779
  317    H    GLY  40           HN       GLY  40  -9.541  20.590   3.665
  318   1HA   GLY  40           HA2      GLY  40  -8.158  20.416   1.717
  319   2HA   GLY  40           HA1      GLY  40  -6.800  19.969   2.749
  320    H    ILE  41           HN       ILE  41  -7.847  17.854   4.179
  321    HA   ILE  41           HA       ILE  41  -7.581  15.652   2.377
  322    HB   ILE  41           HB       ILE  41  -8.785  15.839   5.161
  323   1HG1  ILE  41          HG12      ILE  41  -5.969  15.087   4.327
  324   2HG1  ILE  41          HG11      ILE  41  -6.422  16.720   4.809
  325   1HG2  ILE  41          HG21      ILE  41  -8.357  13.592   3.325
  326   2HG2  ILE  41          HG22      ILE  41  -9.271  13.650   4.830
  327   3HG2  ILE  41          HG23      ILE  41  -7.532  13.366   4.868
  328   1HD1  ILE  41          HD11      ILE  41  -5.494  15.448   6.717
  329   2HD1  ILE  41          HD12      ILE  41  -6.760  14.236   6.517
  330   3HD1  ILE  41          HD13      ILE  41  -7.181  15.881   6.994
  331    H    VAL  42           HN       VAL  42 -10.468  17.037   3.955
  332    HA   VAL  42           HA       VAL  42 -12.402  15.264   2.835
  333    HB   VAL  42           HB       VAL  42 -12.494  18.133   3.753
  334   1HG1  VAL  42          HG11      VAL  42 -14.657  16.335   2.751
  335   2HG1  VAL  42          HG12      VAL  42 -14.491  18.081   2.583
  336   3HG1  VAL  42          HG13      VAL  42 -15.021  17.389   4.116
  337   1HG2  VAL  42          HG21      VAL  42 -12.665  15.470   5.038
  338   2HG2  VAL  42          HG22      VAL  42 -13.822  16.670   5.613
  339   3HG2  VAL  42          HG23      VAL  42 -12.093  17.002   5.698
  340    H    GLU  43           HN       GLU  43 -11.103  18.357   1.676
  341    HA   GLU  43           HA       GLU  43 -12.700  18.655  -0.660
  342   1HB   GLU  43           HB2      GLU  43  -9.920  19.510   0.156
  343   2HB   GLU  43           HB1      GLU  43 -10.601  19.980  -1.400
  344   1HG   GLU  43           HG2      GLU  43 -11.255  21.778  -0.087
  345   2HG   GLU  43           HG1      GLU  43 -12.659  20.729   0.074
  346    H    GLN  44           HN       GLN  44  -9.639  16.948  -0.119
  347    HA   GLN  44           HA       GLN  44  -9.007  16.252  -2.802
  348   1HB   GLN  44           HB2      GLN  44  -7.547  16.069  -0.798
  349   2HB   GLN  44           HB1      GLN  44  -8.531  14.725  -0.222
  350   1HG   GLN  44           HG2      GLN  44  -7.964  13.431  -2.240
  351   2HG   GLN  44           HG1      GLN  44  -6.992  14.778  -2.834
  352   1HE2  GLN  44          HE21      GLN  44  -6.179  11.954  -1.933
  353   2HE2  GLN  44          HE22      GLN  44  -4.966  12.221  -0.777
  354    H    CYS  45           HN       CYS  45 -10.928  14.412  -0.385
  355    HA   CYS  45           HA       CYS  45 -11.517  12.268  -2.303
  356   1HB   CYS  45           HB2      CYS  45 -12.611  12.925   0.451
  357   2HB   CYS  45           HB1      CYS  45 -12.839  11.398  -0.394
  358    H    CYS  46           HN       CYS  46 -13.139  15.176  -1.141
  359    HA   CYS  46           HA       CYS  46 -15.805  14.531  -1.980
  360   1HB   CYS  46           HB2      CYS  46 -14.199  16.947  -1.298
  361   2HB   CYS  46           HB1      CYS  46 -15.708  17.220  -2.166
  362    H    THR  47           HN       THR  47 -13.092  16.065  -3.700
  363    HA   THR  47           HA       THR  47 -14.601  16.620  -6.126
  364    HB   THR  47           HB       THR  47 -11.614  16.355  -5.640
  365    HG1  THR  47           HG1      THR  47 -13.344  18.596  -5.459
  366   1HG2  THR  47          HG21      THR  47 -13.250  17.757  -7.769
  367   2HG2  THR  47          HG22      THR  47 -12.118  16.425  -8.005
  368   3HG2  THR  47          HG23      THR  47 -11.522  18.016  -7.530
  369    H    SER  48           HN       SER  48 -12.178  14.137  -5.246
  370    HA   SER  48           HA       SER  48 -13.266  12.399  -7.438
  371   1HB   SER  48           HB2      SER  48 -10.407  12.948  -6.589
  372   2HB   SER  48           HB1      SER  48 -10.860  11.666  -7.708
  373    HG   SER  48           HG       SER  48 -10.953  13.128  -9.200
  374    H    ILE  49           HN       ILE  49 -12.924  10.057  -6.988
  375    HA   ILE  49           HA       ILE  49 -13.522   9.375  -4.232
  376    HB   ILE  49           HB       ILE  49 -12.756   7.682  -6.640
  377   1HG1  ILE  49          HG12      ILE  49 -15.506   8.355  -5.553
  378   2HG1  ILE  49          HG11      ILE  49 -14.749   9.219  -6.891
  379   1HG2  ILE  49          HG21      ILE  49 -14.446   6.802  -4.304
  380   2HG2  ILE  49          HG22      ILE  49 -12.690   6.666  -4.235
  381   3HG2  ILE  49          HG23      ILE  49 -13.592   5.807  -5.483
  382   1HD1  ILE  49          HD11      ILE  49 -15.917   7.623  -8.084
  383   2HD1  ILE  49          HD12      ILE  49 -15.799   6.423  -6.797
  384   3HD1  ILE  49          HD13      ILE  49 -14.405   6.752  -7.827
  385    H    CYS  50           HN       CYS  50 -12.019   9.148  -2.630
  386    HA   CYS  50           HA       CYS  50  -9.161   9.114  -3.164
  387   1HB   CYS  50           HB2      CYS  50 -10.997   8.975  -0.793
  388   2HB   CYS  50           HB1      CYS  50  -9.293   8.576  -0.570
  389    H    SER  51           HN       SER  51  -7.772   7.355  -3.153
  390    HA   SER  51           HA       SER  51  -8.932   4.692  -3.496
  391   1HB   SER  51           HB2      SER  51  -6.613   4.123  -4.035
  392   2HB   SER  51           HB1      SER  51  -7.040   5.643  -4.813
  393    HG   SER  51           HG       SER  51  -5.214   5.108  -2.838
  394    H    LEU  52           HN       LEU  52  -8.009   2.813  -2.282
  395    HA   LEU  52           HA       LEU  52  -8.404   2.980   0.520
  396   1HB   LEU  52           HB2      LEU  52  -8.584   0.936  -0.854
  397   2HB   LEU  52           HB1      LEU  52  -6.847   0.977  -1.150
  398    HG   LEU  52           HG       LEU  52  -6.458   0.779   1.306
  399   1HD1  LEU  52          HD11      LEU  52  -9.408   1.038   1.283
  400   2HD1  LEU  52          HD12      LEU  52  -8.250   1.464   2.543
  401   3HD1  LEU  52          HD13      LEU  52  -8.779  -0.208   2.360
  402   1HD2  LEU  52          HD21      LEU  52  -7.418  -1.613   1.468
  403   2HD2  LEU  52          HD22      LEU  52  -6.335  -1.275   0.118
  404   3HD2  LEU  52          HD23      LEU  52  -8.079  -1.323  -0.141
  405    H    TYR  53           HN       TYR  53  -5.440   3.123  -1.421
  406    HA   TYR  53           HA       TYR  53  -3.512   2.987   0.658
  407   1HB   TYR  53           HB2      TYR  53  -3.050   2.806  -1.746
  408   2HB   TYR  53           HB1      TYR  53  -3.492   4.494  -1.951
  409    HD1  TYR  53           HD1      TYR  53  -2.050   6.296  -1.168
  410    HD2  TYR  53           HD2      TYR  53  -0.959   2.179  -0.615
  411    HE1  TYR  53           HE1      TYR  53   0.258   6.988  -0.585
  412    HE2  TYR  53           HE2      TYR  53   1.351   2.871  -0.033
  413    HH   TYR  53           HH       TYR  53   2.691   5.599  -0.758
  414    H    GLN  54           HN       GLN  54  -5.276   5.815  -0.649
  415    HA   GLN  54           HA       GLN  54  -3.854   7.788   0.899
  416   1HB   GLN  54           HB2      GLN  54  -6.615   7.679  -0.356
  417   2HB   GLN  54           HB1      GLN  54  -5.949   9.139   0.375
  418   1HG   GLN  54           HG2      GLN  54  -4.029   9.044  -1.172
  419   2HG   GLN  54           HG1      GLN  54  -4.694   7.585  -1.907
  420   1HE2  GLN  54          HE21      GLN  54  -5.040   8.606  -3.998
  421   2HE2  GLN  54          HE22      GLN  54  -6.234   9.791  -4.226
  422    H    LEU  55           HN       LEU  55  -6.808   5.886   1.503
  423    HA   LEU  55           HA       LEU  55  -7.576   7.114   3.969
  424   1HB   LEU  55           HB2      LEU  55  -7.893   4.304   2.871
  425   2HB   LEU  55           HB1      LEU  55  -8.760   4.910   4.282
  426    HG   LEU  55           HG       LEU  55  -8.851   6.248   1.568
  427   1HD1  LEU  55          HD11      LEU  55 -10.651   4.971   0.964
  428   2HD1  LEU  55          HD12      LEU  55 -11.219   4.800   2.624
  429   3HD1  LEU  55          HD13      LEU  55  -9.897   3.792   2.037
  430   1HD2  LEU  55          HD21      LEU  55  -9.379   7.733   3.429
  431   2HD2  LEU  55          HD22      LEU  55 -10.484   6.540   4.110
  432   3HD2  LEU  55          HD23      LEU  55 -10.870   7.331   2.582
  433    H    GLU  56           HN       GLU  56  -5.380   4.436   3.231
  434    HA   GLU  56           HA       GLU  56  -4.763   3.609   5.893
  435   1HB   GLU  56           HB2      GLU  56  -3.212   3.616   3.288
  436   2HB   GLU  56           HB1      GLU  56  -2.640   2.798   4.742
  437   1HG   GLU  56           HG2      GLU  56  -4.709   1.452   4.804
  438   2HG   GLU  56           HG1      GLU  56  -5.283   2.266   3.350
  439    H    ASN  57           HN       ASN  57  -3.364   6.139   3.824
  440    HA   ASN  57           HA       ASN  57  -1.165   6.899   5.470
  441   1HB   ASN  57           HB2      ASN  57  -1.552   7.606   3.132
  442   2HB   ASN  57           HB1      ASN  57  -2.952   8.545   3.645
  443   1HD2  ASN  57          HD21      ASN  57  -1.220  10.144   2.434
  444   2HD2  ASN  57          HD22      ASN  57  -0.240  11.016   3.512
  445    H    TYR  58           HN       TYR  58  -4.537   8.097   5.416
  446    HA   TYR  58           HA       TYR  58  -4.276  10.082   7.447
  447   1HB   TYR  58           HB2      TYR  58  -6.624   8.288   6.768
  448   2HB   TYR  58           HB1      TYR  58  -6.711   9.818   7.625
  449    HD1  TYR  58           HD1      TYR  58  -4.640  11.354   5.941
  450    HD2  TYR  58           HD2      TYR  58  -7.930   8.811   4.862
  451    HE1  TYR  58           HE1      TYR  58  -4.836  12.527   3.764
  452    HE2  TYR  58           HE2      TYR  58  -8.118   9.977   2.685
  453    HH   TYR  58           HH       TYR  58  -7.077  12.793   2.014
  454    H    CYS  59           HN       CYS  59  -4.886   6.590   7.662
  455    HA   CYS  59           HA       CYS  59  -5.219   6.709  10.587
  456   1HB   CYS  59           HB2      CYS  59  -5.442   4.687   8.390
  457   2HB   CYS  59           HB1      CYS  59  -5.283   4.117  10.052
  458    H    ASN  60           HN       ASN  60  -2.528   6.745   8.597
  459    HA   ASN  60           HA       ASN  60  -0.853   4.761   9.901
  460   1HB   ASN  60           HB2      ASN  60  -0.452   7.153   8.117
  461   2HB   ASN  60           HB1      ASN  60   0.943   6.348   8.830
  462   1HD2  ASN  60          HD21      ASN  60   0.813   6.207   6.093
  463   2HD2  ASN  60          HD22      ASN  60   0.330   4.662   5.582
  Start of MODEL   12
    1   1H    PHE   1           HT1      PHE   1 -21.598  -2.186 -10.976
    2   2H    PHE   1           HT2      PHE   1 -22.149  -2.656  -9.440
    3   3H    PHE   1           HT3      PHE   1 -21.220  -3.726 -10.377
    4    HA   PHE   1           HA       PHE   1 -19.853  -2.750  -8.629
    5   1HB   PHE   1           HB2      PHE   1 -19.121  -3.334 -11.020
    6   2HB   PHE   1           HB1      PHE   1 -19.191  -1.604 -11.353
    7    HD1  PHE   1           HD1      PHE   1 -17.319  -4.288  -9.781
    8    HD2  PHE   1           HD2      PHE   1 -17.749  -0.021 -10.023
    9    HE1  PHE   1           HE1      PHE   1 -15.075  -4.005  -8.767
   10    HE2  PHE   1           HE2      PHE   1 -15.503   0.262  -9.008
   11    HZ   PHE   1           HZ       PHE   1 -14.166  -1.731  -8.380
   12    H    VAL   2           HN       VAL   2 -20.046  -1.033  -7.222
   13    HA   VAL   2           HA       VAL   2 -20.456   1.676  -8.347
   14    HB   VAL   2           HB       VAL   2 -21.928   2.075  -6.396
   15   1HG1  VAL   2          HG11      VAL   2 -23.750   1.201  -7.457
   16   2HG1  VAL   2          HG12      VAL   2 -23.081  -0.430  -7.471
   17   3HG1  VAL   2          HG13      VAL   2 -22.566   0.744  -8.681
   18   1HG2  VAL   2          HG21      VAL   2 -22.603   0.174  -4.976
   19   2HG2  VAL   2          HG22      VAL   2 -20.866   0.454  -4.857
   20   3HG2  VAL   2          HG23      VAL   2 -21.480  -0.873  -5.843
   21    H    ASN   3           HN       ASN   3 -19.604   3.393  -6.934
   22    HA   ASN   3           HA       ASN   3 -17.792   2.625  -4.733
   23   1HB   ASN   3           HB2      ASN   3 -16.662   2.314  -7.040
   24   2HB   ASN   3           HB1      ASN   3 -16.710   4.073  -7.161
   25   1HD2  ASN   3          HD21      ASN   3 -14.296   2.316  -6.879
   26   2HD2  ASN   3          HD22      ASN   3 -13.513   2.839  -5.467
   27    H    GLN   4           HN       GLN   4 -19.121   4.031  -3.497
   28    HA   GLN   4           HA       GLN   4 -19.681   6.772  -4.336
   29   1HB   GLN   4           HB2      GLN   4 -19.941   5.394  -1.651
   30   2HB   GLN   4           HB1      GLN   4 -20.745   6.882  -2.130
   31   1HG   GLN   4           HG2      GLN   4 -21.944   5.672  -3.920
   32   2HG   GLN   4           HG1      GLN   4 -21.146   4.171  -3.443
   33   1HE2  GLN   4          HE21      GLN   4 -23.237   6.766  -2.060
   34   2HE2  GLN   4          HE22      GLN   4 -24.044   5.741  -0.975
   35    H    HIS   5           HN       HIS   5 -18.957   8.646  -3.134
   36    HA   HIS   5           HA       HIS   5 -16.096   8.598  -2.501
   37   1HB   HIS   5           HB2      HIS   5 -18.278  10.705  -2.513
   38   2HB   HIS   5           HB1      HIS   5 -16.591  11.069  -2.155
   39    HD1  HIS   5           HD1      HIS   5 -17.983  12.237  -4.688
   40    HD2  HIS   5           HD2      HIS   5 -15.722   8.739  -4.659
   41    HE1  HIS   5           HE1      HIS   5 -17.203  11.869  -7.070
   42    H    LEU   6           HN       LEU   6 -15.190   8.971  -0.413
   43    HA   LEU   6           HA       LEU   6 -16.899   8.257   1.854
   44   1HB   LEU   6           HB2      LEU   6 -13.953   8.836   1.480
   45   2HB   LEU   6           HB1      LEU   6 -14.653   8.412   3.043
   46    HG   LEU   6           HG       LEU   6 -14.905   6.715   0.546
   47   1HD1  LEU   6          HD11      LEU   6 -13.340   5.193   1.904
   48   2HD1  LEU   6          HD12      LEU   6 -12.992   6.619   2.882
   49   3HD1  LEU   6          HD13      LEU   6 -12.609   6.616   1.161
   50   1HD2  LEU   6          HD21      LEU   6 -16.649   5.948   1.823
   51   2HD2  LEU   6          HD22      LEU   6 -15.972   6.595   3.318
   52   3HD2  LEU   6          HD23      LEU   6 -15.363   5.076   2.659
   53    H    CYS   7           HN       CYS   7 -18.253  10.121   2.020
   54    HA   CYS   7           HA       CYS   7 -16.995  12.421   3.418
   55   1HB   CYS   7           HB2      CYS   7 -17.272  12.611   0.779
   56   2HB   CYS   7           HB1      CYS   7 -18.944  12.971   1.211
   57    H    GLY   8           HN       GLY   8 -18.864  13.913   4.203
   58   1HA   GLY   8           HA2      GLY   8 -20.782  14.112   5.534
   59   2HA   GLY   8           HA1      GLY   8 -21.570  13.162   4.272
   60    H    SER   9           HN       SER   9 -22.587  11.415   5.198
   61    HA   SER   9           HA       SER   9 -21.836  10.361   7.806
   62   1HB   SER   9           HB2      SER   9 -23.705   9.356   5.640
   63   2HB   SER   9           HB1      SER   9 -23.676   8.772   7.302
   64    HG   SER   9           HG       SER   9 -25.211  10.547   6.660
   65    H    HIS  10           HN       HIS  10 -21.198   9.426   4.470
   66    HA   HIS  10           HA       HIS  10 -20.346   6.729   4.920
   67   1HB   HIS  10           HB2      HIS  10 -19.746   8.821   2.821
   68   2HB   HIS  10           HB1      HIS  10 -19.172   7.158   2.693
   69    HD1  HIS  10           HD1      HIS  10 -22.406   9.134   2.922
   70    HD2  HIS  10           HD2      HIS  10 -21.103   5.319   1.861
   71    HE1  HIS  10           HE1      HIS  10 -24.411   7.940   1.938
   72    H    LEU  11           HN       LEU  11 -18.510   9.790   4.920
   73    HA   LEU  11           HA       LEU  11 -15.888   8.694   5.082
   74   1HB   LEU  11           HB2      LEU  11 -16.443  11.045   4.634
   75   2HB   LEU  11           HB1      LEU  11 -17.058  11.233   6.272
   76    HG   LEU  11           HG       LEU  11 -14.750  10.573   7.097
   77   1HD1  LEU  11          HD11      LEU  11 -13.891  11.193   4.265
   78   2HD1  LEU  11          HD12      LEU  11 -14.129   9.542   4.836
   79   3HD1  LEU  11          HD13      LEU  11 -12.906  10.566   5.586
   80   1HD2  LEU  11          HD21      LEU  11 -15.158  12.865   7.269
   81   2HD2  LEU  11          HD22      LEU  11 -15.344  13.065   5.526
   82   3HD2  LEU  11          HD23      LEU  11 -13.739  12.843   6.222
   83    H    VAL  12           HN       VAL  12 -18.082   9.684   7.743
   84    HA   VAL  12           HA       VAL  12 -16.335   8.983   9.895
   85    HB   VAL  12           HB       VAL  12 -19.352   9.143   9.590
   86   1HG1  VAL  12          HG11      VAL  12 -17.657   8.579  12.000
   87   2HG1  VAL  12          HG12      VAL  12 -19.224   7.905  11.555
   88   3HG1  VAL  12          HG13      VAL  12 -19.119   9.547  12.189
   89   1HG2  VAL  12          HG21      VAL  12 -17.263  11.097   9.743
   90   2HG2  VAL  12          HG22      VAL  12 -18.204  11.198  11.229
   91   3HG2  VAL  12          HG23      VAL  12 -19.003  11.365   9.667
   92    H    GLU  13           HN       GLU  13 -19.015   7.146   8.423
   93    HA   GLU  13           HA       GLU  13 -18.738   4.763   9.937
   94   1HB   GLU  13           HB2      GLU  13 -19.743   5.357   7.147
   95   2HB   GLU  13           HB1      GLU  13 -19.937   3.781   7.917
   96   1HG   GLU  13           HG2      GLU  13 -21.229   4.741   9.716
   97   2HG   GLU  13           HG1      GLU  13 -20.888   6.377   9.154
   98    H    ALA  14           HN       ALA  14 -17.339   5.611   6.775
   99    HA   ALA  14           HA       ALA  14 -16.020   3.163   6.242
  100   1HB   ALA  14           HB1      ALA  14 -14.577   4.707   4.791
  101   2HB   ALA  14           HB2      ALA  14 -15.516   6.038   5.467
  102   3HB   ALA  14           HB3      ALA  14 -16.318   4.783   4.522
  103    H    LEU  15           HN       LEU  15 -14.706   6.114   7.805
  104    HA   LEU  15           HA       LEU  15 -12.055   5.159   8.179
  105   1HB   LEU  15           HB2      LEU  15 -13.781   7.094   9.752
  106   2HB   LEU  15           HB1      LEU  15 -12.042   6.924   9.990
  107    HG   LEU  15           HG       LEU  15 -13.282   7.547   7.297
  108   1HD1  LEU  15          HD11      LEU  15 -11.954   9.525   9.159
  109   2HD1  LEU  15          HD12      LEU  15 -13.702   9.293   9.125
  110   3HD1  LEU  15          HD13      LEU  15 -12.860   9.862   7.684
  111   1HD2  LEU  15          HD21      LEU  15 -10.471   8.080   8.286
  112   2HD2  LEU  15          HD22      LEU  15 -11.054   8.070   6.622
  113   3HD2  LEU  15          HD23      LEU  15 -10.911   6.559   7.513
  114    H    TYR  16           HN       TYR  16 -14.899   4.886  10.340
  115    HA   TYR  16           HA       TYR  16 -13.548   3.615  12.523
  116   1HB   TYR  16           HB2      TYR  16 -16.367   3.755  11.483
  117   2HB   TYR  16           HB1      TYR  16 -15.994   2.699  12.844
  118    HD1  TYR  16           HD1      TYR  16 -14.100   4.047  14.464
  119    HD2  TYR  16           HD2      TYR  16 -17.336   5.750  12.208
  120    HE1  TYR  16           HE1      TYR  16 -14.156   5.986  16.008
  121    HE2  TYR  16           HE2      TYR  16 -17.389   7.690  13.753
  122    HH   TYR  16           HH       TYR  16 -16.060   7.721  16.708
  123    H    LEU  17           HN       LEU  17 -15.209   2.251   9.672
  124    HA   LEU  17           HA       LEU  17 -14.868  -0.499  10.381
  125   1HB   LEU  17           HB2      LEU  17 -15.219   0.914   7.750
  126   2HB   LEU  17           HB1      LEU  17 -15.385  -0.822   7.956
  127    HG   LEU  17           HG       LEU  17 -17.013   1.225   9.485
  128   1HD1  LEU  17          HD11      LEU  17 -18.612   1.192   7.851
  129   2HD1  LEU  17          HD12      LEU  17 -18.291  -0.489   7.427
  130   3HD1  LEU  17          HD13      LEU  17 -17.248   0.792   6.808
  131   1HD2  LEU  17          HD21      LEU  17 -16.788  -1.740   9.445
  132   2HD2  LEU  17          HD22      LEU  17 -18.426  -1.090   9.512
  133   3HD2  LEU  17          HD23      LEU  17 -17.257  -0.666  10.763
  134    H    VAL  18           HN       VAL  18 -12.932   1.723   8.391
  135    HA   VAL  18           HA       VAL  18 -10.977  -0.305   7.649
  136    HB   VAL  18           HB       VAL  18 -11.054   2.696   7.433
  137   1HG1  VAL  18          HG11      VAL  18  -8.756   2.051   7.219
  138   2HG1  VAL  18          HG12      VAL  18  -9.361   2.264   5.576
  139   3HG1  VAL  18          HG13      VAL  18  -9.180   0.643   6.245
  140   1HG2  VAL  18          HG21      VAL  18 -11.744   0.460   5.513
  141   2HG2  VAL  18          HG22      VAL  18 -11.629   2.157   5.046
  142   3HG2  VAL  18          HG23      VAL  18 -12.858   1.641   6.201
  143    H    CYS  19           HN       CYS  19 -10.568   2.737   9.473
  144    HA   CYS  19           HA       CYS  19  -8.078   1.796  10.675
  145   1HB   CYS  19           HB2      CYS  19  -9.817   4.233  10.902
  146   2HB   CYS  19           HB1      CYS  19  -8.362   4.048  11.876
  147    H    GLY  20           HN       GLY  20 -10.951   3.145  12.306
  148   1HA   GLY  20           HA2      GLY  20 -12.034   2.510  14.275
  149   2HA   GLY  20           HA1      GLY  20 -11.470   0.876  13.945
  150    H    GLU  21           HN       GLU  21  -9.018   3.317  14.168
  151    HA   GLU  21           HA       GLU  21  -8.310   2.309  16.877
  152   1HB   GLU  21           HB2      GLU  21  -6.856   1.707  14.869
  153   2HB   GLU  21           HB1      GLU  21  -6.448   3.421  14.764
  154   1HG   GLU  21           HG2      GLU  21  -5.643   3.341  17.122
  155   2HG   GLU  21           HG1      GLU  21  -5.984   1.617  17.160
  156    H    ARG  22           HN       ARG  22  -7.756   3.854  18.432
  157    HA   ARG  22           HA       ARG  22  -8.846   6.477  18.235
  158   1HB   ARG  22           HB2      ARG  22  -6.910   5.134  20.123
  159   2HB   ARG  22           HB1      ARG  22  -7.566   6.746  20.418
  160   1HG   ARG  22           HG2      ARG  22  -9.858   5.837  20.309
  161   2HG   ARG  22           HG1      ARG  22  -9.205   4.225  20.019
  162   1HD   ARG  22           HD2      ARG  22  -8.060   4.282  22.208
  163   2HD   ARG  22           HD1      ARG  22  -8.715   5.905  22.505
  164    HE   ARG  22           HE       ARG  22 -10.486   3.532  22.036
  165   1HH1  ARG  22          HH21      ARG  22 -11.280   6.564  22.220
  166   2HH1  ARG  22          HH22      ARG  22 -11.964   6.586  23.812
  167   1HH2  ARG  22          HH11      ARG  22 -10.650   3.503  24.705
  168   2HH2  ARG  22          HH12      ARG  22 -11.607   4.853  25.218
  169    H    GLY  23           HN       GLY  23  -5.707   5.270  17.352
  170   1HA   GLY  23           HA2      GLY  23  -4.048   7.501  17.662
  171   2HA   GLY  23           HA1      GLY  23  -3.863   6.321  16.372
  172    H    PHE  24           HN       PHE  24  -6.695   7.147  15.405
  173    HA   PHE  24           HA       PHE  24  -5.747   9.095  13.482
  174   1HB   PHE  24           HB2      PHE  24  -8.099   8.980  12.675
  175   2HB   PHE  24           HB1      PHE  24  -7.361   7.403  12.882
  176    HD1  PHE  24           HD1      PHE  24  -9.973   6.987  12.643
  177    HD2  PHE  24           HD2      PHE  24  -8.115   8.610  16.170
  178    HE1  PHE  24           HE1      PHE  24 -11.912   6.274  14.007
  179    HE2  PHE  24           HE2      PHE  24 -10.056   7.898  17.515
  180    HZ   PHE  24           HZ       PHE  24 -11.956   6.729  16.440
  181    H    PHE  25           HN       PHE  25  -5.100  10.822  15.087
  182    HA   PHE  25           HA       PHE  25  -7.082  12.283  16.594
  183   1HB   PHE  25           HB2      PHE  25  -4.322  12.931  15.520
  184   2HB   PHE  25           HB1      PHE  25  -5.211  14.008  16.593
  185    HD1  PHE  25           HD1      PHE  25  -6.386  12.457  18.634
  186    HD2  PHE  25           HD2      PHE  25  -2.662  11.756  16.612
  187    HE1  PHE  25           HE1      PHE  25  -5.564  11.169  20.590
  188    HE2  PHE  25           HE2      PHE  25  -1.842  10.468  18.564
  189    HZ   PHE  25           HZ       PHE  25  -3.293  10.174  20.553
  190    H    TYR  26           HN       TYR  26  -5.612  12.649  13.394
  191    HA   TYR  26           HA       TYR  26  -6.193  13.941  11.526
  192   1HB   TYR  26           HB2      TYR  26  -8.444  12.682  12.579
  193   2HB   TYR  26           HB1      TYR  26  -8.976  14.348  12.353
  194    HD1  TYR  26           HD1      TYR  26  -8.594  11.232  10.758
  195    HD2  TYR  26           HD2      TYR  26  -8.176  15.448  10.051
  196    HE1  TYR  26           HE1      TYR  26  -8.771  10.840   8.315
  197    HE2  TYR  26           HE2      TYR  26  -8.355  15.057   7.609
  198    HH   TYR  26           HH       TYR  26  -9.465  13.145   6.131
  199    H    THR  27           HN       THR  27  -5.562  15.328  14.237
  200    HA   THR  27           HA       THR  27  -7.047  17.834  14.087
  201    HB   THR  27           HB       THR  27  -4.582  16.987  15.640
  202    HG1  THR  27           HG1      THR  27  -7.340  17.038  16.300
  203   1HG2  THR  27          HG21      THR  27  -6.512  19.179  16.379
  204   2HG2  THR  27          HG22      THR  27  -5.126  19.504  15.338
  205   3HG2  THR  27          HG23      THR  27  -4.875  18.905  16.978
  206    HA   PRO  28           HA       PRO  28  -4.312  19.585  11.033
  207   1HB   PRO  28           HB2      PRO  28  -4.873  22.237  11.415
  208   2HB   PRO  28           HB1      PRO  28  -5.964  21.129  10.558
  209   1HG   PRO  28           HG2      PRO  28  -6.077  22.090  13.380
  210   2HG   PRO  28           HG1      PRO  28  -7.390  21.881  12.209
  211   1HD   PRO  28           HD2      PRO  28  -6.904  20.090  14.172
  212   2HD   PRO  28           HD1      PRO  28  -7.543  19.615  12.582
  213    H    LYS  29           HN       LYS  29  -2.548  21.356  10.972
  214    HA   LYS  29           HA       LYS  29  -0.721  20.971  13.159
  215   1HB   LYS  29           HB2      LYS  29  -0.779  22.770  10.723
  216   2HB   LYS  29           HB1      LYS  29   0.608  22.678  11.809
  217   1HG   LYS  29           HG2      LYS  29   0.771  20.244  11.402
  218   2HG   LYS  29           HG1      LYS  29  -0.614  20.336  10.314
  219   1HD   LYS  29           HD2      LYS  29   0.631  21.884   8.849
  220   2HD   LYS  29           HD1      LYS  29   2.019  21.792   9.933
  221   1HE   LYS  29           HE2      LYS  29   2.428  20.233   8.122
  222   2HE   LYS  29           HE1      LYS  29   2.002  19.264   9.544
  223   1HZ   LYS  29           HZ1      LYS  29   0.762  18.808   7.356
  224   2HZ   LYS  29           HZ2      LYS  29  -0.094  20.235   7.696
  225   3HZ   LYS  29           HZ3      LYS  29  -0.148  18.927   8.781
  226    H    THR  30           HN       THR  30  -3.148  23.388  12.450
  227    HA   THR  30           HA       THR  30  -3.795  25.360  13.584
  228    HB   THR  30           HB       THR  30  -2.527  23.741  15.819
  229    HG1  THR  30           HG1      THR  30  -4.098  22.462  15.311
  230   1HG2  THR  30          HG21      THR  30  -3.649  26.341  15.874
  231   2HG2  THR  30          HG22      THR  30  -3.240  25.320  17.252
  232   3HG2  THR  30          HG23      THR  30  -4.862  25.262  16.563
  233    H    ARG  31           HN       ARG  31  -1.419  25.853  12.241
  234    HA   ARG  31           HA       ARG  31   0.719  26.774  13.936
  235   1HB   ARG  31           HB2      ARG  31  -0.072  27.444  11.083
  236   2HB   ARG  31           HB1      ARG  31   1.497  27.808  11.805
  237   1HG   ARG  31           HG2      ARG  31   1.789  25.368  12.286
  238   2HG   ARG  31           HG1      ARG  31   0.285  25.053  11.422
  239   1HD   ARG  31           HD2      ARG  31   2.049  24.684   9.832
  240   2HD   ARG  31           HD1      ARG  31   1.368  26.271   9.423
  241    HE   ARG  31           HE       ARG  31   3.308  26.909  11.265
  242   1HH1  ARG  31          HH11      ARG  31   4.025  24.171   9.621
  243   2HH1  ARG  31          HH12      ARG  31   5.329  24.815   8.681
  244   1HH2  ARG  31          HH21      ARG  31   4.664  28.110   9.532
  245   2HH2  ARG  31          HH22      ARG  31   5.692  27.046   8.632
  246    H    ARG  32           HN       ARG  32  -2.083  28.403  12.426
  247    HA   ARG  32           HA       ARG  32  -2.128  30.440  14.481
  248   1HB   ARG  32           HB2      ARG  32  -0.169  31.044  12.958
  249   2HB   ARG  32           HB1      ARG  32  -1.357  31.333  11.689
  250   1HG   ARG  32           HG2      ARG  32  -2.479  33.012  13.140
  251   2HG   ARG  32           HG1      ARG  32  -1.262  32.732  14.381
  252   1HD   ARG  32           HD2      ARG  32   0.507  33.516  12.868
  253   2HD   ARG  32           HD1      ARG  32  -0.684  33.740  11.572
  254    HE   ARG  32           HE       ARG  32  -1.558  35.122  13.940
  255   1HH1  ARG  32          HH11      ARG  32   1.182  36.133  13.992
  256   2HH1  ARG  32          HH12      ARG  32   1.148  37.455  12.874
  257   1HH2  ARG  32          HH21      ARG  32  -1.806  36.449  11.363
  258   2HH2  ARG  32          HH22      ARG  32  -0.544  37.635  11.387
  259    H    TYR  33           HN       TYR  33  -3.988  28.543  13.078
  260    HA   TYR  33           HA       TYR  33  -6.169  30.462  12.594
  261   1HB   TYR  33           HB2      TYR  33  -4.543  29.334  10.481
  262   2HB   TYR  33           HB1      TYR  33  -6.210  28.798  10.310
  263    HD1  TYR  33           HD1      TYR  33  -7.933  30.866  11.030
  264    HD2  TYR  33           HD2      TYR  33  -4.050  31.233   9.232
  265    HE1  TYR  33           HE1      TYR  33  -8.564  33.085  10.122
  266    HE2  TYR  33           HE2      TYR  33  -4.680  33.453   8.323
  267    HH   TYR  33           HH       TYR  33  -7.021  34.583   7.700
  268    HA   PRO  34           HA       PRO  34  -7.586  26.366  14.177
  269   1HB   PRO  34           HB2      PRO  34  -8.966  27.297  16.343
  270   2HB   PRO  34           HB1      PRO  34  -7.229  26.939  16.393
  271   1HG   PRO  34           HG2      PRO  34  -8.617  29.544  16.270
  272   2HG   PRO  34           HG1      PRO  34  -7.065  29.122  17.004
  273   1HD   PRO  34           HD2      PRO  34  -7.424  30.413  14.554
  274   2HD   PRO  34           HD1      PRO  34  -5.925  29.653  15.126
  275    H    GLY  35           HN       GLY  35  -8.761  27.207  11.991
  276   1HA   GLY  35           HA2      GLY  35 -11.414  28.357  12.381
  277   2HA   GLY  35           HA1      GLY  35 -10.754  27.771  10.858
  278    H    ASP  36           HN       ASP  36 -10.104  25.111  12.158
  279    HA   ASP  36           HA       ASP  36 -11.155  22.993  12.277
  280   1HB   ASP  36           HB2      ASP  36 -13.000  24.885  13.739
  281   2HB   ASP  36           HB1      ASP  36 -13.381  23.168  13.620
  282    H    VAL  37           HN       VAL  37 -13.564  21.989  11.883
  283    HA   VAL  37           HA       VAL  37 -15.183  21.458  10.267
  284    HB   VAL  37           HB       VAL  37 -15.125  24.484  10.011
  285   1HG1  VAL  37          HG11      VAL  37 -17.546  24.084   9.296
  286   2HG1  VAL  37          HG12      VAL  37 -17.104  22.390   9.087
  287   3HG1  VAL  37          HG13      VAL  37 -16.316  23.632   8.115
  288   1HG2  VAL  37          HG21      VAL  37 -17.160  24.207  11.533
  289   2HG2  VAL  37          HG22      VAL  37 -15.594  23.883  12.276
  290   3HG2  VAL  37          HG23      VAL  37 -16.628  22.544  11.778
  291    H    LYS  38           HN       LYS  38 -13.908  24.279   8.493
  292    HA   LYS  38           HA       LYS  38 -13.577  22.690   6.067
  293   1HB   LYS  38           HB2      LYS  38 -14.323  25.018   6.036
  294   2HB   LYS  38           HB1      LYS  38 -12.860  25.534   6.869
  295   1HG   LYS  38           HG2      LYS  38 -12.691  26.009   4.463
  296   2HG   LYS  38           HG1      LYS  38 -11.505  24.795   4.929
  297   1HD   LYS  38           HD2      LYS  38 -12.876  23.015   4.044
  298   2HD   LYS  38           HD1      LYS  38 -14.217  24.127   3.760
  299   1HE   LYS  38           HE2      LYS  38 -11.649  24.914   2.494
  300   2HE   LYS  38           HE1      LYS  38 -12.420  23.464   1.826
  301   1HZ   LYS  38           HZ1      LYS  38 -14.471  24.643   1.581
  302   2HZ   LYS  38           HZ2      LYS  38 -13.253  25.564   0.835
  303   3HZ   LYS  38           HZ3      LYS  38 -13.847  26.013   2.363
  304    H    ARG  39           HN       ARG  39 -12.000  21.114   6.992
  305    HA   ARG  39           HA       ARG  39  -9.369  21.990   7.825
  306   1HB   ARG  39           HB2      ARG  39 -10.607  19.346   7.014
  307   2HB   ARG  39           HB1      ARG  39  -8.941  19.485   7.585
  308   1HG   ARG  39           HG2      ARG  39  -9.739  20.531   9.674
  309   2HG   ARG  39           HG1      ARG  39 -11.401  20.392   9.110
  310   1HD   ARG  39           HD2      ARG  39 -11.082  17.890   8.984
  311   2HD   ARG  39           HD1      ARG  39  -9.501  18.115   9.761
  312    HE   ARG  39           HE       ARG  39 -11.622  19.503  11.192
  313   1HH1  ARG  39          HH21      ARG  39  -9.416  18.291  12.679
  314   2HH1  ARG  39          HH22      ARG  39 -10.121  16.857  13.345
  315   1HH2  ARG  39          HH11      ARG  39 -12.836  16.868  11.189
  316   2HH2  ARG  39          HH12      ARG  39 -12.057  16.051  12.503
  317    H    GLY  40           HN       GLY  40 -10.869  20.958   4.815
  318   1HA   GLY  40           HA2      GLY  40 -10.076  21.773   2.668
  319   2HA   GLY  40           HA1      GLY  40  -8.455  21.894   3.351
  320    H    ILE  41           HN       ILE  41  -8.015  19.446   4.438
  321    HA   ILE  41           HA       ILE  41  -7.509  17.801   2.118
  322    HB   ILE  41           HB       ILE  41  -6.549  16.274   3.802
  323   1HG1  ILE  41          HG12      ILE  41  -7.682  18.170   5.882
  324   2HG1  ILE  41          HG11      ILE  41  -8.397  16.606   5.490
  325   1HG2  ILE  41          HG21      ILE  41  -5.642  18.731   3.165
  326   2HG2  ILE  41          HG22      ILE  41  -4.783  17.656   4.267
  327   3HG2  ILE  41          HG23      ILE  41  -5.815  18.934   4.908
  328   1HD1  ILE  41          HD11      ILE  41  -5.551  17.030   6.444
  329   2HD1  ILE  41          HD12      ILE  41  -6.306  15.475   6.097
  330   3HD1  ILE  41          HD13      ILE  41  -6.882  16.453   7.447
  331    H    VAL  42           HN       VAL  42 -10.010  17.794   4.611
  332    HA   VAL  42           HA       VAL  42 -11.069  15.181   4.191
  333    HB   VAL  42           HB       VAL  42 -12.260  17.801   5.071
  334   1HG1  VAL  42          HG11      VAL  42 -14.116  16.437   4.286
  335   2HG1  VAL  42          HG12      VAL  42 -14.112  16.423   6.049
  336   3HG1  VAL  42          HG13      VAL  42 -13.492  15.035   5.156
  337   1HG2  VAL  42          HG21      VAL  42 -12.219  16.292   7.266
  338   2HG2  VAL  42          HG22      VAL  42 -10.793  17.190   6.745
  339   3HG2  VAL  42          HG23      VAL  42 -10.936  15.471   6.378
  340    H    GLU  43           HN       GLU  43 -11.851  18.282   2.617
  341    HA   GLU  43           HA       GLU  43 -13.941  17.322   0.926
  342   1HB   GLU  43           HB2      GLU  43 -11.948  19.586   0.693
  343   2HB   GLU  43           HB1      GLU  43 -13.294  19.377  -0.426
  344   1HG   GLU  43           HG2      GLU  43 -14.884  19.494   1.461
  345   2HG   GLU  43           HG1      GLU  43 -13.538  19.705   2.579
  346    H    GLN  44           HN       GLN  44 -10.467  16.994   0.688
  347    HA   GLN  44           HA       GLN  44 -10.137  16.671  -2.115
  348   1HB   GLN  44           HB2      GLN  44  -8.340  16.914  -0.429
  349   2HB   GLN  44           HB1      GLN  44  -8.711  15.305   0.190
  350   1HG   GLN  44           HG2      GLN  44  -8.145  14.310  -1.978
  351   2HG   GLN  44           HG1      GLN  44  -7.839  15.911  -2.651
  352   1HE2  GLN  44          HE21      GLN  44  -5.843  13.754  -2.426
  353   2HE2  GLN  44          HE22      GLN  44  -4.615  14.332  -1.407
  354    H    CYS  45           HN       CYS  45 -10.982  14.200   0.360
  355    HA   CYS  45           HA       CYS  45 -11.102  12.068  -1.655
  356   1HB   CYS  45           HB2      CYS  45 -11.737  12.330   1.287
  357   2HB   CYS  45           HB1      CYS  45 -12.088  10.846   0.406
  358    H    CYS  46           HN       CYS  46 -13.314  14.422  -0.374
  359    HA   CYS  46           HA       CYS  46 -15.784  12.988  -0.806
  360   1HB   CYS  46           HB2      CYS  46 -15.072  15.933  -0.704
  361   2HB   CYS  46           HB1      CYS  46 -16.721  15.310  -0.657
  362    H    THR  47           HN       THR  47 -13.845  15.166  -2.851
  363    HA   THR  47           HA       THR  47 -15.789  15.305  -5.004
  364    HB   THR  47           HB       THR  47 -13.879  16.381  -6.175
  365    HG1  THR  47           HG1      THR  47 -11.893  16.277  -5.351
  366   1HG2  THR  47          HG21      THR  47 -14.738  17.099  -3.425
  367   2HG2  THR  47          HG22      THR  47 -14.853  18.027  -4.920
  368   3HG2  THR  47          HG23      THR  47 -13.322  17.946  -4.048
  369    H    SER  48           HN       SER  48 -13.262  13.024  -4.172
  370    HA   SER  48           HA       SER  48 -13.895  11.492  -6.664
  371   1HB   SER  48           HB2      SER  48 -11.113  12.007  -5.571
  372   2HB   SER  48           HB1      SER  48 -11.520  11.188  -7.077
  373    HG   SER  48           HG       SER  48 -12.156  13.083  -7.943
  374    H    ILE  49           HN       ILE  49 -11.965   9.462  -6.163
  375    HA   ILE  49           HA       ILE  49 -13.043   8.250  -3.638
  376    HB   ILE  49           HB       ILE  49 -12.059   6.998  -6.231
  377   1HG1  ILE  49          HG12      ILE  49 -14.871   7.010  -5.121
  378   2HG1  ILE  49          HG11      ILE  49 -14.297   8.281  -6.201
  379   1HG2  ILE  49          HG21      ILE  49 -13.345   4.997  -5.076
  380   2HG2  ILE  49          HG22      ILE  49 -12.966   5.881  -3.598
  381   3HG2  ILE  49          HG23      ILE  49 -11.666   5.330  -4.654
  382   1HD1  ILE  49          HD11      ILE  49 -15.487   6.342  -7.341
  383   2HD1  ILE  49          HD12      ILE  49 -14.112   5.337  -6.885
  384   3HD1  ILE  49          HD13      ILE  49 -13.879   6.710  -7.966
  385    H    CYS  50           HN       CYS  50 -11.514   7.910  -2.072
  386    HA   CYS  50           HA       CYS  50  -8.649   8.225  -2.777
  387   1HB   CYS  50           HB2      CYS  50 -10.333   8.310  -0.277
  388   2HB   CYS  50           HB1      CYS  50  -8.576   8.183  -0.162
  389    H    SER  51           HN       SER  51  -7.175   6.574  -2.600
  390    HA   SER  51           HA       SER  51  -8.163   3.826  -2.492
  391   1HB   SER  51           HB2      SER  51  -5.770   3.354  -2.979
  392   2HB   SER  51           HB1      SER  51  -6.421   4.594  -4.046
  393    HG   SER  51           HG       SER  51  -5.248   6.083  -3.047
  394    H    LEU  52           HN       LEU  52  -7.027   2.192  -1.094
  395    HA   LEU  52           HA       LEU  52  -7.310   2.716   1.679
  396   1HB   LEU  52           HB2      LEU  52  -7.347   0.486   0.560
  397   2HB   LEU  52           HB1      LEU  52  -5.612   0.627   0.272
  398    HG   LEU  52           HG       LEU  52  -5.431   1.008   2.831
  399   1HD1  LEU  52          HD11      LEU  52  -7.268  -0.142   4.092
  400   2HD1  LEU  52          HD12      LEU  52  -8.190  -0.228   2.591
  401   3HD1  LEU  52          HD13      LEU  52  -7.794   1.340   3.294
  402   1HD2  LEU  52          HD21      LEU  52  -5.819  -1.486   1.281
  403   2HD2  LEU  52          HD22      LEU  52  -5.971  -1.667   3.029
  404   3HD2  LEU  52          HD23      LEU  52  -4.488  -1.012   2.336
  405    H    TYR  53           HN       TYR  53  -4.459   2.798  -0.438
  406    HA   TYR  53           HA       TYR  53  -2.403   3.108   1.486
  407   1HB   TYR  53           HB2      TYR  53  -2.201   2.754  -0.991
  408   2HB   TYR  53           HB1      TYR  53  -2.656   4.439  -1.204
  409    HD1  TYR  53           HD1      TYR  53  -1.204   6.263  -0.249
  410    HD2  TYR  53           HD2      TYR  53   0.007   2.144  -0.333
  411    HE1  TYR  53           HE1      TYR  53   1.148   6.949   0.131
  412    HE2  TYR  53           HE2      TYR  53   2.359   2.827   0.048
  413    HH   TYR  53           HH       TYR  53   3.798   4.651  -0.045
  414    H    GLN  54           HN       GLN  54  -4.457   5.570  -0.073
  415    HA   GLN  54           HA       GLN  54  -3.251   7.843   1.239
  416   1HB   GLN  54           HB2      GLN  54  -5.950   7.300  -0.040
  417   2HB   GLN  54           HB1      GLN  54  -5.458   8.901   0.515
  418   1HG   GLN  54           HG2      GLN  54  -3.592   8.939  -1.011
  419   2HG   GLN  54           HG1      GLN  54  -3.841   7.247  -1.441
  420   1HE2  GLN  54          HE21      GLN  54  -3.959   9.732  -3.186
  421   2HE2  GLN  54          HE22      GLN  54  -5.489   9.676  -3.918
  422    H    LEU  55           HN       LEU  55  -6.006   5.719   1.993
  423    HA   LEU  55           HA       LEU  55  -6.990   7.086   4.300
  424   1HB   LEU  55           HB2      LEU  55  -6.915   4.162   3.493
  425   2HB   LEU  55           HB1      LEU  55  -7.883   4.780   4.831
  426    HG   LEU  55           HG       LEU  55  -8.096   5.760   1.969
  427   1HD1  LEU  55          HD11      LEU  55 -10.292   4.253   3.302
  428   2HD1  LEU  55          HD12      LEU  55  -8.898   3.317   2.763
  429   3HD1  LEU  55          HD13      LEU  55  -9.815   4.280   1.604
  430   1HD2  LEU  55          HD21      LEU  55  -9.426   6.448   4.569
  431   2HD2  LEU  55          HD22      LEU  55 -10.368   6.549   3.081
  432   3HD2  LEU  55          HD23      LEU  55  -8.904   7.515   3.266
  433    H    GLU  56           HN       GLU  56  -4.456   4.623   3.916
  434    HA   GLU  56           HA       GLU  56  -3.841   4.181   6.668
  435   1HB   GLU  56           HB2      GLU  56  -2.206   4.082   4.117
  436   2HB   GLU  56           HB1      GLU  56  -1.595   3.510   5.669
  437   1HG   GLU  56           HG2      GLU  56  -3.480   1.931   5.837
  438   2HG   GLU  56           HG1      GLU  56  -4.101   2.498   4.293
  439    H    ASN  57           HN       ASN  57  -2.644   6.610   4.358
  440    HA   ASN  57           HA       ASN  57  -0.619   7.767   6.028
  441   1HB   ASN  57           HB2      ASN  57  -2.364   8.858   3.795
  442   2HB   ASN  57           HB1      ASN  57  -0.972   9.719   4.451
  443   1HD2  ASN  57          HD21      ASN  57   0.949   7.754   4.740
  444   2HD2  ASN  57          HD22      ASN  57   1.284   7.021   3.247
  445    H    TYR  58           HN       TYR  58  -4.079   8.509   5.631
  446    HA   TYR  58           HA       TYR  58  -4.129  10.846   7.308
  447   1HB   TYR  58           HB2      TYR  58  -6.213   8.827   6.449
  448   2HB   TYR  58           HB1      TYR  58  -6.596  10.313   7.313
  449    HD1  TYR  58           HD1      TYR  58  -4.958  12.368   6.194
  450    HD2  TYR  58           HD2      TYR  58  -6.762   9.024   4.194
  451    HE1  TYR  58           HE1      TYR  58  -4.900  13.615   4.050
  452    HE2  TYR  58           HE2      TYR  58  -6.702  10.267   2.053
  453    HH   TYR  58           HH       TYR  58  -6.639  13.071   1.558
  454    H    CYS  59           HN       CYS  59  -4.558   7.388   8.016
  455    HA   CYS  59           HA       CYS  59  -5.283   7.933  10.829
  456   1HB   CYS  59           HB2      CYS  59  -5.095   5.608   8.962
  457   2HB   CYS  59           HB1      CYS  59  -4.984   5.271  10.688
  458    H    ASN  60           HN       ASN  60  -2.377   7.821   9.114
  459    HA   ASN  60           HA       ASN  60  -0.712   6.293  10.923
  460   1HB   ASN  60           HB2      ASN  60  -0.372   8.283   8.707
  461   2HB   ASN  60           HB1      ASN  60   1.025   7.921   9.721
  462   1HD2  ASN  60          HD21      ASN  60   1.492   7.091   7.241
  463   2HD2  ASN  60          HD22      ASN  60   1.223   5.429   7.029
  Start of MODEL   13
    1   1H    PHE   1           HT1      PHE   1 -20.748  -1.296 -11.070
    2   2H    PHE   1           HT2      PHE   1 -19.691  -2.563 -11.476
    3   3H    PHE   1           HT3      PHE   1 -19.377  -0.984 -12.019
    4    HA   PHE   1           HA       PHE   1 -19.349  -1.857  -9.171
    5   1HB   PHE   1           HB2      PHE   1 -17.568  -2.772 -10.678
    6   2HB   PHE   1           HB1      PHE   1 -17.130  -1.118 -11.107
    7    HD1  PHE   1           HD1      PHE   1 -17.093  -3.671  -8.462
    8    HD2  PHE   1           HD2      PHE   1 -16.091   0.383  -9.469
    9    HE1  PHE   1           HE1      PHE   1 -15.687  -3.512  -6.425
   10    HE2  PHE   1           HE2      PHE   1 -14.685   0.542  -7.433
   11    HZ   PHE   1           HZ       PHE   1 -14.483  -1.406  -5.911
   12    H    VAL   2           HN       VAL   2 -19.006  -0.123  -7.723
   13    HA   VAL   2           HA       VAL   2 -18.886   2.601  -8.885
   14    HB   VAL   2           HB       VAL   2 -20.482   3.230  -7.080
   15   1HG1  VAL   2          HG11      VAL   2 -22.452   1.967  -8.065
   16   2HG1  VAL   2          HG12      VAL   2 -21.282   1.048  -9.013
   17   3HG1  VAL   2          HG13      VAL   2 -21.426   2.792  -9.239
   18   1HG2  VAL   2          HG21      VAL   2 -19.726   1.001  -5.801
   19   2HG2  VAL   2          HG22      VAL   2 -21.134   0.352  -6.642
   20   3HG2  VAL   2          HG23      VAL   2 -21.316   1.721  -5.546
   21    H    ASN   3           HN       ASN   3 -18.069   4.225  -7.374
   22    HA   ASN   3           HA       ASN   3 -16.608   3.309  -4.973
   23   1HB   ASN   3           HB2      ASN   3 -15.188   2.907  -7.054
   24   2HB   ASN   3           HB1      ASN   3 -15.207   4.652  -7.312
   25   1HD2  ASN   3          HD21      ASN   3 -12.786   3.134  -6.758
   26   2HD2  ASN   3          HD22      ASN   3 -12.179   3.671  -5.266
   27    H    GLN   4           HN       GLN   4 -18.006   4.786  -3.889
   28    HA   GLN   4           HA       GLN   4 -18.325   7.547  -4.769
   29   1HB   GLN   4           HB2      GLN   4 -19.018   6.117  -2.190
   30   2HB   GLN   4           HB1      GLN   4 -19.626   7.699  -2.668
   31   1HG   GLN   4           HG2      GLN   4 -20.670   6.702  -4.672
   32   2HG   GLN   4           HG1      GLN   4 -20.068   5.113  -4.197
   33   1HE2  GLN   4          HE21      GLN   4 -22.598   4.760  -4.276
   34   2HE2  GLN   4          HE22      GLN   4 -23.429   5.024  -2.820
   35    H    HIS   5           HN       HIS   5 -17.851   9.362  -3.271
   36    HA   HIS   5           HA       HIS   5 -15.039   9.423  -2.536
   37   1HB   HIS   5           HB2      HIS   5 -17.338  11.356  -2.083
   38   2HB   HIS   5           HB1      HIS   5 -15.630  11.755  -1.910
   39    HD1  HIS   5           HD1      HIS   5 -14.215  11.947  -4.083
   40    HD2  HIS   5           HD2      HIS   5 -18.237  11.094  -4.772
   41    HE1  HIS   5           HE1      HIS   5 -14.608  12.301  -6.560
   42    H    LEU   6           HN       LEU   6 -14.260   9.987  -0.367
   43    HA   LEU   6           HA       LEU   6 -15.770   8.626   1.778
   44   1HB   LEU   6           HB2      LEU   6 -12.938   9.524   1.282
   45   2HB   LEU   6           HB1      LEU   6 -13.455   9.068   2.905
   46    HG   LEU   6           HG       LEU   6 -14.033   7.249   0.584
   47   1HD1  LEU   6          HD11      LEU   6 -11.573   6.791   2.204
   48   2HD1  LEU   6          HD12      LEU   6 -11.487   8.036   0.958
   49   3HD1  LEU   6          HD13      LEU   6 -11.902   6.379   0.521
   50   1HD2  LEU   6          HD21      LEU   6 -15.014   6.938   2.904
   51   2HD2  LEU   6          HD22      LEU   6 -13.370   6.671   3.484
   52   3HD2  LEU   6          HD23      LEU   6 -14.081   5.565   2.308
   53    H    CYS   7           HN       CYS   7 -17.342  10.362   2.144
   54    HA   CYS   7           HA       CYS   7 -16.266  12.551   3.841
   55   1HB   CYS   7           HB2      CYS   7 -17.286  12.770   1.090
   56   2HB   CYS   7           HB1      CYS   7 -18.113  13.846   2.213
   57    H    GLY   8           HN       GLY   8 -18.460  13.977   4.341
   58   1HA   GLY   8           HA2      GLY   8 -20.427  13.984   5.604
   59   2HA   GLY   8           HA1      GLY   8 -20.999  12.799   4.428
   60    H    SER   9           HN       SER   9 -21.982  11.284   5.761
   61    HA   SER   9           HA       SER   9 -20.927  10.502   8.356
   62   1HB   SER   9           HB2      SER   9 -23.330  10.511   7.582
   63   2HB   SER   9           HB1      SER   9 -22.951   9.119   6.572
   64    HG   SER   9           HG       SER   9 -23.469   9.236   9.215
   65    H    HIS  10           HN       HIS  10 -20.655   9.217   5.085
   66    HA   HIS  10           HA       HIS  10 -19.745   6.582   5.675
   67   1HB   HIS  10           HB2      HIS  10 -20.515   7.443   3.476
   68   2HB   HIS  10           HB1      HIS  10 -19.043   8.407   3.355
   69    HD1  HIS  10           HD1      HIS  10 -20.049   4.751   3.778
   70    HD2  HIS  10           HD2      HIS  10 -16.916   7.028   2.236
   71    HE1  HIS  10           HE1      HIS  10 -18.443   3.119   2.698
   72    H    LEU  11           HN       LEU  11 -17.903   9.623   5.322
   73    HA   LEU  11           HA       LEU  11 -15.280   8.519   5.330
   74   1HB   LEU  11           HB2      LEU  11 -15.823  10.848   4.789
   75   2HB   LEU  11           HB1      LEU  11 -16.355  11.135   6.443
   76    HG   LEU  11           HG       LEU  11 -14.011  10.515   7.194
   77   1HD1  LEU  11          HD11      LEU  11 -13.584   9.403   4.861
   78   2HD1  LEU  11          HD12      LEU  11 -12.268  10.261   5.657
   79   3HD1  LEU  11          HD13      LEU  11 -13.167  11.040   4.358
   80   1HD2  LEU  11          HD21      LEU  11 -13.356  12.717   7.047
   81   2HD2  LEU  11          HD22      LEU  11 -15.028  12.904   6.520
   82   3HD2  LEU  11          HD23      LEU  11 -13.732  12.824   5.327
   83    H    VAL  12           HN       VAL  12 -17.236   9.672   8.121
   84    HA   VAL  12           HA       VAL  12 -15.315   9.093  10.145
   85    HB   VAL  12           HB       VAL  12 -18.352   9.069  10.185
   86   1HG1  VAL  12          HG11      VAL  12 -18.087   9.550  12.609
   87   2HG1  VAL  12          HG12      VAL  12 -16.345   9.332  12.446
   88   3HG1  VAL  12          HG13      VAL  12 -17.433   7.970  12.178
   89   1HG2  VAL  12          HG21      VAL  12 -16.813  11.346  11.290
   90   2HG2  VAL  12          HG22      VAL  12 -18.278  11.348  10.309
   91   3HG2  VAL  12          HG23      VAL  12 -16.703  11.154   9.540
   92    H    GLU  13           HN       GLU  13 -18.037   7.112   8.947
   93    HA   GLU  13           HA       GLU  13 -17.545   4.799  10.529
   94   1HB   GLU  13           HB2      GLU  13 -18.760   5.224   7.789
   95   2HB   GLU  13           HB1      GLU  13 -18.820   3.677   8.633
   96   1HG   GLU  13           HG2      GLU  13 -19.971   4.751  10.532
   97   2HG   GLU  13           HG1      GLU  13 -19.915   6.300   9.689
   98    H    ALA  14           HN       ALA  14 -16.323   5.727   7.327
   99    HA   ALA  14           HA       ALA  14 -14.908   3.334   6.719
  100   1HB   ALA  14           HB1      ALA  14 -14.343   6.212   5.945
  101   2HB   ALA  14           HB2      ALA  14 -15.482   5.141   5.129
  102   3HB   ALA  14           HB3      ALA  14 -13.755   4.787   5.089
  103    H    LEU  15           HN       LEU  15 -13.832   6.324   8.354
  104    HA   LEU  15           HA       LEU  15 -11.083   5.647   8.653
  105   1HB   LEU  15           HB2      LEU  15 -13.011   7.320  10.284
  106   2HB   LEU  15           HB1      LEU  15 -11.275   7.289  10.594
  107    HG   LEU  15           HG       LEU  15 -12.462   7.937   7.884
  108   1HD1  LEU  15          HD11      LEU  15 -11.399   9.877   9.956
  109   2HD1  LEU  15          HD12      LEU  15 -13.116   9.591   9.676
  110   3HD1  LEU  15          HD13      LEU  15 -12.116  10.277   8.395
  111   1HD2  LEU  15          HD21      LEU  15  -9.734   7.844   9.110
  112   2HD2  LEU  15          HD22      LEU  15 -10.054   9.083   7.896
  113   3HD2  LEU  15          HD23      LEU  15 -10.248   7.378   7.489
  114    H    TYR  16           HN       TYR  16 -13.811   5.097  10.914
  115    HA   TYR  16           HA       TYR  16 -12.318   3.819  12.981
  116   1HB   TYR  16           HB2      TYR  16 -14.657   4.666  13.129
  117   2HB   TYR  16           HB1      TYR  16 -15.180   3.353  12.073
  118    HD1  TYR  16           HD1      TYR  16 -15.184   1.024  12.852
  119    HD2  TYR  16           HD2      TYR  16 -13.966   4.239  15.428
  120    HE1  TYR  16           HE1      TYR  16 -15.352  -0.484  14.815
  121    HE2  TYR  16           HE2      TYR  16 -14.133   2.732  17.389
  122    HH   TYR  16           HH       TYR  16 -14.265  -0.562  17.168
  123    H    LEU  17           HN       LEU  17 -13.995   2.446  10.148
  124    HA   LEU  17           HA       LEU  17 -13.517  -0.298  10.714
  125   1HB   LEU  17           HB2      LEU  17 -13.983   1.263   8.194
  126   2HB   LEU  17           HB1      LEU  17 -13.949  -0.495   8.222
  127    HG   LEU  17           HG       LEU  17 -15.768   1.174   9.975
  128   1HD1  LEU  17          HD11      LEU  17 -17.552   0.642   8.399
  129   2HD1  LEU  17          HD12      LEU  17 -16.431  -0.279   7.396
  130   3HD1  LEU  17          HD13      LEU  17 -16.254   1.469   7.539
  131   1HD2  LEU  17          HD21      LEU  17 -15.619  -0.930  10.973
  132   2HD2  LEU  17          HD22      LEU  17 -15.360  -1.753   9.435
  133   3HD2  LEU  17          HD23      LEU  17 -16.969  -1.174   9.866
  134    H    VAL  18           HN       VAL  18 -11.601   2.043   8.819
  135    HA   VAL  18           HA       VAL  18  -9.682   0.095   7.886
  136    HB   VAL  18           HB       VAL  18  -9.551   3.092   8.140
  137   1HG1  VAL  18          HG11      VAL  18  -7.360   1.804   7.761
  138   2HG1  VAL  18          HG12      VAL  18  -7.756   3.054   6.581
  139   3HG1  VAL  18          HG13      VAL  18  -8.035   1.356   6.194
  140   1HG2  VAL  18          HG21      VAL  18 -11.453   1.950   6.775
  141   2HG2  VAL  18          HG22      VAL  18 -10.171   1.535   5.639
  142   3HG2  VAL  18          HG23      VAL  18 -10.519   3.226   5.996
  143    H    CYS  19           HN       CYS  19  -9.366   2.696  10.323
  144    HA   CYS  19           HA       CYS  19  -6.812   1.705  11.292
  145   1HB   CYS  19           HB2      CYS  19  -8.816   3.689  12.339
  146   2HB   CYS  19           HB1      CYS  19  -7.205   3.475  13.015
  147    H    GLY  20           HN       GLY  20 -10.122   1.683  12.637
  148   1HA   GLY  20           HA2      GLY  20 -11.121   0.092  14.052
  149   2HA   GLY  20           HA1      GLY  20  -9.625  -0.829  13.999
  150    H    GLU  21           HN       GLU  21  -8.972   2.402  14.844
  151    HA   GLU  21           HA       GLU  21  -9.339   1.934  17.739
  152   1HB   GLU  21           HB2      GLU  21  -6.736   2.291  16.254
  153   2HB   GLU  21           HB1      GLU  21  -6.869   2.645  17.976
  154   1HG   GLU  21           HG2      GLU  21  -7.604  -0.014  16.715
  155   2HG   GLU  21           HG1      GLU  21  -6.075   0.319  17.525
  156    H    ARG  22           HN       ARG  22  -9.062   3.917  19.001
  157    HA   ARG  22           HA       ARG  22  -9.424   6.393  17.388
  158   1HB   ARG  22           HB2      ARG  22 -10.474   5.468  20.070
  159   2HB   ARG  22           HB1      ARG  22 -10.666   7.123  19.490
  160   1HG   ARG  22           HG2      ARG  22 -11.887   6.345  17.531
  161   2HG   ARG  22           HG1      ARG  22 -11.606   4.664  17.987
  162   1HD   ARG  22           HD2      ARG  22 -12.928   4.970  20.039
  163   2HD   ARG  22           HD1      ARG  22 -13.182   6.679  19.633
  164    HE   ARG  22           HE       ARG  22 -13.956   5.072  17.392
  165   1HH1  ARG  22          HH11      ARG  22 -14.917   4.266  20.424
  166   2HH1  ARG  22          HH12      ARG  22 -16.583   4.705  20.243
  167   1HH2  ARG  22          HH21      ARG  22 -16.099   6.340  17.224
  168   2HH2  ARG  22          HH22      ARG  22 -17.252   5.880  18.431
  169    H    GLY  23           HN       GLY  23  -6.868   5.116  18.460
  170   1HA   GLY  23           HA2      GLY  23  -5.929   6.634  20.703
  171   2HA   GLY  23           HA1      GLY  23  -4.907   5.773  19.556
  172    H    PHE  24           HN       PHE  24  -5.797   7.232  17.201
  173    HA   PHE  24           HA       PHE  24  -4.024   9.519  17.425
  174   1HB   PHE  24           HB2      PHE  24  -4.587   9.808  15.046
  175   2HB   PHE  24           HB1      PHE  24  -4.254   8.117  15.404
  176    HD1  PHE  24           HD1      PHE  24  -6.952  10.592  14.790
  177    HD2  PHE  24           HD2      PHE  24  -5.948   6.432  15.163
  178    HE1  PHE  24           HE1      PHE  24  -9.173   9.975  13.878
  179    HE2  PHE  24           HE2      PHE  24  -8.172   5.815  14.256
  180    HZ   PHE  24           HZ       PHE  24  -9.784   7.586  13.612
  181    H    PHE  25           HN       PHE  25  -4.545  11.715  17.443
  182    HA   PHE  25           HA       PHE  25  -7.149  12.446  18.530
  183   1HB   PHE  25           HB2      PHE  25  -4.702  13.290  19.018
  184   2HB   PHE  25           HB1      PHE  25  -5.017  14.369  17.660
  185    HD1  PHE  25           HD1      PHE  25  -7.105  15.843  17.735
  186    HD2  PHE  25           HD2      PHE  25  -5.600  13.738  21.161
  187    HE1  PHE  25           HE1      PHE  25  -8.393  17.349  19.223
  188    HE2  PHE  25           HE2      PHE  25  -6.894  15.241  22.651
  189    HZ   PHE  25           HZ       PHE  25  -8.289  17.048  21.682
  190    H    TYR  26           HN       TYR  26  -5.852  12.174  15.370
  191    HA   TYR  26           HA       TYR  26  -6.610  12.889  13.265
  192   1HB   TYR  26           HB2      TYR  26  -8.684  11.900  14.574
  193   2HB   TYR  26           HB1      TYR  26  -9.228  13.579  14.565
  194    HD1  TYR  26           HD1      TYR  26  -7.908  10.906  12.302
  195    HD2  TYR  26           HD2      TYR  26 -10.291  14.462  12.662
  196    HE1  TYR  26           HE1      TYR  26  -8.638  10.655   9.946
  197    HE2  TYR  26           HE2      TYR  26 -11.020  14.211  10.304
  198    HH   TYR  26           HH       TYR  26  -9.720  12.834   8.117
  199    H    THR  27           HN       THR  27  -5.230  14.792  13.295
  200    HA   THR  27           HA       THR  27  -6.769  17.326  13.509
  201    HB   THR  27           HB       THR  27  -4.805  18.319  14.671
  202    HG1  THR  27           HG1      THR  27  -3.029  17.237  14.671
  203   1HG2  THR  27          HG21      THR  27  -5.270  17.395  16.806
  204   2HG2  THR  27          HG22      THR  27  -5.661  15.817  16.123
  205   3HG2  THR  27          HG23      THR  27  -6.755  17.179  15.879
  206    HA   PRO  28           HA       PRO  28  -4.752  18.286   9.710
  207   1HB   PRO  28           HB2      PRO  28  -4.514  21.005   9.848
  208   2HB   PRO  28           HB1      PRO  28  -6.065  20.184   9.581
  209   1HG   PRO  28           HG2      PRO  28  -4.952  21.364  12.074
  210   2HG   PRO  28           HG1      PRO  28  -6.616  21.365  11.469
  211   1HD   PRO  28           HD2      PRO  28  -5.717  19.693  13.433
  212   2HD   PRO  28           HD1      PRO  28  -7.074  19.309  12.352
  213    H    LYS  29           HN       LYS  29  -2.645  17.490   9.738
  214    HA   LYS  29           HA       LYS  29  -0.545  18.475  11.441
  215   1HB   LYS  29           HB2      LYS  29  -0.635  16.204  10.473
  216   2HB   LYS  29           HB1      LYS  29  -0.476  16.888   8.855
  217   1HG   LYS  29           HG2      LYS  29   1.731  17.753   9.370
  218   2HG   LYS  29           HG1      LYS  29   1.567  17.279  11.060
  219   1HD   LYS  29           HD2      LYS  29   2.933  15.628   9.896
  220   2HD   LYS  29           HD1      LYS  29   1.390  14.897  10.338
  221   1HE   LYS  29           HE2      LYS  29   1.329  16.204   7.698
  222   2HE   LYS  29           HE1      LYS  29   2.467  14.845   7.795
  223   1HZ   LYS  29           HZ1      LYS  29   0.794  13.423   8.603
  224   2HZ   LYS  29           HZ2      LYS  29   0.083  14.241   7.295
  225   3HZ   LYS  29           HZ3      LYS  29  -0.285  14.700   8.889
  226    H    THR  30           HN       THR  30  -1.846  19.593   8.412
  227    HA   THR  30           HA       THR  30   0.120  21.764   8.329
  228    HB   THR  30           HB       THR  30  -0.223  19.629   6.202
  229    HG1  THR  30           HG1      THR  30   2.096  19.567   6.540
  230   1HG2  THR  30          HG21      THR  30  -0.117  21.715   5.002
  231   2HG2  THR  30          HG22      THR  30   1.487  20.987   4.919
  232   3HG2  THR  30          HG23      THR  30   1.178  22.312   6.041
  233    H    ARG  31           HN       ARG  31  -1.507  23.287   8.501
  234    HA   ARG  31           HA       ARG  31  -3.303  23.619   6.185
  235   1HB   ARG  31           HB2      ARG  31  -4.078  23.180   9.058
  236   2HB   ARG  31           HB1      ARG  31  -5.112  24.158   8.020
  237   1HG   ARG  31           HG2      ARG  31  -4.202  21.368   7.277
  238   2HG   ARG  31           HG1      ARG  31  -5.711  21.693   8.124
  239   1HD   ARG  31           HD2      ARG  31  -5.068  23.122   5.536
  240   2HD   ARG  31           HD1      ARG  31  -5.832  21.522   5.538
  241    HE   ARG  31           HE       ARG  31  -7.732  22.470   6.704
  242   1HH1  ARG  31          HH11      ARG  31  -6.882  24.553   4.527
  243   2HH1  ARG  31          HH12      ARG  31  -7.123  26.019   5.418
  244   1HH2  ARG  31          HH21      ARG  31  -7.336  24.431   8.492
  245   2HH2  ARG  31          HH22      ARG  31  -7.379  25.950   7.661
  246    H    ARG  32           HN       ARG  32  -3.933  25.814   5.883
  247    HA   ARG  32           HA       ARG  32  -2.087  27.815   6.668
  248   1HB   ARG  32           HB2      ARG  32  -3.646  27.751   4.686
  249   2HB   ARG  32           HB1      ARG  32  -4.960  28.177   5.782
  250   1HG   ARG  32           HG2      ARG  32  -3.802  30.245   6.406
  251   2HG   ARG  32           HG1      ARG  32  -2.445  29.816   5.364
  252   1HD   ARG  32           HD2      ARG  32  -4.156  29.709   3.442
  253   2HD   ARG  32           HD1      ARG  32  -5.262  30.553   4.544
  254    HE   ARG  32           HE       ARG  32  -3.659  32.405   4.649
  255   1HH1  ARG  32          HH11      ARG  32  -1.571  30.171   3.614
  256   2HH1  ARG  32          HH12      ARG  32  -1.066  30.966   2.161
  257   1HH2  ARG  32          HH21      ARG  32  -3.611  33.319   2.247
  258   2HH2  ARG  32          HH22      ARG  32  -2.220  32.747   1.387
  259    H    TYR  33           HN       TYR  33  -5.294  27.007   8.016
  260    HA   TYR  33           HA       TYR  33  -4.577  28.393  10.533
  261   1HB   TYR  33           HB2      TYR  33  -5.711  29.900   8.676
  262   2HB   TYR  33           HB1      TYR  33  -7.169  29.101   9.249
  263    HD1  TYR  33           HD1      TYR  33  -5.486  32.025   9.609
  264    HD2  TYR  33           HD2      TYR  33  -6.956  28.820  12.067
  265    HE1  TYR  33           HE1      TYR  33  -5.564  33.553  11.561
  266    HE2  TYR  33           HE2      TYR  33  -7.030  30.348  14.015
  267    HH   TYR  33           HH       TYR  33  -6.789  33.706  13.727
  268    HA   PRO  34           HA       PRO  34  -7.156  24.655  11.190
  269   1HB   PRO  34           HB2      PRO  34  -5.751  23.684  13.320
  270   2HB   PRO  34           HB1      PRO  34  -5.286  23.366  11.638
  271   1HG   PRO  34           HG2      PRO  34  -4.120  25.258  13.596
  272   2HG   PRO  34           HG1      PRO  34  -3.335  24.339  12.304
  273   1HD   PRO  34           HD2      PRO  34  -3.990  27.028  12.183
  274   2HD   PRO  34           HD1      PRO  34  -3.666  25.986  10.781
  275    H    GLY  35           HN       GLY  35  -8.067  23.894  13.499
  276   1HA   GLY  35           HA2      GLY  35  -8.796  24.544  15.716
  277   2HA   GLY  35           HA1      GLY  35  -8.404  26.217  15.322
  278    H    ASP  36           HN       ASP  36 -10.910  23.976  15.573
  279    HA   ASP  36           HA       ASP  36 -13.203  24.038  14.995
  280   1HB   ASP  36           HB2      ASP  36 -12.397  26.958  15.143
  281   2HB   ASP  36           HB1      ASP  36 -14.074  26.420  15.062
  282    H    VAL  37           HN       VAL  37 -11.699  23.452  12.767
  283    HA   VAL  37           HA       VAL  37 -12.162  25.268  10.560
  284    HB   VAL  37           HB       VAL  37 -11.399  22.334  10.688
  285   1HG1  VAL  37          HG11      VAL  37 -11.303  22.329   8.437
  286   2HG1  VAL  37          HG12      VAL  37 -10.351  23.812   8.420
  287   3HG1  VAL  37          HG13      VAL  37 -12.111  23.895   8.444
  288   1HG2  VAL  37          HG21      VAL  37  -9.135  23.050  10.708
  289   2HG2  VAL  37          HG22      VAL  37  -9.937  24.103  11.874
  290   3HG2  VAL  37          HG23      VAL  37  -9.567  24.699  10.256
  291    H    LYS  38           HN       LYS  38 -13.696  25.025   8.880
  292    HA   LYS  38           HA       LYS  38 -16.293  23.976   9.614
  293   1HB   LYS  38           HB2      LYS  38 -15.079  24.941   6.999
  294   2HB   LYS  38           HB1      LYS  38 -16.805  24.672   7.255
  295   1HG   LYS  38           HG2      LYS  38 -16.796  26.323   9.088
  296   2HG   LYS  38           HG1      LYS  38 -15.073  26.597   8.834
  297   1HD   LYS  38           HD2      LYS  38 -15.528  27.364   6.535
  298   2HD   LYS  38           HD1      LYS  38 -17.254  27.093   6.785
  299   1HE   LYS  38           HE2      LYS  38 -17.479  28.935   8.182
  300   2HE   LYS  38           HE1      LYS  38 -15.805  28.829   8.757
  301   1HZ   LYS  38           HZ1      LYS  38 -16.409  30.652   7.053
  302   2HZ   LYS  38           HZ2      LYS  38 -16.367  29.396   5.911
  303   3HZ   LYS  38           HZ3      LYS  38 -14.982  29.766   6.825
  304    H    ARG  39           HN       ARG  39 -13.641  22.839   7.568
  305    HA   ARG  39           HA       ARG  39 -14.624  20.095   7.698
  306   1HB   ARG  39           HB2      ARG  39 -14.442  21.711   5.138
  307   2HB   ARG  39           HB1      ARG  39 -14.518  19.951   5.151
  308   1HG   ARG  39           HG2      ARG  39 -16.662  20.152   6.489
  309   2HG   ARG  39           HG1      ARG  39 -16.614  21.885   6.164
  310   1HD   ARG  39           HD2      ARG  39 -16.576  21.406   3.717
  311   2HD   ARG  39           HD1      ARG  39 -16.735  19.677   4.082
  312    HE   ARG  39           HE       ARG  39 -18.764  21.145   5.491
  313   1HH1  ARG  39          HH11      ARG  39 -18.202  21.678   2.307
  314   2HH1  ARG  39          HH12      ARG  39 -19.636  20.915   1.705
  315   1HH2  ARG  39          HH21      ARG  39 -20.456  19.459   4.744
  316   2HH2  ARG  39          HH22      ARG  39 -20.912  19.658   3.085
  317    H    GLY  40           HN       GLY  40 -12.426  22.107   5.731
  318   1HA   GLY  40           HA2      GLY  40 -10.120  21.941   5.336
  319   2HA   GLY  40           HA1      GLY  40 -10.013  21.409   7.012
  320    H    ILE  41           HN       ILE  41 -10.079  19.166   7.462
  321    HA   ILE  41           HA       ILE  41  -8.732  17.458   5.587
  322    HB   ILE  41           HB       ILE  41 -10.366  16.858   8.083
  323   1HG1  ILE  41          HG12      ILE  41  -7.363  17.118   7.836
  324   2HG1  ILE  41          HG11      ILE  41  -8.388  18.501   8.220
  325   1HG2  ILE  41          HG21      ILE  41  -8.733  14.868   8.166
  326   2HG2  ILE  41          HG22      ILE  41  -8.405  15.218   6.469
  327   3HG2  ILE  41          HG23      ILE  41 -10.035  14.778   6.980
  328   1HD1  ILE  41          HD11      ILE  41  -7.528  17.428  10.275
  329   2HD1  ILE  41          HD12      ILE  41  -8.282  15.908   9.791
  330   3HD1  ILE  41          HD13      ILE  41  -9.285  17.307  10.177
  331    H    VAL  42           HN       VAL  42 -12.140  17.745   6.555
  332    HA   VAL  42           HA       VAL  42 -13.167  15.530   5.069
  333    HB   VAL  42           HB       VAL  42 -14.383  18.145   5.932
  334   1HG1  VAL  42          HG11      VAL  42 -16.418  17.465   5.202
  335   2HG1  VAL  42          HG12      VAL  42 -16.149  15.808   5.740
  336   3HG1  VAL  42          HG13      VAL  42 -15.525  16.339   4.181
  337   1HG2  VAL  42          HG21      VAL  42 -14.228  15.416   7.223
  338   2HG2  VAL  42          HG22      VAL  42 -15.246  16.726   7.820
  339   3HG2  VAL  42          HG23      VAL  42 -13.492  16.908   7.807
  340    H    GLU  43           HN       GLU  43 -12.921  18.988   4.217
  341    HA   GLU  43           HA       GLU  43 -14.087  18.839   1.631
  342   1HB   GLU  43           HB2      GLU  43 -12.207  20.648   3.092
  343   2HB   GLU  43           HB1      GLU  43 -12.440  20.909   1.363
  344   1HG   GLU  43           HG2      GLU  43 -14.830  20.539   3.138
  345   2HG   GLU  43           HG1      GLU  43 -14.031  22.110   3.075
  346    H    GLN  44           HN       GLN  44 -10.812  18.082   2.703
  347    HA   GLN  44           HA       GLN  44  -9.440  18.180   0.214
  348   1HB   GLN  44           HB2      GLN  44  -8.406  17.954   2.440
  349   2HB   GLN  44           HB1      GLN  44  -9.095  16.340   2.605
  350   1HG   GLN  44           HG2      GLN  44  -7.809  15.585   0.637
  351   2HG   GLN  44           HG1      GLN  44  -7.116  17.198   0.472
  352   1HE2  GLN  44          HE21      GLN  44  -5.315  15.121   0.852
  353   2HE2  GLN  44          HE22      GLN  44  -4.677  15.171   2.424
  354    H    CYS  45           HN       CYS  45 -11.037  15.340   1.757
  355    HA   CYS  45           HA       CYS  45 -10.643  13.733  -0.682
  356   1HB   CYS  45           HB2      CYS  45 -11.875  13.297   2.042
  357   2HB   CYS  45           HB1      CYS  45 -11.936  12.063   0.785
  358    H    CYS  46           HN       CYS  46 -13.046  15.922   0.426
  359    HA   CYS  46           HA       CYS  46 -15.410  14.630  -0.622
  360   1HB   CYS  46           HB2      CYS  46 -14.559  17.212   0.501
  361   2HB   CYS  46           HB1      CYS  46 -15.859  17.358  -0.675
  362    H    THR  47           HN       THR  47 -13.208  17.099  -2.002
  363    HA   THR  47           HA       THR  47 -14.666  17.316  -4.505
  364    HB   THR  47           HB       THR  47 -11.825  18.049  -3.716
  365    HG1  THR  47           HG1      THR  47 -12.758  19.605  -2.693
  366   1HG2  THR  47          HG21      THR  47 -13.530  19.208  -5.932
  367   2HG2  THR  47          HG22      THR  47 -12.332  17.943  -6.202
  368   3HG2  THR  47          HG23      THR  47 -11.825  19.525  -5.611
  369    H    SER  48           HN       SER  48 -11.689  15.596  -3.532
  370    HA   SER  48           HA       SER  48 -11.704  14.166  -6.163
  371   1HB   SER  48           HB2      SER  48  -9.522  14.388  -4.071
  372   2HB   SER  48           HB1      SER  48  -9.343  13.840  -5.736
  373    HG   SER  48           HG       SER  48  -9.948  15.938  -6.402
  374    H    ILE  49           HN       ILE  49 -10.259  11.933  -5.501
  375    HA   ILE  49           HA       ILE  49 -11.985  10.546  -3.472
  376    HB   ILE  49           HB       ILE  49 -10.694   9.519  -6.028
  377   1HG1  ILE  49          HG12      ILE  49 -13.632   9.914  -5.384
  378   2HG1  ILE  49          HG11      ILE  49 -12.669  11.099  -6.268
  379   1HG2  ILE  49          HG21      ILE  49 -12.504   8.193  -3.986
  380   2HG2  ILE  49          HG22      ILE  49 -10.843   7.746  -4.373
  381   3HG2  ILE  49          HG23      ILE  49 -12.121   7.500  -5.561
  382   1HD1  ILE  49          HD11      ILE  49 -14.016   9.383  -7.661
  383   2HD1  ILE  49          HD12      ILE  49 -12.797   8.214  -7.154
  384   3HD1  ILE  49          HD13      ILE  49 -12.324   9.630  -8.092
  385    H    CYS  50           HN       CYS  50 -10.822   9.865  -1.729
  386    HA   CYS  50           HA       CYS  50  -7.858   9.731  -1.908
  387   1HB   CYS  50           HB2      CYS  50  -9.849   9.631   0.385
  388   2HB   CYS  50           HB1      CYS  50  -8.096   9.642   0.586
  389    H    SER  51           HN       SER  51  -6.826   7.780  -2.015
  390    HA   SER  51           HA       SER  51  -8.361   5.290  -2.059
  391   1HB   SER  51           HB2      SER  51  -6.148   4.357  -2.636
  392   2HB   SER  51           HB1      SER  51  -6.479   5.805  -3.581
  393    HG   SER  51           HG       SER  51  -4.444   5.330  -1.956
  394    H    LEU  52           HN       LEU  52  -7.677   3.411  -0.716
  395    HA   LEU  52           HA       LEU  52  -7.817   3.889   2.070
  396   1HB   LEU  52           HB2      LEU  52  -8.408   1.781   0.910
  397   2HB   LEU  52           HB1      LEU  52  -6.704   1.511   0.545
  398    HG   LEU  52           HG       LEU  52  -6.261   1.599   3.040
  399   1HD1  LEU  52          HD11      LEU  52  -9.142   2.152   2.990
  400   2HD1  LEU  52          HD12      LEU  52  -7.969   2.418   4.279
  401   3HD1  LEU  52          HD13      LEU  52  -8.720   0.836   4.085
  402   1HD2  LEU  52          HD21      LEU  52  -7.316  -0.707   3.422
  403   2HD2  LEU  52          HD22      LEU  52  -6.272  -0.553   2.009
  404   3HD2  LEU  52          HD23      LEU  52  -8.025  -0.534   1.816
  405    H    TYR  53           HN       TYR  53  -5.006   3.371  -0.046
  406    HA   TYR  53           HA       TYR  53  -2.981   3.071   1.911
  407   1HB   TYR  53           HB2      TYR  53  -2.842   2.764  -0.581
  408   2HB   TYR  53           HB1      TYR  53  -2.792   4.517  -0.720
  409    HD1  TYR  53           HD1      TYR  53  -0.844   5.803   0.011
  410    HD2  TYR  53           HD2      TYR  53  -0.985   1.530   0.422
  411    HE1  TYR  53           HE1      TYR  53   1.593   5.766   0.478
  412    HE2  TYR  53           HE2      TYR  53   1.449   1.492   0.887
  413    HH   TYR  53           HH       TYR  53   3.224   4.291   1.616
  414    H    GLN  54           HN       GLN  54  -4.315   6.054   0.472
  415    HA   GLN  54           HA       GLN  54  -2.557   7.855   1.896
  416   1HB   GLN  54           HB2      GLN  54  -5.272   8.134   0.568
  417   2HB   GLN  54           HB1      GLN  54  -4.374   9.509   1.216
  418   1HG   GLN  54           HG2      GLN  54  -2.463   8.956  -0.244
  419   2HG   GLN  54           HG1      GLN  54  -3.356   7.583  -0.896
  420   1HE2  GLN  54          HE21      GLN  54  -2.632   9.309  -2.826
  421   2HE2  GLN  54          HE22      GLN  54  -3.913  10.310  -3.314
  422    H    LEU  55           HN       LEU  55  -5.768   6.474   2.554
  423    HA   LEU  55           HA       LEU  55  -6.422   7.952   4.912
  424   1HB   LEU  55           HB2      LEU  55  -7.008   5.093   4.062
  425   2HB   LEU  55           HB1      LEU  55  -7.854   5.936   5.357
  426    HG   LEU  55           HG       LEU  55  -7.731   6.896   2.486
  427   1HD1  LEU  55          HD11      LEU  55  -9.665   5.769   2.036
  428   2HD1  LEU  55          HD12      LEU  55 -10.292   5.988   3.669
  429   3HD1  LEU  55          HD13      LEU  55  -9.121   4.712   3.339
  430   1HD2  LEU  55          HD21      LEU  55  -9.895   8.078   3.699
  431   2HD2  LEU  55          HD22      LEU  55  -8.311   8.835   3.535
  432   3HD2  LEU  55          HD23      LEU  55  -8.742   8.008   5.032
  433    H    GLU  56           HN       GLU  56  -4.594   4.944   4.434
  434    HA   GLU  56           HA       GLU  56  -4.087   4.280   7.161
  435   1HB   GLU  56           HB2      GLU  56  -2.560   3.833   4.582
  436   2HB   GLU  56           HB1      GLU  56  -2.106   3.075   6.108
  437   1HG   GLU  56           HG2      GLU  56  -4.339   2.039   6.263
  438   2HG   GLU  56           HG1      GLU  56  -4.797   2.793   4.736
  439    H    ASN  57           HN       ASN  57  -2.329   6.375   4.889
  440    HA   ASN  57           HA       ASN  57  -0.029   6.916   6.481
  441   1HB   ASN  57           HB2      ASN  57  -0.311   7.467   4.086
  442   2HB   ASN  57           HB1      ASN  57  -1.540   8.661   4.502
  443   1HD2  ASN  57          HD21      ASN  57   1.668   7.960   6.000
  444   2HD2  ASN  57          HD22      ASN  57   2.256   9.543   5.829
  445    H    TYR  58           HN       TYR  58  -3.141   8.682   6.271
  446    HA   TYR  58           HA       TYR  58  -2.530  10.703   8.202
  447   1HB   TYR  58           HB2      TYR  58  -5.153   9.396   7.413
  448   2HB   TYR  58           HB1      TYR  58  -5.010  10.907   8.310
  449    HD1  TYR  58           HD1      TYR  58  -2.904  12.387   7.046
  450    HD2  TYR  58           HD2      TYR  58  -5.841   9.834   5.226
  451    HE1  TYR  58           HE1      TYR  58  -2.670  13.635   4.917
  452    HE2  TYR  58           HE2      TYR  58  -5.604  11.080   3.096
  453    HH   TYR  58           HH       TYR  58  -3.077  13.403   2.589
  454    H    CYS  59           HN       CYS  59  -3.517   7.351   8.537
  455    HA   CYS  59           HA       CYS  59  -4.157   7.625  11.406
  456   1HB   CYS  59           HB2      CYS  59  -5.123   6.078   9.451
  457   2HB   CYS  59           HB1      CYS  59  -3.817   5.016   9.974
  458    H    ASN  60           HN       ASN  60  -1.682   8.500  11.368
  459    HA   ASN  60           HA       ASN  60   0.453   6.557  11.328
  460   1HB   ASN  60           HB2      ASN  60   0.050   9.305  12.526
  461   2HB   ASN  60           HB1      ASN  60   1.579   8.441  12.687
  462   1HD2  ASN  60          HD21      ASN  60   1.036  10.939  11.116
  463   2HD2  ASN  60          HD22      ASN  60   1.467  10.572   9.516
  Start of MODEL   14
    1   1H    PHE   1           HT1      PHE   1 -21.883  -4.538  -6.773
    2   2H    PHE   1           HT2      PHE   1 -22.456  -4.725  -5.184
    3   3H    PHE   1           HT3      PHE   1 -21.544  -5.960  -5.912
    4    HA   PHE   1           HA       PHE   1 -20.277  -4.565  -4.270
    5   1HB   PHE   1           HB2      PHE   1 -19.305  -5.994  -6.049
    6   2HB   PHE   1           HB1      PHE   1 -19.441  -4.658  -7.191
    7    HD1  PHE   1           HD1      PHE   1 -17.644  -5.955  -4.248
    8    HD2  PHE   1           HD2      PHE   1 -17.981  -2.703  -7.034
    9    HE1  PHE   1           HE1      PHE   1 -15.450  -5.079  -3.491
   10    HE2  PHE   1           HE2      PHE   1 -15.787  -1.828  -6.277
   11    HZ   PHE   1           HZ       PHE   1 -14.522  -3.016  -4.507
   12    H    VAL   2           HN       VAL   2 -20.459  -2.466  -3.533
   13    HA   VAL   2           HA       VAL   2 -20.416  -0.275  -5.522
   14    HB   VAL   2           HB       VAL   2 -22.028   0.870  -4.014
   15   1HG1  VAL   2          HG11      VAL   2 -23.961  -0.721  -4.443
   16   2HG1  VAL   2          HG12      VAL   2 -22.769  -1.875  -5.042
   17   3HG1  VAL   2          HG13      VAL   2 -22.986  -0.327  -5.859
   18   1HG2  VAL   2          HG21      VAL   2 -22.915  -0.144  -2.087
   19   2HG2  VAL   2          HG22      VAL   2 -21.211  -0.588  -2.003
   20   3HG2  VAL   2          HG23      VAL   2 -22.398  -1.754  -2.586
   21    H    ASN   3           HN       ASN   3 -19.540   1.741  -4.640
   22    HA   ASN   3           HA       ASN   3 -18.093   1.676  -2.078
   23   1HB   ASN   3           HB2      ASN   3 -16.690   0.458  -3.802
   24   2HB   ASN   3           HB1      ASN   3 -16.634   1.957  -4.728
   25   1HD2  ASN   3          HD21      ASN   3 -14.269   0.713  -3.614
   26   2HD2  ASN   3          HD22      ASN   3 -13.640   1.760  -2.435
   27    H    GLN   4           HN       GLN   4 -19.227   3.540  -1.540
   28    HA   GLN   4           HA       GLN   4 -19.527   5.794  -3.369
   29   1HB   GLN   4           HB2      GLN   4 -20.025   5.478  -0.396
   30   2HB   GLN   4           HB1      GLN   4 -20.642   6.785  -1.399
   31   1HG   GLN   4           HG2      GLN   4 -21.874   5.151  -2.788
   32   2HG   GLN   4           HG1      GLN   4 -21.264   3.832  -1.784
   33   1HE2  GLN   4          HE21      GLN   4 -24.113   4.934  -2.190
   34   2HE2  GLN   4          HE22      GLN   4 -24.672   5.221  -0.614
   35    H    HIS   5           HN       HIS   5 -18.772   7.984  -2.774
   36    HA   HIS   5           HA       HIS   5 -15.910   8.056  -2.263
   37   1HB   HIS   5           HB2      HIS   5 -18.058  10.185  -2.532
   38   2HB   HIS   5           HB1      HIS   5 -16.329  10.523  -2.506
   39    HD1  HIS   5           HD1      HIS   5 -14.917   9.715  -4.558
   40    HD2  HIS   5           HD2      HIS   5 -19.019   9.087  -4.956
   41    HE1  HIS   5           HE1      HIS   5 -15.327   9.184  -7.001
   42    H    LEU   6           HN       LEU   6 -14.846   8.777  -0.389
   43    HA   LEU   6           HA       LEU   6 -16.256   8.606   2.131
   44   1HB   LEU   6           HB2      LEU   6 -13.466   9.459   1.311
   45   2HB   LEU   6           HB1      LEU   6 -13.973   9.303   2.993
   46    HG   LEU   6           HG       LEU   6 -14.080   7.076   0.936
   47   1HD1  LEU   6          HD11      LEU   6 -12.046   6.330   1.699
   48   2HD1  LEU   6          HD12      LEU   6 -12.306   6.965   3.324
   49   3HD1  LEU   6          HD13      LEU   6 -11.809   8.047   2.023
   50   1HD2  LEU   6          HD21      LEU   6 -15.709   6.486   2.484
   51   2HD2  LEU   6          HD22      LEU   6 -14.925   7.364   3.797
   52   3HD2  LEU   6          HD23      LEU   6 -14.279   5.812   3.265
   53    H    CYS   7           HN       CYS   7 -17.861  10.329   1.841
   54    HA   CYS   7           HA       CYS   7 -16.808  12.983   2.650
   55   1HB   CYS   7           HB2      CYS   7 -17.999  12.229   0.032
   56   2HB   CYS   7           HB1      CYS   7 -18.595  13.732   0.737
   57    H    GLY   8           HN       GLY   8 -18.819  14.474   3.042
   58   1HA   GLY   8           HA2      GLY   8 -20.735  14.836   4.342
   59   2HA   GLY   8           HA1      GLY   8 -21.442  13.536   3.378
   60    H    SER   9           HN       SER   9 -22.379  12.125   4.830
   61    HA   SER   9           HA       SER   9 -21.398  11.756   7.548
   62   1HB   SER   9           HB2      SER   9 -23.445  10.350   5.813
   63   2HB   SER   9           HB1      SER   9 -23.212   9.993   7.522
   64    HG   SER   9           HG       SER   9 -24.864  11.587   7.040
   65    H    HIS  10           HN       HIS  10 -21.013  10.023   4.500
   66    HA   HIS  10           HA       HIS  10 -20.070   7.526   5.513
   67   1HB   HIS  10           HB2      HIS  10 -20.827   8.046   3.187
   68   2HB   HIS  10           HB1      HIS  10 -19.327   8.941   2.937
   69    HD1  HIS  10           HD1      HIS  10 -19.582   5.691   4.853
   70    HD2  HIS  10           HD2      HIS  10 -18.076   7.082   1.225
   71    HE1  HIS  10           HE1      HIS  10 -18.231   3.791   3.862
   72    H    LEU  11           HN       LEU  11 -18.316  10.546   4.783
   73    HA   LEU  11           HA       LEU  11 -15.658   9.534   4.975
   74   1HB   LEU  11           HB2      LEU  11 -16.281  11.767   4.138
   75   2HB   LEU  11           HB1      LEU  11 -16.805  12.239   5.754
   76    HG   LEU  11           HG       LEU  11 -14.046  11.159   5.570
   77   1HD1  LEU  11          HD11      LEU  11 -13.188  13.409   4.823
   78   2HD1  LEU  11          HD12      LEU  11 -14.838  13.819   4.353
   79   3HD1  LEU  11          HD13      LEU  11 -13.997  12.491   3.557
   80   1HD2  LEU  11          HD21      LEU  11 -13.683  13.158   7.083
   81   2HD2  LEU  11          HD22      LEU  11 -14.866  11.994   7.680
   82   3HD2  LEU  11          HD23      LEU  11 -15.408  13.497   6.934
   83    H    VAL  12           HN       VAL  12 -17.808  10.823   7.530
   84    HA   VAL  12           HA       VAL  12 -15.928  10.630   9.682
   85    HB   VAL  12           HB       VAL  12 -18.959  10.491   9.543
   86   1HG1  VAL  12          HG11      VAL  12 -18.816  11.245  11.961
   87   2HG1  VAL  12          HG12      VAL  12 -17.106  10.815  11.919
   88   3HG1  VAL  12          HG13      VAL  12 -18.334   9.572  11.679
   89   1HG2  VAL  12          HG21      VAL  12 -16.926  12.694   9.886
   90   2HG2  VAL  12          HG22      VAL  12 -18.591  12.899  10.431
   91   3HG2  VAL  12          HG23      VAL  12 -18.252  12.594   8.727
   92    H    GLU  13           HN       GLU  13 -18.384   8.336   8.479
   93    HA   GLU  13           HA       GLU  13 -17.985   6.268  10.385
   94   1HB   GLU  13           HB2      GLU  13 -18.814   6.282   7.473
   95   2HB   GLU  13           HB1      GLU  13 -18.912   4.844   8.488
   96   1HG   GLU  13           HG2      GLU  13 -20.392   6.043  10.054
   97   2HG   GLU  13           HG1      GLU  13 -20.296   7.485   9.042
   98    H    ALA  14           HN       ALA  14 -16.388   6.849   7.258
   99    HA   ALA  14           HA       ALA  14 -14.785   4.492   7.200
  100   1HB   ALA  14           HB1      ALA  14 -13.365   6.349   5.790
  101   2HB   ALA  14           HB2      ALA  14 -14.950   7.119   5.861
  102   3HB   ALA  14           HB3      ALA  14 -14.783   5.509   5.162
  103    H    LEU  15           HN       LEU  15 -14.118   7.738   8.517
  104    HA   LEU  15           HA       LEU  15 -11.360   7.379   9.135
  105   1HB   LEU  15           HB2      LEU  15 -13.590   9.005  10.386
  106   2HB   LEU  15           HB1      LEU  15 -11.895   9.196  10.838
  107    HG   LEU  15           HG       LEU  15 -12.881   9.406   7.982
  108   1HD1  LEU  15          HD11      LEU  15 -12.398  11.566  10.055
  109   2HD1  LEU  15          HD12      LEU  15 -13.921  11.198   9.246
  110   3HD1  LEU  15          HD13      LEU  15 -12.577  11.878   8.328
  111   1HD2  LEU  15          HD21      LEU  15 -10.599   9.072   7.816
  112   2HD2  LEU  15          HD22      LEU  15 -10.281   9.724   9.423
  113   3HD2  LEU  15          HD23      LEU  15 -10.606  10.816   8.077
  114    H    TYR  16           HN       TYR  16 -14.256   6.756  11.146
  115    HA   TYR  16           HA       TYR  16 -12.908   5.872  13.505
  116   1HB   TYR  16           HB2      TYR  16 -15.332   6.436  13.240
  117   2HB   TYR  16           HB1      TYR  16 -15.550   4.944  12.324
  118    HD1  TYR  16           HD1      TYR  16 -15.324   2.743  13.422
  119    HD2  TYR  16           HD2      TYR  16 -14.983   6.406  15.634
  120    HE1  TYR  16           HE1      TYR  16 -15.596   1.487  15.543
  121    HE2  TYR  16           HE2      TYR  16 -15.251   5.152  17.757
  122    HH   TYR  16           HH       TYR  16 -14.786   2.647  18.481
  123    H    LEU  17           HN       LEU  17 -14.204   3.986  10.769
  124    HA   LEU  17           HA       LEU  17 -13.429   1.401  11.604
  125   1HB   LEU  17           HB2      LEU  17 -13.746   2.666   8.896
  126   2HB   LEU  17           HB1      LEU  17 -13.621   0.930   9.141
  127    HG   LEU  17           HG       LEU  17 -15.705   2.644  10.513
  128   1HD1  LEU  17          HD11      LEU  17 -16.053   0.936   8.032
  129   2HD1  LEU  17          HD12      LEU  17 -15.900   2.692   8.000
  130   3HD1  LEU  17          HD13      LEU  17 -17.276   1.942   8.808
  131   1HD2  LEU  17          HD21      LEU  17 -16.723   0.146  10.344
  132   2HD2  LEU  17          HD22      LEU  17 -15.727   0.673  11.699
  133   3HD2  LEU  17          HD23      LEU  17 -15.005  -0.248  10.380
  134    H    VAL  18           HN       VAL  18 -11.672   3.726   9.551
  135    HA   VAL  18           HA       VAL  18  -9.409   2.018   9.054
  136    HB   VAL  18           HB       VAL  18  -9.808   4.998   8.907
  137   1HG1  VAL  18          HG11      VAL  18  -7.808   3.571   7.213
  138   2HG1  VAL  18          HG12      VAL  18  -7.362   3.908   8.883
  139   3HG1  VAL  18          HG13      VAL  18  -7.791   5.231   7.803
  140   1HG2  VAL  18          HG21      VAL  18 -11.309   3.465   7.544
  141   2HG2  VAL  18          HG22      VAL  18  -9.855   2.942   6.694
  142   3HG2  VAL  18          HG23      VAL  18 -10.369   4.627   6.606
  143    H    CYS  19           HN       CYS  19 -10.001   4.571  11.469
  144    HA   CYS  19           HA       CYS  19  -7.329   4.583  12.543
  145   1HB   CYS  19           HB2      CYS  19 -10.038   5.495  13.403
  146   2HB   CYS  19           HB1      CYS  19  -8.690   5.609  14.531
  147    H    GLY  20           HN       GLY  20 -10.287   2.826  13.490
  148   1HA   GLY  20           HA2      GLY  20 -10.613   1.078  15.023
  149   2HA   GLY  20           HA1      GLY  20  -9.051   0.515  14.439
  150    H    GLU  21           HN       GLU  21  -9.786   3.460  16.316
  151    HA   GLU  21           HA       GLU  21  -8.397   2.320  18.664
  152   1HB   GLU  21           HB2      GLU  21  -6.735   3.379  17.106
  153   2HB   GLU  21           HB1      GLU  21  -7.593   4.908  17.307
  154   1HG   GLU  21           HG2      GLU  21  -5.721   4.868  18.856
  155   2HG   GLU  21           HG1      GLU  21  -7.217   4.729  19.779
  156    H    ARG  22           HN       ARG  22  -8.779   3.594  20.618
  157    HA   ARG  22           HA       ARG  22 -11.355   4.979  20.597
  158   1HB   ARG  22           HB2      ARG  22 -10.680   3.273  22.295
  159   2HB   ARG  22           HB1      ARG  22  -9.405   4.364  22.838
  160   1HG   ARG  22           HG2      ARG  22 -11.041   6.044  23.479
  161   2HG   ARG  22           HG1      ARG  22 -12.351   5.075  22.805
  162   1HD   ARG  22           HD2      ARG  22 -12.343   4.706  25.203
  163   2HD   ARG  22           HD1      ARG  22 -11.683   3.240  24.453
  164    HE   ARG  22           HE       ARG  22  -9.633   5.231  25.049
  165   1HH1  ARG  22          HH21      ARG  22  -9.145   2.296  25.146
  166   2HH1  ARG  22          HH22      ARG  22  -9.068   1.985  26.848
  167   1HH2  ARG  22          HH11      ARG  22 -10.571   4.982  27.733
  168   2HH2  ARG  22          HH12      ARG  22  -9.875   3.506  28.313
  169    H    GLY  23           HN       GLY  23 -10.133   6.677  19.170
  170   1HA   GLY  23           HA2      GLY  23  -9.980   9.142  20.420
  171   2HA   GLY  23           HA1      GLY  23  -8.336   8.513  20.538
  172    H    PHE  24           HN       PHE  24 -10.731   8.178  17.933
  173    HA   PHE  24           HA       PHE  24  -8.730   8.768  15.891
  174   1HB   PHE  24           HB2      PHE  24 -10.603   8.327  14.367
  175   2HB   PHE  24           HB1      PHE  24 -10.592   7.120  15.647
  176    HD1  PHE  24           HD1      PHE  24 -12.295  10.117  14.326
  177    HD2  PHE  24           HD2      PHE  24 -12.358   7.053  17.335
  178    HE1  PHE  24           HE1      PHE  24 -14.624  10.737  14.910
  179    HE2  PHE  24           HE2      PHE  24 -14.683   7.677  17.923
  180    HZ   PHE  24           HZ       PHE  24 -15.817   9.518  16.710
  181    H    PHE  25           HN       PHE  25  -8.880  10.592  14.382
  182    HA   PHE  25           HA       PHE  25 -10.666  12.821  14.993
  183   1HB   PHE  25           HB2      PHE  25  -8.730  14.346  15.519
  184   2HB   PHE  25           HB1      PHE  25  -8.992  13.095  16.730
  185    HD1  PHE  25           HD1      PHE  25  -7.451  11.217  16.963
  186    HD2  PHE  25           HD2      PHE  25  -6.801  14.256  14.008
  187    HE1  PHE  25           HE1      PHE  25  -5.133  10.398  16.637
  188    HE2  PHE  25           HE2      PHE  25  -4.481  13.445  13.681
  189    HZ   PHE  25           HZ       PHE  25  -3.647  11.514  14.996
  190    H    TYR  26           HN       TYR  26  -7.754  11.727  13.261
  191    HA   TYR  26           HA       TYR  26  -7.019  12.127  11.065
  192   1HB   TYR  26           HB2      TYR  26  -9.289  11.065  10.762
  193   2HB   TYR  26           HB1      TYR  26  -9.962  12.689  10.607
  194    HD1  TYR  26           HD1      TYR  26  -7.665  10.214   9.089
  195    HD2  TYR  26           HD2      TYR  26  -9.604  14.018   8.624
  196    HE1  TYR  26           HE1      TYR  26  -7.000  10.261   6.700
  197    HE2  TYR  26           HE2      TYR  26  -8.938  14.066   6.235
  198    HH   TYR  26           HH       TYR  26  -7.558  11.292   4.650
  199    H    THR  27           HN       THR  27  -6.007  14.147  11.988
  200    HA   THR  27           HA       THR  27  -6.976  16.507  10.488
  201    HB   THR  27           HB       THR  27  -6.715  17.904  12.523
  202    HG1  THR  27           HG1      THR  27  -5.484  17.007  13.960
  203   1HG2  THR  27          HG21      THR  27  -8.505  15.556  13.162
  204   2HG2  THR  27          HG22      THR  27  -8.902  16.736  11.913
  205   3HG2  THR  27          HG23      THR  27  -8.740  17.251  13.591
  206    HA   PRO  28           HA       PRO  28  -2.635  16.919   9.862
  207   1HB   PRO  28           HB2      PRO  28  -2.414  19.572   9.258
  208   2HB   PRO  28           HB1      PRO  28  -3.139  18.390   8.153
  209   1HG   PRO  28           HG2      PRO  28  -4.440  20.416   9.868
  210   2HG   PRO  28           HG1      PRO  28  -4.947  19.759   8.306
  211   1HD   PRO  28           HD2      PRO  28  -5.978  19.040  10.794
  212   2HD   PRO  28           HD1      PRO  28  -6.177  18.130   9.281
  213    H    LYS  29           HN       LYS  29  -0.889  18.927  10.432
  214    HA   LYS  29           HA       LYS  29  -0.448  18.726  13.255
  215   1HB   LYS  29           HB2      LYS  29   1.316  19.009  11.551
  216   2HB   LYS  29           HB1      LYS  29   0.688  20.610  11.161
  217   1HG   LYS  29           HG2      LYS  29   1.150  21.358  13.468
  218   2HG   LYS  29           HG1      LYS  29   1.781  19.759  13.861
  219   1HD   LYS  29           HD2      LYS  29   3.539  20.016  12.165
  220   2HD   LYS  29           HD1      LYS  29   2.898  21.600  11.725
  221   1HE   LYS  29           HE2      LYS  29   3.348  22.427  14.013
  222   2HE   LYS  29           HE1      LYS  29   4.002  20.837  14.454
  223   1HZ   LYS  29           HZ1      LYS  29   5.632  21.023  12.713
  224   2HZ   LYS  29           HZ2      LYS  29   5.740  22.396  13.707
  225   3HZ   LYS  29           HZ3      LYS  29   4.979  22.498  12.192
  226    H    THR  30           HN       THR  30  -1.855  21.237  11.198
  227    HA   THR  30           HA       THR  30  -3.102  23.162  11.710
  228    HB   THR  30           HB       THR  30  -3.398  21.726  14.368
  229    HG1  THR  30           HG1      THR  30  -4.721  20.456  13.365
  230   1HG2  THR  30          HG21      THR  30  -5.529  23.429  13.187
  231   2HG2  THR  30          HG22      THR  30  -4.132  24.260  13.870
  232   3HG2  THR  30          HG23      THR  30  -5.094  23.180  14.878
  233    H    ARG  31           HN       ARG  31  -1.149  24.477  11.638
  234    HA   ARG  31           HA       ARG  31   0.473  24.985  13.961
  235   1HB   ARG  31           HB2      ARG  31  -0.022  26.429  11.346
  236   2HB   ARG  31           HB1      ARG  31   1.191  26.956  12.513
  237   1HG   ARG  31           HG2      ARG  31   2.382  24.869  12.333
  238   2HG   ARG  31           HG1      ARG  31   1.091  24.153  11.368
  239   1HD   ARG  31           HD2      ARG  31   2.575  26.628  10.446
  240   2HD   ARG  31           HD1      ARG  31   3.132  24.989  10.050
  241    HE   ARG  31           HE       ARG  31   0.636  26.240   9.082
  242   1HH1  ARG  31          HH11      ARG  31   2.889  24.483   7.740
  243   2HH1  ARG  31          HH12      ARG  31   1.944  23.093   7.319
  244   1HH2  ARG  31          HH21      ARG  31  -0.741  23.984   9.324
  245   2HH2  ARG  31          HH22      ARG  31  -0.111  22.811   8.216
  246    H    ARG  32           HN       ARG  32  -2.354  26.639  12.530
  247    HA   ARG  32           HA       ARG  32  -2.799  27.954  15.127
  248   1HB   ARG  32           HB2      ARG  32  -3.356  30.083  13.611
  249   2HB   ARG  32           HB1      ARG  32  -1.742  29.786  14.240
  250   1HG   ARG  32           HG2      ARG  32  -0.944  29.011  12.161
  251   2HG   ARG  32           HG1      ARG  32  -2.567  28.724  11.543
  252   1HD   ARG  32           HD2      ARG  32  -3.008  31.141  11.478
  253   2HD   ARG  32           HD1      ARG  32  -1.411  31.463  12.183
  254    HE   ARG  32           HE       ARG  32  -0.401  30.509  10.139
  255   1HH1  ARG  32          HH21      ARG  32  -2.157  32.794   9.229
  256   2HH1  ARG  32          HH22      ARG  32  -3.015  32.071   7.910
  257   1HH2  ARG  32          HH11      ARG  32  -2.216  28.823   8.827
  258   2HH2  ARG  32          HH12      ARG  32  -3.048  29.821   7.682
  259    H    TYR  33           HN       TYR  33  -4.408  28.815  12.077
  260    HA   TYR  33           HA       TYR  33  -6.786  27.188  12.813
  261   1HB   TYR  33           HB2      TYR  33  -6.377  30.059  13.243
  262   2HB   TYR  33           HB1      TYR  33  -7.813  29.725  12.282
  263    HD1  TYR  33           HD1      TYR  33  -6.292  29.532  15.581
  264    HD2  TYR  33           HD2      TYR  33  -9.590  28.198  13.174
  265    HE1  TYR  33           HE1      TYR  33  -7.529  28.887  17.632
  266    HE2  TYR  33           HE2      TYR  33 -10.825  27.551  15.223
  267    HH   TYR  33           HH       TYR  33 -10.816  28.225  17.661
  268    HA   PRO  34           HA       PRO  34  -6.449  27.582   8.276
  269   1HB   PRO  34           HB2      PRO  34  -6.924  24.960   7.682
  270   2HB   PRO  34           HB1      PRO  34  -5.320  25.566   8.134
  271   1HG   PRO  34           HG2      PRO  34  -7.201  23.925   9.673
  272   2HG   PRO  34           HG1      PRO  34  -5.452  24.103   9.847
  273   1HD   PRO  34           HD2      PRO  34  -7.493  25.318  11.423
  274   2HD   PRO  34           HD1      PRO  34  -5.737  25.557  11.544
  275    H    GLY  35           HN       GLY  35  -8.670  28.629   9.267
  276   1HA   GLY  35           HA2      GLY  35 -11.018  26.955   8.583
  277   2HA   GLY  35           HA1      GLY  35 -11.071  28.524   9.385
  278    H    ASP  36           HN       ASP  36  -9.062  28.231   6.559
  279    HA   ASP  36           HA       ASP  36 -10.658  30.243   5.153
  280   1HB   ASP  36           HB2      ASP  36  -8.203  28.609   4.422
  281   2HB   ASP  36           HB1      ASP  36  -8.807  29.980   3.491
  282    H    VAL  37           HN       VAL  37 -12.481  29.611   4.069
  283    HA   VAL  37           HA       VAL  37 -13.946  28.374   2.710
  284    HB   VAL  37           HB       VAL  37 -11.219  27.609   1.617
  285   1HG1  VAL  37          HG11      VAL  37 -12.512  25.981   0.589
  286   2HG1  VAL  37          HG12      VAL  37 -12.777  27.323  -0.524
  287   3HG1  VAL  37          HG13      VAL  37 -13.991  26.938   0.697
  288   1HG2  VAL  37          HG21      VAL  37 -11.285  29.799   1.024
  289   2HG2  VAL  37          HG22      VAL  37 -12.998  29.943   1.415
  290   3HG2  VAL  37          HG23      VAL  37 -12.501  29.315  -0.156
  291    H    LYS  38           HN       LYS  38 -11.444  25.852   2.560
  292    HA   LYS  38           HA       LYS  38 -12.973  24.160   4.478
  293   1HB   LYS  38           HB2      LYS  38 -12.446  23.582   1.546
  294   2HB   LYS  38           HB1      LYS  38 -12.998  22.361   2.692
  295   1HG   LYS  38           HG2      LYS  38 -15.002  23.724   3.176
  296   2HG   LYS  38           HG1      LYS  38 -14.457  24.937   2.020
  297   1HD   LYS  38           HD2      LYS  38 -14.515  23.231   0.220
  298   2HD   LYS  38           HD1      LYS  38 -15.131  22.055   1.381
  299   1HE   LYS  38           HE2      LYS  38 -16.698  24.518   1.464
  300   2HE   LYS  38           HE1      LYS  38 -16.687  23.804  -0.158
  301   1HZ   LYS  38           HZ1      LYS  38 -17.505  21.798   0.618
  302   2HZ   LYS  38           HZ2      LYS  38 -18.372  22.919   1.553
  303   3HZ   LYS  38           HZ3      LYS  38 -17.048  22.094   2.225
  304    H    ARG  39           HN       ARG  39 -11.744  21.969   4.688
  305    HA   ARG  39           HA       ARG  39  -9.022  22.493   5.425
  306   1HB   ARG  39           HB2      ARG  39 -10.669  19.979   5.057
  307   2HB   ARG  39           HB1      ARG  39  -9.047  19.970   5.747
  308   1HG   ARG  39           HG2      ARG  39  -9.786  21.527   7.516
  309   2HG   ARG  39           HG1      ARG  39 -11.411  21.533   6.831
  310   1HD   ARG  39           HD2      ARG  39 -10.007  19.019   7.802
  311   2HD   ARG  39           HD1      ARG  39 -11.174  19.943   8.767
  312    HE   ARG  39           HE       ARG  39 -11.897  18.838   6.078
  313   1HH1  ARG  39          HH11      ARG  39 -12.299  17.213   8.660
  314   2HH1  ARG  39          HH12      ARG  39 -13.972  17.531   8.978
  315   1HH2  ARG  39          HH21      ARG  39 -14.148  20.225   6.802
  316   2HH2  ARG  39          HH22      ARG  39 -15.018  19.236   7.926
  317    H    GLY  40           HN       GLY  40 -10.522  20.853   2.660
  318   1HA   GLY  40           HA2      GLY  40  -9.471  21.042   0.438
  319   2HA   GLY  40           HA1      GLY  40  -7.900  21.011   1.240
  320    H    ILE  41           HN       ILE  41  -8.202  18.875   2.975
  321    HA   ILE  41           HA       ILE  41  -7.690  16.611   1.319
  322    HB   ILE  41           HB       ILE  41  -8.548  16.814   4.226
  323   1HG1  ILE  41          HG12      ILE  41  -5.769  16.558   3.043
  324   2HG1  ILE  41          HG11      ILE  41  -6.483  18.104   3.497
  325   1HG2  ILE  41          HG21      ILE  41  -6.932  14.604   2.943
  326   2HG2  ILE  41          HG22      ILE  41  -8.687  14.510   3.084
  327   3HG2  ILE  41          HG23      ILE  41  -7.691  14.614   4.535
  328   1HD1  ILE  41          HD11      ILE  41  -5.432  17.613   5.485
  329   2HD1  ILE  41          HD12      ILE  41  -5.540  15.871   5.231
  330   3HD1  ILE  41          HD13      ILE  41  -6.956  16.773   5.772
  331    H    VAL  42           HN       VAL  42 -10.599  17.411   3.244
  332    HA   VAL  42           HA       VAL  42 -12.180  15.177   2.454
  333    HB   VAL  42           HB       VAL  42 -12.847  17.988   3.309
  334   1HG1  VAL  42          HG11      VAL  42 -14.617  15.948   2.285
  335   2HG1  VAL  42          HG12      VAL  42 -15.012  17.577   2.829
  336   3HG1  VAL  42          HG13      VAL  42 -14.977  16.247   3.986
  337   1HG2  VAL  42          HG21      VAL  42 -12.945  15.384   4.846
  338   2HG2  VAL  42          HG22      VAL  42 -13.144  17.007   5.502
  339   3HG2  VAL  42          HG23      VAL  42 -11.575  16.493   4.882
  340    H    GLU  43           HN       GLU  43 -11.835  18.416   1.022
  341    HA   GLU  43           HA       GLU  43 -13.780  18.167  -1.042
  342   1HB   GLU  43           HB2      GLU  43 -11.169  19.690  -0.806
  343   2HB   GLU  43           HB1      GLU  43 -12.316  19.948  -2.122
  344   1HG   GLU  43           HG2      GLU  43 -12.988  20.218   0.824
  345   2HG   GLU  43           HG1      GLU  43 -12.627  21.569  -0.250
  346    H    GLN  44           HN       GLN  44 -10.337  17.271  -0.944
  347    HA   GLN  44           HA       GLN  44 -10.075  16.495  -3.695
  348   1HB   GLN  44           HB2      GLN  44  -8.626  15.812  -1.133
  349   2HB   GLN  44           HB1      GLN  44  -8.094  15.197  -2.699
  350   1HG   GLN  44           HG2      GLN  44  -8.568  18.141  -2.187
  351   2HG   GLN  44           HG1      GLN  44  -6.998  17.376  -1.937
  352   1HE2  GLN  44          HE21      GLN  44  -6.112  16.156  -3.924
  353   2HE2  GLN  44          HE22      GLN  44  -6.458  16.796  -5.457
  354    H    CYS  45           HN       CYS  45 -10.989  14.621  -0.780
  355    HA   CYS  45           HA       CYS  45 -11.120  12.090  -2.206
  356   1HB   CYS  45           HB2      CYS  45 -12.228  13.086   0.436
  357   2HB   CYS  45           HB1      CYS  45 -12.353  11.411  -0.088
  358    H    CYS  46           HN       CYS  46 -13.307  14.779  -1.727
  359    HA   CYS  46           HA       CYS  46 -15.766  13.384  -2.378
  360   1HB   CYS  46           HB2      CYS  46 -14.789  16.093  -1.848
  361   2HB   CYS  46           HB1      CYS  46 -16.007  16.073  -3.119
  362    H    THR  47           HN       THR  47 -13.335  15.181  -4.244
  363    HA   THR  47           HA       THR  47 -14.724  14.944  -6.794
  364    HB   THR  47           HB       THR  47 -12.486  15.761  -7.620
  365    HG1  THR  47           HG1      THR  47 -10.839  15.494  -6.373
  366   1HG2  THR  47          HG21      THR  47 -14.377  17.182  -6.489
  367   2HG2  THR  47          HG22      THR  47 -12.800  17.917  -6.781
  368   3HG2  THR  47          HG23      THR  47 -13.216  17.334  -5.170
  369    H    SER  48           HN       SER  48 -12.081  13.185  -5.177
  370    HA   SER  48           HA       SER  48 -12.443  10.954  -7.147
  371   1HB   SER  48           HB2      SER  48  -9.783  11.879  -6.040
  372   2HB   SER  48           HB1      SER  48 -10.071  10.808  -7.408
  373    HG   SER  48           HG       SER  48  -9.812  13.439  -7.411
  374    H    ILE  49           HN       ILE  49 -11.901   8.843  -6.230
  375    HA   ILE  49           HA       ILE  49 -12.490   8.621  -3.379
  376    HB   ILE  49           HB       ILE  49 -11.635   6.605  -5.487
  377   1HG1  ILE  49          HG12      ILE  49 -14.403   7.227  -4.415
  378   2HG1  ILE  49          HG11      ILE  49 -13.760   7.922  -5.903
  379   1HG2  ILE  49          HG21      ILE  49 -11.824   6.286  -2.683
  380   2HG2  ILE  49          HG22      ILE  49 -11.706   5.011  -3.893
  381   3HG2  ILE  49          HG23      ILE  49 -13.289   5.560  -3.344
  382   1HD1  ILE  49          HD11      ILE  49 -15.153   5.867  -6.283
  383   2HD1  ILE  49          HD12      ILE  49 -13.958   4.944  -5.372
  384   3HD1  ILE  49          HD13      ILE  49 -13.503   5.720  -6.889
  385    H    CYS  50           HN       CYS  50 -10.978   8.800  -1.805
  386    HA   CYS  50           HA       CYS  50  -8.119   8.845  -2.402
  387   1HB   CYS  50           HB2      CYS  50  -9.827   9.038   0.098
  388   2HB   CYS  50           HB1      CYS  50  -8.068   9.178   0.135
  389    H    SER  51           HN       SER  51  -6.564   7.295  -1.654
  390    HA   SER  51           HA       SER  51  -7.503   4.535  -1.668
  391   1HB   SER  51           HB2      SER  51  -5.165   4.049  -1.804
  392   2HB   SER  51           HB1      SER  51  -5.405   5.539  -2.709
  393    HG   SER  51           HG       SER  51  -4.842   6.628  -0.690
  394    H    LEU  52           HN       LEU  52  -7.311   3.008  -0.019
  395    HA   LEU  52           HA       LEU  52  -7.866   3.762   2.661
  396   1HB   LEU  52           HB2      LEU  52  -8.429   1.594   1.618
  397   2HB   LEU  52           HB1      LEU  52  -6.714   1.200   1.506
  398    HG   LEU  52           HG       LEU  52  -6.563   1.402   4.003
  399   1HD1  LEU  52          HD11      LEU  52  -8.820   1.251   5.191
  400   2HD1  LEU  52          HD12      LEU  52  -9.547   1.773   3.671
  401   3HD1  LEU  52          HD13      LEU  52  -8.411   2.827   4.514
  402   1HD2  LEU  52          HD21      LEU  52  -8.162  -0.681   4.365
  403   2HD2  LEU  52          HD22      LEU  52  -6.720  -0.828   3.361
  404   3HD2  LEU  52          HD23      LEU  52  -8.300  -0.607   2.609
  405    H    TYR  53           HN       TYR  53  -4.825   2.823   1.083
  406    HA   TYR  53           HA       TYR  53  -3.153   2.629   3.359
  407   1HB   TYR  53           HB2      TYR  53  -2.605   1.919   1.066
  408   2HB   TYR  53           HB1      TYR  53  -2.562   3.603   0.569
  409    HD1  TYR  53           HD1      TYR  53  -0.726   5.084   1.237
  410    HD2  TYR  53           HD2      TYR  53  -0.847   0.971   2.470
  411    HE1  TYR  53           HE1      TYR  53   1.652   5.221   1.928
  412    HE2  TYR  53           HE2      TYR  53   1.530   1.108   3.162
  413    HH   TYR  53           HH       TYR  53   3.605   2.916   2.251
  414    H    GLN  54           HN       GLN  54  -3.980   5.505   1.394
  415    HA   GLN  54           HA       GLN  54  -2.254   7.310   2.861
  416   1HB   GLN  54           HB2      GLN  54  -4.664   7.662   1.058
  417   2HB   GLN  54           HB1      GLN  54  -3.732   9.022   1.688
  418   1HG   GLN  54           HG2      GLN  54  -1.685   8.098   0.663
  419   2HG   GLN  54           HG1      GLN  54  -2.614   6.741   0.027
  420   1HE2  GLN  54          HE21      GLN  54  -2.437   7.242  -2.220
  421   2HE2  GLN  54          HE22      GLN  54  -3.073   8.659  -2.906
  422    H    LEU  55           HN       LEU  55  -5.711   6.434   3.146
  423    HA   LEU  55           HA       LEU  55  -6.452   8.331   5.148
  424   1HB   LEU  55           HB2      LEU  55  -7.369   5.518   4.498
  425   2HB   LEU  55           HB1      LEU  55  -8.201   6.558   5.654
  426    HG   LEU  55           HG       LEU  55  -7.636   7.374   2.794
  427   1HD1  LEU  55          HD11      LEU  55  -9.203   5.333   3.177
  428   2HD1  LEU  55          HD12      LEU  55  -9.794   6.660   2.177
  429   3HD1  LEU  55          HD13      LEU  55 -10.324   6.515   3.853
  430   1HD2  LEU  55          HD21      LEU  55  -9.770   8.817   3.611
  431   2HD2  LEU  55          HD22      LEU  55  -8.110   9.363   3.845
  432   3HD2  LEU  55          HD23      LEU  55  -8.974   8.578   5.166
  433    H    GLU  56           HN       GLU  56  -5.141   5.045   5.416
  434    HA   GLU  56           HA       GLU  56  -5.149   4.804   8.254
  435   1HB   GLU  56           HB2      GLU  56  -3.405   3.660   6.054
  436   2HB   GLU  56           HB1      GLU  56  -3.317   3.112   7.730
  437   1HG   GLU  56           HG2      GLU  56  -5.715   2.535   7.674
  438   2HG   GLU  56           HG1      GLU  56  -5.811   3.084   6.002
  439    H    ASN  57           HN       ASN  57  -2.710   6.150   6.036
  440    HA   ASN  57           HA       ASN  57  -0.629   6.581   7.953
  441   1HB   ASN  57           HB2      ASN  57  -0.509   6.656   5.428
  442   2HB   ASN  57           HB1      ASN  57  -1.298   8.232   5.497
  443   1HD2  ASN  57          HD21      ASN  57   1.289   8.090   4.409
  444   2HD2  ASN  57          HD22      ASN  57   2.398   8.810   5.474
  445    H    TYR  58           HN       TYR  58  -3.351   8.637   6.934
  446    HA   TYR  58           HA       TYR  58  -2.641  11.031   8.312
  447   1HB   TYR  58           HB2      TYR  58  -5.214   9.707   7.468
  448   2HB   TYR  58           HB1      TYR  58  -5.232  11.245   8.323
  449    HD1  TYR  58           HD1      TYR  58  -3.440  13.028   7.344
  450    HD2  TYR  58           HD2      TYR  58  -5.183   9.778   5.157
  451    HE1  TYR  58           HE1      TYR  58  -2.949  14.197   5.210
  452    HE2  TYR  58           HE2      TYR  58  -4.695  10.935   3.026
  453    HH   TYR  58           HH       TYR  58  -4.145  12.999   2.127
  454    H    CYS  59           HN       CYS  59  -4.383   8.134   9.405
  455    HA   CYS  59           HA       CYS  59  -4.843   9.253  12.094
  456   1HB   CYS  59           HB2      CYS  59  -6.401   7.759  10.728
  457   2HB   CYS  59           HB1      CYS  59  -5.275   6.441  11.054
  458    H    ASN  60           HN       ASN  60  -2.385   7.426  10.472
  459    HA   ASN  60           HA       ASN  60  -1.405   5.913  12.749
  460   1HB   ASN  60           HB2      ASN  60  -0.332   6.770  10.061
  461   2HB   ASN  60           HB1      ASN  60   0.689   5.896  11.202
  462   1HD2  ASN  60          HD21      ASN  60  -0.115   4.750   8.678
  463   2HD2  ASN  60          HD22      ASN  60  -1.130   3.429   9.002
  Start of MODEL   15
    1   1H    PHE   1           HT1      PHE   1 -19.754  -3.283  -5.465
    2   2H    PHE   1           HT2      PHE   1 -19.785  -3.228  -3.767
    3   3H    PHE   1           HT3      PHE   1 -18.655  -4.213  -4.568
    4    HA   PHE   1           HA       PHE   1 -17.715  -2.085  -3.665
    5   1HB   PHE   1           HB2      PHE   1 -16.926  -3.597  -5.608
    6   2HB   PHE   1           HB1      PHE   1 -17.594  -2.360  -6.673
    7    HD1  PHE   1           HD1      PHE   1 -15.402  -2.632  -3.635
    8    HD2  PHE   1           HD2      PHE   1 -16.192  -0.625  -7.350
    9    HE1  PHE   1           HE1      PHE   1 -13.353  -1.268  -3.335
   10    HE2  PHE   1           HE2      PHE   1 -14.143   0.739  -7.049
   11    HZ   PHE   1           HZ       PHE   1 -12.723   0.417  -5.041
   12    H    VAL   2           HN       VAL   2 -17.590   0.216  -4.012
   13    HA   VAL   2           HA       VAL   2 -19.837   1.409  -5.541
   14    HB   VAL   2           HB       VAL   2 -19.954   3.050  -3.657
   15   1HG1  VAL   2          HG11      VAL   2 -20.861   1.364  -1.964
   16   2HG1  VAL   2          HG12      VAL   2 -20.334   0.111  -3.087
   17   3HG1  VAL   2          HG13      VAL   2 -21.551   1.286  -3.585
   18   1HG2  VAL   2          HG21      VAL   2 -18.427   1.230  -1.879
   19   2HG2  VAL   2          HG22      VAL   2 -18.541   2.990  -1.856
   20   3HG2  VAL   2          HG23      VAL   2 -17.466   2.191  -3.003
   21    H    ASN   3           HN       ASN   3 -19.335   3.943  -5.617
   22    HA   ASN   3           HA       ASN   3 -16.452   4.542  -5.916
   23   1HB   ASN   3           HB2      ASN   3 -17.353   3.394  -8.015
   24   2HB   ASN   3           HB1      ASN   3 -18.390   4.804  -8.234
   25   1HD2  ASN   3          HD21      ASN   3 -17.386   5.842 -10.007
   26   2HD2  ASN   3          HD22      ASN   3 -15.761   6.333 -10.018
   27    H    GLN   4           HN       GLN   4 -16.980   6.098  -4.250
   28    HA   GLN   4           HA       GLN   4 -18.243   8.579  -5.306
   29   1HB   GLN   4           HB2      GLN   4 -19.003   7.222  -2.697
   30   2HB   GLN   4           HB1      GLN   4 -19.672   8.728  -3.307
   31   1HG   GLN   4           HG2      GLN   4 -20.563   7.503  -5.285
   32   2HG   GLN   4           HG1      GLN   4 -19.958   5.996  -4.595
   33   1HE2  GLN   4          HE21      GLN   4 -21.611   4.872  -3.580
   34   2HE2  GLN   4          HE22      GLN   4 -22.871   5.579  -2.689
   35    H    HIS   5           HN       HIS   5 -17.764  10.427  -3.814
   36    HA   HIS   5           HA       HIS   5 -15.009  10.332  -2.846
   37   1HB   HIS   5           HB2      HIS   5 -17.224  12.406  -2.801
   38   2HB   HIS   5           HB1      HIS   5 -15.576  12.729  -2.268
   39    HD1  HIS   5           HD1      HIS   5 -13.744  11.786  -4.272
   40    HD2  HIS   5           HD2      HIS   5 -17.506  13.160  -5.428
   41    HE1  HIS   5           HE1      HIS   5 -13.563  12.394  -6.724
   42    H    LEU   6           HN       LEU   6 -14.348  10.203  -0.689
   43    HA   LEU   6           HA       LEU   6 -16.293   9.329   1.298
   44   1HB   LEU   6           HB2      LEU   6 -13.315   9.772   1.152
   45   2HB   LEU   6           HB1      LEU   6 -14.089   9.410   2.696
   46    HG   LEU   6           HG       LEU   6 -14.532   7.702   0.243
   47   1HD1  LEU   6          HD11      LEU   6 -12.427   7.423   2.409
   48   2HD1  LEU   6          HD12      LEU   6 -12.136   7.679   0.688
   49   3HD1  LEU   6          HD13      LEU   6 -12.836   6.160   1.248
   50   1HD2  LEU   6          HD21      LEU   6 -15.687   6.316   1.655
   51   2HD2  LEU   6          HD22      LEU   6 -15.878   7.787   2.609
   52   3HD2  LEU   6          HD23      LEU   6 -14.607   6.633   3.012
   53    H    CYS   7           HN       CYS   7 -17.619  11.009   1.971
   54    HA   CYS   7           HA       CYS   7 -16.336  13.261   3.423
   55   1HB   CYS   7           HB2      CYS   7 -18.001  13.392   0.921
   56   2HB   CYS   7           HB1      CYS   7 -18.085  14.716   2.081
   57    H    GLY   8           HN       GLY   8 -18.347  14.701   4.251
   58   1HA   GLY   8           HA2      GLY   8 -20.150  14.778   5.739
   59   2HA   GLY   8           HA1      GLY   8 -20.925  13.666   4.610
   60    H    SER   9           HN       SER   9 -21.873  12.247   6.105
   61    HA   SER   9           HA       SER   9 -20.527  11.293   8.493
   62   1HB   SER   9           HB2      SER   9 -22.967  10.397   6.936
   63   2HB   SER   9           HB1      SER   9 -22.511   9.722   8.497
   64    HG   SER   9           HG       SER   9 -23.742  11.353   9.120
   65    H    HIS  10           HN       HIS  10 -20.755  10.148   5.179
   66    HA   HIS  10           HA       HIS  10 -20.015   7.418   5.544
   67   1HB   HIS  10           HB2      HIS  10 -20.902   8.590   3.480
   68   2HB   HIS  10           HB1      HIS  10 -19.284   9.253   3.244
   69    HD1  HIS  10           HD1      HIS  10 -20.658   5.764   4.006
   70    HD2  HIS  10           HD2      HIS  10 -17.893   7.631   1.507
   71    HE1  HIS  10           HE1      HIS  10 -19.623   3.936   2.592
   72    H    LEU  11           HN       LEU  11 -18.022  10.350   5.214
   73    HA   LEU  11           HA       LEU  11 -15.464   9.113   4.955
   74   1HB   LEU  11           HB2      LEU  11 -15.961  11.509   4.599
   75   2HB   LEU  11           HB1      LEU  11 -16.295  11.700   6.319
   76    HG   LEU  11           HG       LEU  11 -13.950  10.961   6.805
   77   1HD1  LEU  11          HD11      LEU  11 -13.779  11.044   3.785
   78   2HD1  LEU  11          HD12      LEU  11 -13.432   9.677   4.841
   79   3HD1  LEU  11          HD13      LEU  11 -12.361  11.078   4.831
   80   1HD2  LEU  11          HD21      LEU  11 -12.975  13.104   5.451
   81   2HD2  LEU  11          HD22      LEU  11 -13.953  13.250   6.911
   82   3HD2  LEU  11          HD23      LEU  11 -14.705  13.425   5.325
   83    H    VAL  12           HN       VAL  12 -17.326  10.001   7.868
   84    HA   VAL  12           HA       VAL  12 -15.320   9.322   9.803
   85    HB   VAL  12           HB       VAL  12 -18.358   9.351   9.884
   86   1HG1  VAL  12          HG11      VAL  12 -16.481   9.553  12.251
   87   2HG1  VAL  12          HG12      VAL  12 -17.222   8.031  11.758
   88   3HG1  VAL  12          HG13      VAL  12 -18.235   9.378  12.273
   89   1HG2  VAL  12          HG21      VAL  12 -17.877  11.568  11.049
   90   2HG2  VAL  12          HG22      VAL  12 -17.508  11.517   9.325
   91   3HG2  VAL  12          HG23      VAL  12 -16.208  11.386  10.510
   92    H    GLU  13           HN       GLU  13 -17.975   7.423   8.372
   93    HA   GLU  13           HA       GLU  13 -17.644   5.039   9.870
   94   1HB   GLU  13           HB2      GLU  13 -18.597   5.618   7.057
   95   2HB   GLU  13           HB1      GLU  13 -18.758   4.032   7.814
   96   1HG   GLU  13           HG2      GLU  13 -20.104   4.969   9.610
   97   2HG   GLU  13           HG1      GLU  13 -19.847   6.601   8.999
   98    H    ALA  14           HN       ALA  14 -16.208   5.964   6.740
   99    HA   ALA  14           HA       ALA  14 -14.743   3.572   6.273
  100   1HB   ALA  14           HB1      ALA  14 -15.286   5.798   4.890
  101   2HB   ALA  14           HB2      ALA  14 -13.921   4.762   4.470
  102   3HB   ALA  14           HB3      ALA  14 -13.660   6.221   5.426
  103    H    LEU  15           HN       LEU  15 -13.614   6.673   7.669
  104    HA   LEU  15           HA       LEU  15 -10.946   5.866   8.246
  105   1HB   LEU  15           HB2      LEU  15 -12.841   7.853   9.534
  106   2HB   LEU  15           HB1      LEU  15 -11.119   7.778   9.907
  107    HG   LEU  15           HG       LEU  15 -12.195   8.111   7.097
  108   1HD1  LEU  15          HD11      LEU  15 -12.751  10.005   8.740
  109   2HD1  LEU  15          HD12      LEU  15 -11.858  10.458   7.288
  110   3HD1  LEU  15          HD13      LEU  15 -11.013  10.289   8.827
  111   1HD2  LEU  15          HD21      LEU  15  -9.492   8.105   8.403
  112   2HD2  LEU  15          HD22      LEU  15  -9.749   9.104   6.973
  113   3HD2  LEU  15          HD23      LEU  15 -10.000   7.361   6.887
  114    H    TYR  16           HN       TYR  16 -13.846   5.810  10.320
  115    HA   TYR  16           HA       TYR  16 -12.642   4.784  12.686
  116   1HB   TYR  16           HB2      TYR  16 -14.900   5.791  12.446
  117   2HB   TYR  16           HB1      TYR  16 -15.428   4.363  11.557
  118    HD1  TYR  16           HD1      TYR  16 -15.832   2.248  12.689
  119    HD2  TYR  16           HD2      TYR  16 -14.371   5.668  14.838
  120    HE1  TYR  16           HE1      TYR  16 -16.344   1.118  14.838
  121    HE2  TYR  16           HE2      TYR  16 -14.881   4.539  16.984
  122    HH   TYR  16           HH       TYR  16 -16.265   2.791  17.857
  123    H    LEU  17           HN       LEU  17 -14.318   3.006  10.069
  124    HA   LEU  17           HA       LEU  17 -13.869   0.392  11.123
  125   1HB   LEU  17           HB2      LEU  17 -14.439   1.487   8.389
  126   2HB   LEU  17           HB1      LEU  17 -14.421  -0.239   8.729
  127    HG   LEU  17           HG       LEU  17 -16.125   1.738  10.264
  128   1HD1  LEU  17          HD11      LEU  17 -17.634   1.734   8.590
  129   2HD1  LEU  17          HD12      LEU  17 -17.634  -0.028   8.545
  130   3HD1  LEU  17          HD13      LEU  17 -16.473   0.878   7.576
  131   1HD2  LEU  17          HD21      LEU  17 -16.005  -1.284  10.056
  132   2HD2  LEU  17          HD22      LEU  17 -17.349  -0.425  10.808
  133   3HD2  LEU  17          HD23      LEU  17 -15.728  -0.296  11.491
  134    H    VAL  18           HN       VAL  18 -12.024   2.321   8.767
  135    HA   VAL  18           HA       VAL  18 -10.167   0.242   8.052
  136    HB   VAL  18           HB       VAL  18 -10.079   3.247   7.915
  137   1HG1  VAL  18          HG11      VAL  18  -8.112   3.198   6.761
  138   2HG1  VAL  18          HG12      VAL  18  -8.501   1.669   5.974
  139   3HG1  VAL  18          HG13      VAL  18  -7.865   1.677   7.615
  140   1HG2  VAL  18          HG21      VAL  18 -11.775   1.534   6.643
  141   2HG2  VAL  18          HG22      VAL  18 -10.443   1.601   5.489
  142   3HG2  VAL  18          HG23      VAL  18 -11.263   3.084   5.976
  143    H    CYS  19           HN       CYS  19  -9.974   2.887  10.439
  144    HA   CYS  19           HA       CYS  19  -7.259   2.295  11.237
  145   1HB   CYS  19           HB2      CYS  19  -9.542   3.878  12.356
  146   2HB   CYS  19           HB1      CYS  19  -8.004   3.774  13.208
  147    H    GLY  20           HN       GLY  20 -10.426   1.197  12.351
  148   1HA   GLY  20           HA2      GLY  20 -10.918  -0.724  13.632
  149   2HA   GLY  20           HA1      GLY  20  -9.187  -1.000  13.804
  150    H    GLU  21           HN       GLU  21  -8.101  -0.118  15.590
  151    HA   GLU  21           HA       GLU  21  -9.578   0.363  17.977
  152   1HB   GLU  21           HB2      GLU  21  -6.732   0.956  17.115
  153   2HB   GLU  21           HB1      GLU  21  -7.290   1.150  18.778
  154   1HG   GLU  21           HG2      GLU  21  -7.967  -1.224  18.832
  155   2HG   GLU  21           HG1      GLU  21  -7.408  -1.421  17.172
  156    H    ARG  22           HN       ARG  22 -10.234   2.318  18.958
  157    HA   ARG  22           HA       ARG  22 -10.592   4.615  17.253
  158   1HB   ARG  22           HB2      ARG  22 -12.149   3.808  19.053
  159   2HB   ARG  22           HB1      ARG  22 -10.967   4.350  20.248
  160   1HG   ARG  22           HG2      ARG  22 -11.140   6.640  19.467
  161   2HG   ARG  22           HG1      ARG  22 -12.176   6.148  18.128
  162   1HD   ARG  22           HD2      ARG  22 -13.609   7.050  19.861
  163   2HD   ARG  22           HD1      ARG  22 -13.826   5.287  19.873
  164    HE   ARG  22           HE       ARG  22 -12.273   5.186  21.799
  165   1HH1  ARG  22          HH21      ARG  22 -11.925   8.293  20.712
  166   2HH1  ARG  22          HH22      ARG  22 -12.204   9.070  22.235
  167   1HH2  ARG  22          HH11      ARG  22 -13.270   6.173  23.817
  168   2HH2  ARG  22          HH12      ARG  22 -12.966   7.869  23.993
  169    H    GLY  23           HN       GLY  23  -8.006   4.518  17.036
  170   1HA   GLY  23           HA2      GLY  23  -6.833   6.363  19.073
  171   2HA   GLY  23           HA1      GLY  23  -5.882   5.262  18.073
  172    H    PHE  24           HN       PHE  24  -8.551   6.953  16.618
  173    HA   PHE  24           HA       PHE  24  -6.811   8.237  14.663
  174   1HB   PHE  24           HB2      PHE  24  -9.012   7.303  14.115
  175   2HB   PHE  24           HB1      PHE  24  -9.785   8.382  15.273
  176    HD1  PHE  24           HD1      PHE  24  -8.206   8.127  11.960
  177    HD2  PHE  24           HD2      PHE  24  -9.972  10.781  14.836
  178    HE1  PHE  24           HE1      PHE  24  -8.394   9.886  10.223
  179    HE2  PHE  24           HE2      PHE  24 -10.164  12.538  13.103
  180    HZ   PHE  24           HZ       PHE  24  -9.374  12.094  10.793
  181    H    PHE  25           HN       PHE  25  -6.509  10.517  14.409
  182    HA   PHE  25           HA       PHE  25  -7.665  12.392  16.305
  183   1HB   PHE  25           HB2      PHE  25  -5.483  13.010  17.311
  184   2HB   PHE  25           HB1      PHE  25  -5.908  11.335  17.648
  185    HD1  PHE  25           HD1      PHE  25  -4.945   9.521  16.089
  186    HD2  PHE  25           HD2      PHE  25  -3.447  13.540  16.258
  187    HE1  PHE  25           HE1      PHE  25  -2.815   8.767  15.068
  188    HE2  PHE  25           HE2      PHE  25  -1.318  12.790  15.229
  189    HZ   PHE  25           HZ       PHE  25  -1.002  10.402  14.636
  190    H    TYR  26           HN       TYR  26  -5.043  11.905  13.898
  191    HA   TYR  26           HA       TYR  26  -4.211  13.376  12.226
  192   1HB   TYR  26           HB2      TYR  26  -6.770  12.629  11.822
  193   2HB   TYR  26           HB1      TYR  26  -6.996  14.376  11.883
  194    HD1  TYR  26           HD1      TYR  26  -4.967  15.688  10.565
  195    HD2  TYR  26           HD2      TYR  26  -6.436  11.745   9.701
  196    HE1  TYR  26           HE1      TYR  26  -4.115  15.880   8.246
  197    HE2  TYR  26           HE2      TYR  26  -5.582  11.938   7.380
  198    HH   TYR  26           HH       TYR  26  -5.074  14.119   5.785
  199    H    THR  27           HN       THR  27  -3.732  14.615  14.625
  200    HA   THR  27           HA       THR  27  -4.996  17.215  14.832
  201    HB   THR  27           HB       THR  27  -3.108  17.478  16.549
  202    HG1  THR  27           HG1      THR  27  -1.770  15.921  15.422
  203   1HG2  THR  27          HG21      THR  27  -5.357  15.579  16.512
  204   2HG2  THR  27          HG22      THR  27  -4.914  16.778  17.728
  205   3HG2  THR  27          HG23      THR  27  -4.123  15.203  17.715
  206    HA   PRO  28           HA       PRO  28  -2.100  18.917  11.822
  207   1HB   PRO  28           HB2      PRO  28  -3.225  21.396  11.632
  208   2HB   PRO  28           HB1      PRO  28  -3.896  19.976  10.808
  209   1HG   PRO  28           HG2      PRO  28  -4.814  21.340  13.273
  210   2HG   PRO  28           HG1      PRO  28  -5.752  20.529  12.013
  211   1HD   PRO  28           HD2      PRO  28  -5.145  19.451  14.486
  212   2HD   PRO  28           HD1      PRO  28  -5.621  18.518  13.052
  213    H    LYS  29           HN       LYS  29  -0.366  20.484  11.986
  214    HA   LYS  29           HA       LYS  29   0.506  21.095  14.658
  215   1HB   LYS  29           HB2      LYS  29   1.417  21.900  11.885
  216   2HB   LYS  29           HB1      LYS  29   2.303  22.342  13.347
  217   1HG   LYS  29           HG2      LYS  29   2.367  19.893  13.953
  218   2HG   LYS  29           HG1      LYS  29   1.689  19.542  12.364
  219   1HD   LYS  29           HD2      LYS  29   4.145  21.258  12.565
  220   2HD   LYS  29           HD1      LYS  29   4.298  19.506  12.702
  221   1HE   LYS  29           HE2      LYS  29   4.422  19.602  10.410
  222   2HE   LYS  29           HE1      LYS  29   2.656  19.713  10.515
  223   1HZ   LYS  29           HZ1      LYS  29   4.629  21.889  10.207
  224   2HZ   LYS  29           HZ2      LYS  29   3.105  22.211  10.888
  225   3HZ   LYS  29           HZ3      LYS  29   3.222  21.597   9.309
  226    H    THR  30           HN       THR  30  -1.035  22.979  12.083
  227    HA   THR  30           HA       THR  30  -1.952  24.966  14.018
  228    HB   THR  30           HB       THR  30  -0.195  25.861  11.720
  229    HG1  THR  30           HG1      THR  30   0.500  25.438  14.435
  230   1HG2  THR  30          HG21      THR  30  -0.614  27.955  12.450
  231   2HG2  THR  30          HG22      THR  30  -0.368  27.500  14.135
  232   3HG2  THR  30          HG23      THR  30  -1.939  27.249  13.375
  233    H    ARG  31           HN       ARG  31  -1.371  24.847  10.488
  234    HA   ARG  31           HA       ARG  31  -2.843  25.210   8.673
  235   1HB   ARG  31           HB2      ARG  31  -4.574  23.644  10.612
  236   2HB   ARG  31           HB1      ARG  31  -4.867  23.786   8.879
  237   1HG   ARG  31           HG2      ARG  31  -2.294  22.688  10.042
  238   2HG   ARG  31           HG1      ARG  31  -3.657  21.671   9.578
  239   1HD   ARG  31           HD2      ARG  31  -3.485  22.354   7.267
  240   2HD   ARG  31           HD1      ARG  31  -2.295  23.607   7.672
  241    HE   ARG  31           HE       ARG  31  -1.795  20.673   7.754
  242   1HH1  ARG  31          HH11      ARG  31  -0.694  23.521   9.194
  243   2HH1  ARG  31          HH12      ARG  31   0.965  23.303   8.752
  244   1HH2  ARG  31          HH21      ARG  31   0.344  20.561   6.727
  245   2HH2  ARG  31          HH22      ARG  31   1.552  21.631   7.359
  246    H    ARG  32           HN       ARG  32  -5.502  25.702   8.416
  247    HA   ARG  32           HA       ARG  32  -5.835  28.308   9.781
  248   1HB   ARG  32           HB2      ARG  32  -7.095  27.038   7.336
  249   2HB   ARG  32           HB1      ARG  32  -7.483  28.658   7.917
  250   1HG   ARG  32           HG2      ARG  32  -5.096  29.297   7.671
  251   2HG   ARG  32           HG1      ARG  32  -4.748  27.690   7.031
  252   1HD   ARG  32           HD2      ARG  32  -6.685  29.684   5.795
  253   2HD   ARG  32           HD1      ARG  32  -5.070  29.296   5.177
  254    HE   ARG  32           HE       ARG  32  -6.118  26.818   5.297
  255   1HH1  ARG  32          HH11      ARG  32  -8.464  29.165   5.148
  256   2HH1  ARG  32          HH12      ARG  32  -9.101  28.704   3.606
  257   1HH2  ARG  32          HH21      ARG  32  -6.545  26.470   2.911
  258   2HH2  ARG  32          HH22      ARG  32  -8.021  27.179   2.344
  259    H    TYR  33           HN       TYR  33  -7.853  28.837  10.801
  260    HA   TYR  33           HA       TYR  33  -9.824  26.633  11.172
  261   1HB   TYR  33           HB2      TYR  33  -7.798  27.409  13.024
  262   2HB   TYR  33           HB1      TYR  33  -9.331  27.969  13.674
  263    HD1  TYR  33           HD1      TYR  33  -7.889  24.928  12.007
  264    HD2  TYR  33           HD2      TYR  33 -10.594  26.492  14.953
  265    HE1  TYR  33           HE1      TYR  33  -8.442  22.621  12.720
  266    HE2  TYR  33           HE2      TYR  33 -11.146  24.182  15.669
  267    HH   TYR  33           HH       TYR  33 -10.336  21.453  13.853
  268    HA   PRO  34           HA       PRO  34 -11.607  30.952  10.674
  269   1HB   PRO  34           HB2      PRO  34 -13.166  30.407   8.491
  270   2HB   PRO  34           HB1      PRO  34 -11.484  30.959   8.358
  271   1HG   PRO  34           HG2      PRO  34 -12.594  28.204   8.133
  272   2HG   PRO  34           HG1      PRO  34 -11.325  28.989   7.179
  273   1HD   PRO  34           HD2      PRO  34 -10.797  27.229   9.175
  274   2HD   PRO  34           HD1      PRO  34  -9.699  28.554   8.739
  275    H    GLY  35           HN       GLY  35 -14.285  31.072   9.998
  276   1HA   GLY  35           HA2      GLY  35 -15.517  29.457  12.148
  277   2HA   GLY  35           HA1      GLY  35 -16.253  30.846  11.353
  278    H    ASP  36           HN       ASP  36 -15.181  29.257   8.750
  279    HA   ASP  36           HA       ASP  36 -17.789  27.982   8.268
  280   1HB   ASP  36           HB2      ASP  36 -15.318  28.553   6.621
  281   2HB   ASP  36           HB1      ASP  36 -16.723  27.714   5.963
  282    H    VAL  37           HN       VAL  37 -16.226  26.584  10.226
  283    HA   VAL  37           HA       VAL  37 -15.213  24.502  10.714
  284    HB   VAL  37           HB       VAL  37 -17.637  24.174  10.529
  285   1HG1  VAL  37          HG11      VAL  37 -18.474  23.052   8.387
  286   2HG1  VAL  37          HG12      VAL  37 -17.000  23.635   7.623
  287   3HG1  VAL  37          HG13      VAL  37 -18.156  24.781   8.292
  288   1HG2  VAL  37          HG21      VAL  37 -16.895  21.651   9.289
  289   2HG2  VAL  37          HG22      VAL  37 -17.311  21.990  10.968
  290   3HG2  VAL  37          HG23      VAL  37 -15.649  22.187  10.417
  291    H    LYS  38           HN       LYS  38 -13.360  25.413   9.114
  292    HA   LYS  38           HA       LYS  38 -13.009  23.942   6.610
  293   1HB   LYS  38           HB2      LYS  38 -12.114  26.214   7.095
  294   2HB   LYS  38           HB1      LYS  38 -11.104  25.523   8.362
  295   1HG   LYS  38           HG2      LYS  38  -9.680  25.715   6.469
  296   2HG   LYS  38           HG1      LYS  38 -10.116  24.009   6.555
  297   1HD   LYS  38           HD2      LYS  38 -11.766  24.264   4.818
  298   2HD   LYS  38           HD1      LYS  38 -11.598  26.020   4.846
  299   1HE   LYS  38           HE2      LYS  38  -9.111  25.614   4.254
  300   2HE   LYS  38           HE1      LYS  38  -9.625  23.972   3.821
  301   1HZ   LYS  38           HZ1      LYS  38 -11.349  24.926   2.412
  302   2HZ   LYS  38           HZ2      LYS  38  -9.812  25.455   1.919
  303   3HZ   LYS  38           HZ3      LYS  38 -10.828  26.492   2.801
  304    H    ARG  39           HN       ARG  39 -13.246  21.698   7.516
  305    HA   ARG  39           HA       ARG  39 -11.414  20.657   9.479
  306   1HB   ARG  39           HB2      ARG  39 -13.163  19.427   7.331
  307   2HB   ARG  39           HB1      ARG  39 -12.266  18.463   8.504
  308   1HG   ARG  39           HG2      ARG  39 -13.434  19.612  10.348
  309   2HG   ARG  39           HG1      ARG  39 -14.335  20.575   9.176
  310   1HD   ARG  39           HD2      ARG  39 -15.279  18.470   8.212
  311   2HD   ARG  39           HD1      ARG  39 -14.449  17.553   9.485
  312    HE   ARG  39           HE       ARG  39 -16.350  19.756  10.181
  313   1HH1  ARG  39          HH11      ARG  39 -14.574  17.543  11.756
  314   2HH1  ARG  39          HH12      ARG  39 -15.882  16.660  12.468
  315   1HH2  ARG  39          HH21      ARG  39 -18.317  18.182  10.524
  316   2HH2  ARG  39          HH22      ARG  39 -18.002  17.022  11.771
  317    H    GLY  40           HN       GLY  40 -11.495  20.746   5.945
  318   1HA   GLY  40           HA2      GLY  40  -9.593  20.819   4.502
  319   2HA   GLY  40           HA1      GLY  40  -8.573  20.335   5.858
  320    H    ILE  41           HN       ILE  41  -9.798  18.037   6.740
  321    HA   ILE  41           HA       ILE  41  -8.884  16.049   4.901
  322    HB   ILE  41           HB       ILE  41 -10.792  15.888   7.261
  323   1HG1  ILE  41          HG12      ILE  41  -7.809  15.355   7.149
  324   2HG1  ILE  41          HG11      ILE  41  -8.494  16.898   7.657
  325   1HG2  ILE  41          HG21      ILE  41 -10.628  13.595   7.205
  326   2HG2  ILE  41          HG22      ILE  41  -9.013  13.622   6.501
  327   3HG2  ILE  41          HG23      ILE  41 -10.423  13.891   5.480
  328   1HD1  ILE  41          HD11      ILE  41  -8.462  15.953   9.730
  329   2HD1  ILE  41          HD12      ILE  41  -8.410  14.312   9.087
  330   3HD1  ILE  41          HD13      ILE  41  -9.948  15.170   9.190
  331    H    VAL  42           HN       VAL  42 -12.207  17.073   5.742
  332    HA   VAL  42           HA       VAL  42 -13.588  15.313   3.982
  333    HB   VAL  42           HB       VAL  42 -14.205  18.028   5.126
  334   1HG1  VAL  42          HG11      VAL  42 -16.656  16.911   4.633
  335   2HG1  VAL  42          HG12      VAL  42 -15.747  16.388   3.215
  336   3HG1  VAL  42          HG13      VAL  42 -15.887  18.105   3.587
  337   1HG2  VAL  42          HG21      VAL  42 -13.866  15.985   6.615
  338   2HG2  VAL  42          HG22      VAL  42 -15.319  15.320   5.868
  339   3HG2  VAL  42          HG23      VAL  42 -15.411  16.816   6.798
  340    H    GLU  43           HN       GLU  43 -12.564  18.698   3.459
  341    HA   GLU  43           HA       GLU  43 -13.485  18.977   0.786
  342   1HB   GLU  43           HB2      GLU  43 -11.173  20.182   2.330
  343   2HB   GLU  43           HB1      GLU  43 -11.670  20.761   0.740
  344   1HG   GLU  43           HG2      GLU  43 -13.910  21.264   1.585
  345   2HG   GLU  43           HG1      GLU  43 -13.486  20.606   3.163
  346    H    GLN  44           HN       GLN  44 -10.386  17.771   2.047
  347    HA   GLN  44           HA       GLN  44  -8.961  17.553  -0.400
  348   1HB   GLN  44           HB2      GLN  44  -7.998  17.385   1.860
  349   2HB   GLN  44           HB1      GLN  44  -8.851  15.865   2.121
  350   1HG   GLN  44           HG2      GLN  44  -7.602  14.817   0.290
  351   2HG   GLN  44           HG1      GLN  44  -6.787  16.343  -0.051
  352   1HE2  GLN  44          HE21      GLN  44  -5.140  14.202   0.555
  353   2HE2  GLN  44          HE22      GLN  44  -4.494  14.368   2.116
  354    H    CYS  45           HN       CYS  45 -11.015  15.079   1.221
  355    HA   CYS  45           HA       CYS  45 -10.616  13.198  -1.008
  356   1HB   CYS  45           HB2      CYS  45 -12.208  13.182   1.564
  357   2HB   CYS  45           HB1      CYS  45 -12.214  11.829   0.436
  358    H    CYS  46           HN       CYS  46 -12.898  15.701  -0.293
  359    HA   CYS  46           HA       CYS  46 -15.234  14.552  -1.536
  360   1HB   CYS  46           HB2      CYS  46 -14.299  17.110  -0.452
  361   2HB   CYS  46           HB1      CYS  46 -15.414  17.309  -1.800
  362    H    THR  47           HN       THR  47 -12.672  16.701  -2.843
  363    HA   THR  47           HA       THR  47 -13.874  16.833  -5.495
  364    HB   THR  47           HB       THR  47 -11.590  17.832  -6.009
  365    HG1  THR  47           HG1      THR  47 -10.237  16.944  -4.604
  366   1HG2  THR  47          HG21      THR  47 -13.705  18.813  -4.343
  367   2HG2  THR  47          HG22      THR  47 -12.627  19.726  -5.398
  368   3HG2  THR  47          HG23      THR  47 -12.172  19.425  -3.722
  369    H    SER  48           HN       SER  48 -11.290  14.912  -3.997
  370    HA   SER  48           HA       SER  48 -11.262  13.175  -6.446
  371   1HB   SER  48           HB2      SER  48  -8.991  14.000  -4.609
  372   2HB   SER  48           HB1      SER  48  -8.837  12.899  -5.975
  373    HG   SER  48           HG       SER  48  -8.390  14.765  -6.917
  374    H    ILE  49           HN       ILE  49 -11.281  10.955  -6.036
  375    HA   ILE  49           HA       ILE  49 -12.252  10.022  -3.480
  376    HB   ILE  49           HB       ILE  49 -11.064   8.579  -5.879
  377   1HG1  ILE  49          HG12      ILE  49 -13.974   9.047  -5.172
  378   2HG1  ILE  49          HG11      ILE  49 -13.069  10.090  -6.270
  379   1HG2  ILE  49          HG21      ILE  49 -12.153   7.631  -3.316
  380   2HG2  ILE  49          HG22      ILE  49 -11.197   6.768  -4.520
  381   3HG2  ILE  49          HG23      ILE  49 -12.943   6.910  -4.718
  382   1HD1  ILE  49          HD11      ILE  49 -13.765   7.170  -6.617
  383   2HD1  ILE  49          HD12      ILE  49 -12.481   7.935  -7.553
  384   3HD1  ILE  49          HD13      ILE  49 -14.140   8.518  -7.690
  385    H    CYS  50           HN       CYS  50 -11.055   9.451  -1.704
  386    HA   CYS  50           HA       CYS  50  -8.110   9.518  -1.861
  387   1HB   CYS  50           HB2      CYS  50 -10.212   9.326   0.307
  388   2HB   CYS  50           HB1      CYS  50  -8.497   9.130   0.678
  389    H    SER  51           HN       SER  51  -6.974   7.684  -2.258
  390    HA   SER  51           HA       SER  51  -8.268   5.073  -2.342
  391   1HB   SER  51           HB2      SER  51  -6.103   4.389  -3.220
  392   2HB   SER  51           HB1      SER  51  -6.533   5.944  -3.923
  393    HG   SER  51           HG       SER  51  -5.128   6.943  -2.543
  394    H    LEU  52           HN       LEU  52  -7.418   3.185  -1.208
  395    HA   LEU  52           HA       LEU  52  -7.344   3.399   1.602
  396   1HB   LEU  52           HB2      LEU  52  -7.915   1.374   0.329
  397   2HB   LEU  52           HB1      LEU  52  -6.254   1.255  -0.250
  398    HG   LEU  52           HG       LEU  52  -5.478   1.017   2.103
  399   1HD1  LEU  52          HD11      LEU  52  -7.158   0.590   3.864
  400   2HD1  LEU  52          HD12      LEU  52  -8.449   0.931   2.713
  401   3HD1  LEU  52          HD13      LEU  52  -7.336   2.211   3.195
  402   1HD2  LEU  52          HD21      LEU  52  -6.262  -0.924   0.548
  403   2HD2  LEU  52          HD22      LEU  52  -7.645  -1.023   1.637
  404   3HD2  LEU  52          HD23      LEU  52  -6.013  -1.266   2.260
  405    H    TYR  53           HN       TYR  53  -4.659   3.272  -0.726
  406    HA   TYR  53           HA       TYR  53  -2.509   2.892   1.077
  407   1HB   TYR  53           HB2      TYR  53  -2.389   2.771  -1.373
  408   2HB   TYR  53           HB1      TYR  53  -2.681   4.500  -1.466
  409    HD1  TYR  53           HD1      TYR  53  -0.958   6.119  -0.857
  410    HD2  TYR  53           HD2      TYR  53  -0.252   1.893  -0.555
  411    HE1  TYR  53           HE1      TYR  53   1.472   6.543  -0.602
  412    HE2  TYR  53           HE2      TYR  53   2.178   2.317  -0.301
  413    HH   TYR  53           HH       TYR  53   3.710   4.795  -1.172
  414    H    GLN  54           HN       GLN  54  -4.085   5.937   0.049
  415    HA   GLN  54           HA       GLN  54  -2.327   7.670   1.567
  416   1HB   GLN  54           HB2      GLN  54  -5.168   8.023   0.549
  417   2HB   GLN  54           HB1      GLN  54  -4.115   9.330   1.089
  418   1HG   GLN  54           HG2      GLN  54  -2.491   8.763  -0.679
  419   2HG   GLN  54           HG1      GLN  54  -3.540   7.453  -1.223
  420   1HE2  GLN  54          HE21      GLN  54  -3.238   9.045  -3.266
  421   2HE2  GLN  54          HE22      GLN  54  -4.475  10.192  -3.454
  422    H    LEU  55           HN       LEU  55  -5.580   6.314   2.205
  423    HA   LEU  55           HA       LEU  55  -6.041   7.571   4.717
  424   1HB   LEU  55           HB2      LEU  55  -6.936   4.941   3.510
  425   2HB   LEU  55           HB1      LEU  55  -7.613   5.595   5.001
  426    HG   LEU  55           HG       LEU  55  -7.567   7.066   2.350
  427   1HD1  LEU  55          HD11      LEU  55 -10.038   6.633   2.389
  428   2HD1  LEU  55          HD12      LEU  55  -9.783   5.551   3.758
  429   3HD1  LEU  55          HD13      LEU  55  -9.074   5.169   2.189
  430   1HD2  LEU  55          HD21      LEU  55  -9.328   8.446   3.639
  431   2HD2  LEU  55          HD22      LEU  55  -7.640   8.668   4.102
  432   3HD2  LEU  55          HD23      LEU  55  -8.699   7.662   5.089
  433    H    GLU  56           HN       GLU  56  -4.521   4.428   3.982
  434    HA   GLU  56           HA       GLU  56  -4.090   3.549   6.663
  435   1HB   GLU  56           HB2      GLU  56  -2.599   3.121   4.058
  436   2HB   GLU  56           HB1      GLU  56  -2.236   2.222   5.531
  437   1HG   GLU  56           HG2      GLU  56  -4.535   1.379   5.616
  438   2HG   GLU  56           HG1      GLU  56  -4.953   2.318   4.186
  439    H    ASN  57           HN       ASN  57  -2.123   5.586   4.516
  440    HA   ASN  57           HA       ASN  57   0.210   5.807   6.132
  441   1HB   ASN  57           HB2      ASN  57  -0.078   6.504   3.754
  442   2HB   ASN  57           HB1      ASN  57  -1.078   7.852   4.295
  443   1HD2  ASN  57          HD21      ASN  57   0.633   9.276   3.297
  444   2HD2  ASN  57          HD22      ASN  57   2.050   9.597   4.173
  445    H    TYR  58           HN       TYR  58  -2.684   7.940   6.034
  446    HA   TYR  58           HA       TYR  58  -1.803   9.766   8.057
  447   1HB   TYR  58           HB2      TYR  58  -4.569   8.888   7.180
  448   2HB   TYR  58           HB1      TYR  58  -4.234  10.308   8.171
  449    HD1  TYR  58           HD1      TYR  58  -2.141  11.759   7.138
  450    HD2  TYR  58           HD2      TYR  58  -4.896   9.325   4.919
  451    HE1  TYR  58           HE1      TYR  58  -1.654  13.074   5.094
  452    HE2  TYR  58           HE2      TYR  58  -4.410  10.639   2.873
  453    HH   TYR  58           HH       TYR  58  -1.799  12.910   2.722
  454    H    CYS  59           HN       CYS  59  -3.695   6.749   8.294
  455    HA   CYS  59           HA       CYS  59  -3.937   7.035  11.226
  456   1HB   CYS  59           HB2      CYS  59  -5.677   6.166   9.502
  457   2HB   CYS  59           HB1      CYS  59  -4.746   4.670   9.535
  458    H    ASN  60           HN       ASN  60  -1.240   6.858  10.570
  459    HA   ASN  60           HA       ASN  60  -0.167   4.186  10.493
  460   1HB   ASN  60           HB2      ASN  60   0.839   6.895  11.376
  461   2HB   ASN  60           HB1      ASN  60   1.861   5.463  11.491
  462   1HD2  ASN  60          HD21      ASN  60   2.263   7.789   9.684
  463   2HD2  ASN  60          HD22      ASN  60   2.225   7.168   8.104
  Start of MODEL   16
    1   1H    PHE   1           HT1      PHE   1 -20.833  -3.647  -3.815
    2   2H    PHE   1           HT2      PHE   1 -19.992  -3.232  -2.398
    3   3H    PHE   1           HT3      PHE   1 -19.540  -4.609  -3.286
    4    HA   PHE   1           HA       PHE   1 -17.988  -2.777  -3.682
    5   1HB   PHE   1           HB2      PHE   1 -18.546  -4.541  -5.350
    6   2HB   PHE   1           HB1      PHE   1 -19.824  -3.507  -5.989
    7    HD1  PHE   1           HD1      PHE   1 -16.174  -3.925  -5.615
    8    HD2  PHE   1           HD2      PHE   1 -19.314  -1.552  -7.337
    9    HE1  PHE   1           HE1      PHE   1 -14.516  -2.782  -7.061
   10    HE2  PHE   1           HE2      PHE   1 -17.654  -0.407  -8.782
   11    HZ   PHE   1           HZ       PHE   1 -15.256  -1.022  -8.644
   12    H    VAL   2           HN       VAL   2 -17.815  -0.564  -3.738
   13    HA   VAL   2           HA       VAL   2 -20.143   1.029  -4.638
   14    HB   VAL   2           HB       VAL   2 -19.587   2.556  -2.757
   15   1HG1  VAL   2          HG11      VAL   2 -21.098   0.403  -2.610
   16   2HG1  VAL   2          HG12      VAL   2 -20.694   1.296  -1.143
   17   3HG1  VAL   2          HG13      VAL   2 -19.814  -0.178  -1.549
   18   1HG2  VAL   2          HG21      VAL   2 -17.172   1.969  -2.619
   19   2HG2  VAL   2          HG22      VAL   2 -17.615   0.386  -1.980
   20   3HG2  VAL   2          HG23      VAL   2 -17.973   1.842  -1.052
   21    H    ASN   3           HN       ASN   3 -19.539   3.188  -5.384
   22    HA   ASN   3           HA       ASN   3 -16.691   3.745  -5.940
   23   1HB   ASN   3           HB2      ASN   3 -17.524   2.179  -7.722
   24   2HB   ASN   3           HB1      ASN   3 -18.763   3.365  -8.133
   25   1HD2  ASN   3          HD21      ASN   3 -17.845   3.726 -10.279
   26   2HD2  ASN   3          HD22      ASN   3 -16.388   4.572 -10.484
   27    H    GLN   4           HN       GLN   4 -17.412   5.514  -4.485
   28    HA   GLN   4           HA       GLN   4 -18.621   7.764  -6.015
   29   1HB   GLN   4           HB2      GLN   4 -19.565   6.825  -3.281
   30   2HB   GLN   4           HB1      GLN   4 -20.229   8.168  -4.205
   31   1HG   GLN   4           HG2      GLN   4 -20.886   6.549  -6.001
   32   2HG   GLN   4           HG1      GLN   4 -20.324   5.230  -4.967
   33   1HE2  GLN   4          HE21      GLN   4 -22.492   4.343  -4.696
   34   2HE2  GLN   4          HE22      GLN   4 -23.661   5.137  -3.755
   35    H    HIS   5           HN       HIS   5 -18.357   9.834  -4.704
   36    HA   HIS   5           HA       HIS   5 -15.660  10.001  -3.602
   37   1HB   HIS   5           HB2      HIS   5 -17.981  11.946  -3.834
   38   2HB   HIS   5           HB1      HIS   5 -16.352  12.404  -3.336
   39    HD1  HIS   5           HD1      HIS   5 -14.422  11.555  -5.170
   40    HD2  HIS   5           HD2      HIS   5 -18.308  12.115  -6.569
   41    HE1  HIS   5           HE1      HIS   5 -14.250  11.791  -7.686
   42    H    LEU   6           HN       LEU   6 -15.098  10.192  -1.413
   43    HA   LEU   6           HA       LEU   6 -17.118   9.398   0.551
   44   1HB   LEU   6           HB2      LEU   6 -14.143   9.946   0.627
   45   2HB   LEU   6           HB1      LEU   6 -15.062   9.417   2.036
   46    HG   LEU   6           HG       LEU   6 -15.006   7.912  -0.591
   47   1HD1  LEU   6          HD11      LEU   6 -13.650   6.816   1.810
   48   2HD1  LEU   6          HD12      LEU   6 -12.842   8.174   1.028
   49   3HD1  LEU   6          HD13      LEU   6 -13.192   6.709   0.111
   50   1HD2  LEU   6          HD21      LEU   6 -15.661   6.125   1.348
   51   2HD2  LEU   6          HD22      LEU   6 -16.860   7.046   0.440
   52   3HD2  LEU   6          HD23      LEU   6 -16.353   7.593   2.038
   53    H    CYS   7           HN       CYS   7 -18.430  11.037   1.238
   54    HA   CYS   7           HA       CYS   7 -17.182  13.438   2.458
   55   1HB   CYS   7           HB2      CYS   7 -17.844  13.617  -0.101
   56   2HB   CYS   7           HB1      CYS   7 -19.475  13.785   0.544
   57    H    GLY   8           HN       GLY   8 -19.047  14.770   3.521
   58   1HA   GLY   8           HA2      GLY   8 -20.755  14.819   5.118
   59   2HA   GLY   8           HA1      GLY   8 -21.630  13.777   3.996
   60    H    SER   9           HN       SER   9 -22.436  12.123   5.257
   61    HA   SER   9           HA       SER   9 -21.152  11.142   7.661
   62   1HB   SER   9           HB2      SER   9 -23.608  11.159   7.104
   63   2HB   SER   9           HB1      SER   9 -23.303   9.867   5.946
   64    HG   SER   9           HG       SER   9 -23.893   9.470   8.358
   65    H    HIS  10           HN       HIS  10 -21.213  10.028   4.301
   66    HA   HIS  10           HA       HIS  10 -20.159   7.411   4.660
   67   1HB   HIS  10           HB2      HIS  10 -19.972   9.446   2.427
   68   2HB   HIS  10           HB1      HIS  10 -19.395   7.788   2.256
   69    HD1  HIS  10           HD1      HIS  10 -21.747   8.717   0.514
   70    HD2  HIS  10           HD2      HIS  10 -22.240   6.903   4.235
   71    HE1  HIS  10           HE1      HIS  10 -24.083   7.739   0.531
   72    H    LEU  11           HN       LEU  11 -18.491  10.536   4.323
   73    HA   LEU  11           HA       LEU  11 -15.822   9.568   4.067
   74   1HB   LEU  11           HB2      LEU  11 -16.562  11.897   3.706
   75   2HB   LEU  11           HB1      LEU  11 -16.908  12.058   5.428
   76    HG   LEU  11           HG       LEU  11 -14.499  11.552   5.906
   77   1HD1  LEU  11          HD11      LEU  11 -13.535  10.446   4.142
   78   2HD1  LEU  11          HD12      LEU  11 -13.118  12.087   3.650
   79   3HD1  LEU  11          HD13      LEU  11 -14.520  11.284   2.943
   80   1HD2  LEU  11          HD21      LEU  11 -13.834  13.764   5.589
   81   2HD2  LEU  11          HD22      LEU  11 -15.584  13.913   5.424
   82   3HD2  LEU  11          HD23      LEU  11 -14.563  13.859   3.987
   83    H    VAL  12           HN       VAL  12 -17.690  10.377   7.015
   84    HA   VAL  12           HA       VAL  12 -15.632   9.894   8.932
   85    HB   VAL  12           HB       VAL  12 -18.658   9.645   8.995
   86   1HG1  VAL  12          HG11      VAL  12 -16.761   9.771  11.362
   87   2HG1  VAL  12          HG12      VAL  12 -17.620   8.321  10.841
   88   3HG1  VAL  12          HG13      VAL  12 -18.523   9.716  11.433
   89   1HG2  VAL  12          HG21      VAL  12 -16.893  11.797  10.173
   90   2HG2  VAL  12          HG22      VAL  12 -18.627  11.862   9.861
   91   3HG2  VAL  12          HG23      VAL  12 -17.488  11.875   8.515
   92    H    GLU  13           HN       GLU  13 -18.070   7.697   7.548
   93    HA   GLU  13           HA       GLU  13 -17.472   5.395   9.087
   94   1HB   GLU  13           HB2      GLU  13 -18.513   5.812   6.280
   95   2HB   GLU  13           HB1      GLU  13 -18.497   4.233   7.067
   96   1HG   GLU  13           HG2      GLU  13 -19.851   5.139   8.922
   97   2HG   GLU  13           HG1      GLU  13 -19.871   6.716   8.139
   98    H    ALA  14           HN       ALA  14 -16.132   6.389   5.929
   99    HA   ALA  14           HA       ALA  14 -14.427   4.126   5.569
  100   1HB   ALA  14           HB1      ALA  14 -15.166   6.449   4.197
  101   2HB   ALA  14           HB2      ALA  14 -14.078   5.194   3.607
  102   3HB   ALA  14           HB3      ALA  14 -13.424   6.613   4.423
  103    H    LEU  15           HN       LEU  15 -13.813   7.324   7.022
  104    HA   LEU  15           HA       LEU  15 -11.013   7.057   7.446
  105   1HB   LEU  15           HB2      LEU  15 -13.203   8.526   8.942
  106   2HB   LEU  15           HB1      LEU  15 -11.482   8.789   9.235
  107    HG   LEU  15           HG       LEU  15 -12.793   9.069   6.517
  108   1HD1  LEU  15          HD11      LEU  15 -12.680  11.474   6.861
  109   2HD1  LEU  15          HD12      LEU  15 -11.934  11.248   8.443
  110   3HD1  LEU  15          HD13      LEU  15 -13.607  10.757   8.179
  111   1HD2  LEU  15          HD21      LEU  15 -10.513   8.693   6.140
  112   2HD2  LEU  15          HD22      LEU  15 -10.032   9.501   7.632
  113   3HD2  LEU  15          HD23      LEU  15 -10.579  10.451   6.250
  114    H    TYR  16           HN       TYR  16 -13.729   6.209   9.631
  115    HA   TYR  16           HA       TYR  16 -12.140   5.316  11.834
  116   1HB   TYR  16           HB2      TYR  16 -14.923   4.881  10.805
  117   2HB   TYR  16           HB1      TYR  16 -14.356   3.890  12.149
  118    HD1  TYR  16           HD1      TYR  16 -15.068   4.696  14.203
  119    HD2  TYR  16           HD2      TYR  16 -13.918   7.495  11.154
  120    HE1  TYR  16           HE1      TYR  16 -15.465   6.571  15.775
  121    HE2  TYR  16           HE2      TYR  16 -14.316   9.370  12.726
  122    HH   TYR  16           HH       TYR  16 -15.813   9.703  14.847
  123    H    LEU  17           HN       LEU  17 -13.389   3.571   8.990
  124    HA   LEU  17           HA       LEU  17 -12.616   0.949   9.728
  125   1HB   LEU  17           HB2      LEU  17 -12.884   2.356   7.088
  126   2HB   LEU  17           HB1      LEU  17 -12.623   0.623   7.211
  127    HG   LEU  17           HG       LEU  17 -14.912   2.065   8.575
  128   1HD1  LEU  17          HD11      LEU  17 -15.269   0.333   6.156
  129   2HD1  LEU  17          HD12      LEU  17 -14.753   2.004   5.925
  130   3HD1  LEU  17          HD13      LEU  17 -16.278   1.656   6.741
  131   1HD2  LEU  17          HD21      LEU  17 -15.013  -0.813   7.833
  132   2HD2  LEU  17          HD22      LEU  17 -15.591  -0.008   9.291
  133   3HD2  LEU  17          HD23      LEU  17 -13.881  -0.395   9.117
  134    H    VAL  18           HN       VAL  18 -10.799   3.515   8.086
  135    HA   VAL  18           HA       VAL  18  -8.474   1.953   7.460
  136    HB   VAL  18           HB       VAL  18  -8.761   4.907   7.960
  137   1HG1  VAL  18          HG11      VAL  18  -6.452   3.543   7.575
  138   2HG1  VAL  18          HG12      VAL  18  -6.705   5.197   7.025
  139   3HG1  VAL  18          HG13      VAL  18  -6.914   3.855   5.902
  140   1HG2  VAL  18          HG21      VAL  18  -8.762   4.151   5.169
  141   2HG2  VAL  18          HG22      VAL  18  -9.977   5.059   6.066
  142   3HG2  VAL  18          HG23      VAL  18 -10.052   3.299   6.018
  143    H    CYS  19           HN       CYS  19  -9.133   4.206  10.158
  144    HA   CYS  19           HA       CYS  19  -6.586   3.800  11.457
  145   1HB   CYS  19           HB2      CYS  19  -9.272   4.847  12.304
  146   2HB   CYS  19           HB1      CYS  19  -7.879   4.867  13.381
  147    H    GLY  20           HN       GLY  20  -9.829   2.437  12.006
  148   1HA   GLY  20           HA2      GLY  20 -10.532   0.556  13.197
  149   2HA   GLY  20           HA1      GLY  20  -8.970  -0.127  12.765
  150    H    GLU  21           HN       GLU  21  -8.901   2.795  14.655
  151    HA   GLU  21           HA       GLU  21  -8.461   1.195  17.122
  152   1HB   GLU  21           HB2      GLU  21  -6.741   3.349  15.881
  153   2HB   GLU  21           HB1      GLU  21  -6.531   2.803  17.545
  154   1HG   GLU  21           HG2      GLU  21  -6.184   0.492  16.748
  155   2HG   GLU  21           HG1      GLU  21  -6.391   1.034  15.084
  156    H    ARG  22           HN       ARG  22  -9.465   2.037  18.900
  157    HA   ARG  22           HA       ARG  22 -11.303   4.206  18.712
  158   1HB   ARG  22           HB2      ARG  22 -11.524   3.844  21.145
  159   2HB   ARG  22           HB1      ARG  22 -11.475   2.311  20.280
  160   1HG   ARG  22           HG2      ARG  22  -8.986   2.224  20.773
  161   2HG   ARG  22           HG1      ARG  22  -9.221   3.618  21.826
  162   1HD   ARG  22           HD2      ARG  22 -10.465   2.405  23.383
  163   2HD   ARG  22           HD1      ARG  22 -10.985   1.207  22.181
  164    HE   ARG  22           HE       ARG  22  -8.186   1.379  23.237
  165   1HH1  ARG  22          HH11      ARG  22 -10.102  -0.153  20.937
  166   2HH1  ARG  22          HH12      ARG  22  -9.668  -1.766  21.396
  167   1HH2  ARG  22          HH21      ARG  22  -7.944  -0.783  24.237
  168   2HH2  ARG  22          HH22      ARG  22  -8.448  -2.121  23.261
  169    H    GLY  23           HN       GLY  23  -7.991   4.051  20.016
  170   1HA   GLY  23           HA2      GLY  23  -8.100   6.918  20.746
  171   2HA   GLY  23           HA1      GLY  23  -6.766   5.816  21.089
  172    H    PHE  24           HN       PHE  24  -8.406   6.568  18.008
  173    HA   PHE  24           HA       PHE  24  -5.854   6.741  16.607
  174   1HB   PHE  24           HB2      PHE  24  -7.274   6.984  14.663
  175   2HB   PHE  24           HB1      PHE  24  -8.048   5.819  15.730
  176    HD1  PHE  24           HD1      PHE  24  -8.215   9.189  14.291
  177    HD2  PHE  24           HD2      PHE  24 -10.103   6.425  16.987
  178    HE1  PHE  24           HE1      PHE  24 -10.256  10.598  14.307
  179    HE2  PHE  24           HE2      PHE  24 -12.141   7.839  17.004
  180    HZ   PHE  24           HZ       PHE  24 -12.217   9.924  15.664
  181    H    PHE  25           HN       PHE  25  -4.719   8.620  16.104
  182    HA   PHE  25           HA       PHE  25  -5.524  11.117  17.357
  183   1HB   PHE  25           HB2      PHE  25  -3.231  10.351  15.525
  184   2HB   PHE  25           HB1      PHE  25  -3.341  11.867  16.419
  185    HD1  PHE  25           HD1      PHE  25  -4.069  11.395  19.040
  186    HD2  PHE  25           HD2      PHE  25  -1.839   8.758  16.486
  187    HE1  PHE  25           HE1      PHE  25  -3.086  10.295  21.033
  188    HE2  PHE  25           HE2      PHE  25  -0.857   7.657  18.479
  189    HZ   PHE  25           HZ       PHE  25  -1.481   8.426  20.753
  190    H    TYR  26           HN       TYR  26  -4.542  10.393  13.993
  191    HA   TYR  26           HA       TYR  26  -5.197  11.386  11.955
  192   1HB   TYR  26           HB2      TYR  26  -7.178   9.995  12.782
  193   2HB   TYR  26           HB1      TYR  26  -7.895  11.514  13.323
  194    HD1  TYR  26           HD1      TYR  26  -8.871  13.055  11.768
  195    HD2  TYR  26           HD2      TYR  26  -6.613   9.688  10.349
  196    HE1  TYR  26           HE1      TYR  26  -9.628  13.524   9.454
  197    HE2  TYR  26           HE2      TYR  26  -7.372  10.154   8.035
  198    HH   TYR  26           HH       TYR  26  -9.927  12.182   7.310
  199    H    THR  27           HN       THR  27  -4.079  13.240  13.752
  200    HA   THR  27           HA       THR  27  -5.754  15.575  14.090
  201    HB   THR  27           HB       THR  27  -2.748  15.172  14.141
  202    HG1  THR  27           HG1      THR  27  -3.920  13.923  15.641
  203   1HG2  THR  27          HG21      THR  27  -4.211  17.332  15.630
  204   2HG2  THR  27          HG22      THR  27  -3.777  17.587  13.941
  205   3HG2  THR  27          HG23      THR  27  -2.520  17.271  15.135
  206    HA   PRO  28           HA       PRO  28  -5.115  17.045   9.912
  207   1HB   PRO  28           HB2      PRO  28  -6.422  19.432  10.143
  208   2HB   PRO  28           HB1      PRO  28  -7.273  17.882  10.006
  209   1HG   PRO  28           HG2      PRO  28  -6.844  19.598  12.371
  210   2HG   PRO  28           HG1      PRO  28  -8.178  18.499  11.995
  211   1HD   PRO  28           HD2      PRO  28  -6.066  17.985  13.750
  212   2HD   PRO  28           HD1      PRO  28  -7.195  16.785  13.088
  213    H    LYS  29           HN       LYS  29  -3.798  18.672   8.867
  214    HA   LYS  29           HA       LYS  29  -1.592  19.691  10.376
  215   1HB   LYS  29           HB2      LYS  29  -1.391  19.160   8.024
  216   2HB   LYS  29           HB1      LYS  29  -2.696  20.268   7.609
  217   1HG   LYS  29           HG2      LYS  29  -0.513  21.282   7.086
  218   2HG   LYS  29           HG1      LYS  29  -1.312  22.176   8.378
  219   1HD   LYS  29           HD2      LYS  29   0.022  20.872  10.044
  220   2HD   LYS  29           HD1      LYS  29   0.887  20.115   8.706
  221   1HE   LYS  29           HE2      LYS  29   2.228  21.993   9.475
  222   2HE   LYS  29           HE1      LYS  29   1.514  22.455   7.919
  223   1HZ   LYS  29           HZ1      LYS  29  -0.140  22.985  10.265
  224   2HZ   LYS  29           HZ2      LYS  29   0.131  23.935   8.883
  225   3HZ   LYS  29           HZ3      LYS  29   1.268  23.922  10.143
  226    H    THR  30           HN       THR  30  -4.581  21.181   9.174
  227    HA   THR  30           HA       THR  30  -5.623  23.220   9.707
  228    HB   THR  30           HB       THR  30  -3.797  23.073  12.124
  229    HG1  THR  30           HG1      THR  30  -5.499  21.888  13.039
  230   1HG2  THR  30          HG21      THR  30  -6.583  24.085  12.266
  231   2HG2  THR  30          HG22      THR  30  -5.422  25.110  11.424
  232   3HG2  THR  30          HG23      THR  30  -5.136  24.649  13.101
  233    H    ARG  31           HN       ARG  31  -4.298  24.036   7.796
  234    HA   ARG  31           HA       ARG  31  -1.824  25.437   8.173
  235   1HB   ARG  31           HB2      ARG  31  -4.054  25.683   6.128
  236   2HB   ARG  31           HB1      ARG  31  -2.484  26.466   5.962
  237   1HG   ARG  31           HG2      ARG  31  -1.454  24.139   6.230
  238   2HG   ARG  31           HG1      ARG  31  -3.083  23.502   6.010
  239   1HD   ARG  31           HD2      ARG  31  -1.539  25.226   4.032
  240   2HD   ARG  31           HD1      ARG  31  -1.986  23.522   3.830
  241    HE   ARG  31           HE       ARG  31  -4.022  25.712   4.065
  242   1HH1  ARG  31          HH21      ARG  31  -4.272  22.515   4.108
  243   2HH1  ARG  31          HH22      ARG  31  -5.029  22.304   2.564
  244   1HH2  ARG  31          HH11      ARG  31  -4.393  25.546   1.512
  245   2HH2  ARG  31          HH12      ARG  31  -5.099  24.020   1.094
  246    H    ARG  32           HN       ARG  32  -5.223  26.431   8.231
  247    HA   ARG  32           HA       ARG  32  -4.493  29.197   8.952
  248   1HB   ARG  32           HB2      ARG  32  -7.049  27.735   8.245
  249   2HB   ARG  32           HB1      ARG  32  -7.019  29.438   8.708
  250   1HG   ARG  32           HG2      ARG  32  -5.612  30.005   6.835
  251   2HG   ARG  32           HG1      ARG  32  -5.347  28.305   6.450
  252   1HD   ARG  32           HD2      ARG  32  -7.044  29.410   4.947
  253   2HD   ARG  32           HD1      ARG  32  -7.716  28.038   5.849
  254    HE   ARG  32           HE       ARG  32  -8.713  29.663   7.427
  255   1HH1  ARG  32          HH21      ARG  32  -7.016  32.031   6.966
  256   2HH1  ARG  32          HH22      ARG  32  -8.010  33.028   5.957
  257   1HH2  ARG  32          HH11      ARG  32 -10.149  30.447   5.064
  258   2HH2  ARG  32          HH12      ARG  32  -9.786  32.130   4.878
  259    H    TYR  33           HN       TYR  33  -4.715  29.949  11.051
  260    HA   TYR  33           HA       TYR  33  -5.215  28.037  13.197
  261   1HB   TYR  33           HB2      TYR  33  -4.075  30.674  12.789
  262   2HB   TYR  33           HB1      TYR  33  -5.131  30.670  14.200
  263    HD1  TYR  33           HD1      TYR  33  -2.298  28.825  12.610
  264    HD2  TYR  33           HD2      TYR  33  -4.443  29.692  16.229
  265    HE1  TYR  33           HE1      TYR  33  -0.561  27.639  13.925
  266    HE2  TYR  33           HE2      TYR  33  -2.707  28.507  17.544
  267    HH   TYR  33           HH       TYR  33   0.234  27.882  16.559
  268    HA   PRO  34           HA       PRO  34  -9.066  30.710  14.036
  269   1HB   PRO  34           HB2      PRO  34  -9.852  32.554  12.172
  270   2HB   PRO  34           HB1      PRO  34  -8.753  32.937  13.512
  271   1HG   PRO  34           HG2      PRO  34  -8.140  32.405  10.654
  272   2HG   PRO  34           HG1      PRO  34  -7.390  33.548  11.779
  273   1HD   PRO  34           HD2      PRO  34  -6.289  31.149  11.069
  274   2HD   PRO  34           HD1      PRO  34  -5.940  31.985  12.597
  275    H    GLY  35           HN       GLY  35 -10.937  29.598  13.656
  276   1HA   GLY  35           HA2      GLY  35 -12.752  28.821  12.241
  277   2HA   GLY  35           HA1      GLY  35 -11.649  28.854  10.864
  278    H    ASP  36           HN       ASP  36  -9.528  27.552  12.645
  279    HA   ASP  36           HA       ASP  36  -8.722  25.354  12.921
  280   1HB   ASP  36           HB2      ASP  36 -11.599  25.120  13.865
  281   2HB   ASP  36           HB1      ASP  36 -10.326  23.956  14.234
  282    H    VAL  37           HN       VAL  37  -9.705  25.965  10.290
  283    HA   VAL  37           HA       VAL  37 -10.291  24.887   8.268
  284    HB   VAL  37           HB       VAL  37  -9.609  22.452   9.961
  285   1HG1  VAL  37          HG11      VAL  37  -8.732  21.795   7.545
  286   2HG1  VAL  37          HG12      VAL  37  -9.969  22.939   7.029
  287   3HG1  VAL  37          HG13      VAL  37 -10.415  21.532   7.991
  288   1HG2  VAL  37          HG21      VAL  37  -7.911  24.443   8.452
  289   2HG2  VAL  37          HG22      VAL  37  -7.336  22.813   8.799
  290   3HG2  VAL  37          HG23      VAL  37  -7.739  23.906  10.123
  291    H    LYS  38           HN       LYS  38 -11.906  23.172   7.357
  292    HA   LYS  38           HA       LYS  38 -14.486  23.532   8.618
  293   1HB   LYS  38           HB2      LYS  38 -13.980  23.268   6.161
  294   2HB   LYS  38           HB1      LYS  38 -13.621  21.569   6.471
  295   1HG   LYS  38           HG2      LYS  38 -15.872  21.148   7.213
  296   2HG   LYS  38           HG1      LYS  38 -16.258  22.870   7.194
  297   1HD   LYS  38           HD2      LYS  38 -15.573  22.726   4.670
  298   2HD   LYS  38           HD1      LYS  38 -15.862  20.997   4.877
  299   1HE   LYS  38           HE2      LYS  38 -18.150  21.334   5.444
  300   2HE   LYS  38           HE1      LYS  38 -17.904  23.071   5.717
  301   1HZ   LYS  38           HZ1      LYS  38 -17.773  21.598   3.147
  302   2HZ   LYS  38           HZ2      LYS  38 -17.138  23.163   3.332
  303   3HZ   LYS  38           HZ3      LYS  38 -18.799  22.884   3.556
  304    H    ARG  39           HN       ARG  39 -12.199  20.840   8.380
  305    HA   ARG  39           HA       ARG  39 -13.226  19.652  10.829
  306   1HB   ARG  39           HB2      ARG  39 -14.714  19.001   8.798
  307   2HB   ARG  39           HB1      ARG  39 -13.350  17.990   8.318
  308   1HG   ARG  39           HG2      ARG  39 -13.434  16.783  10.427
  309   2HG   ARG  39           HG1      ARG  39 -14.689  17.863  11.035
  310   1HD   ARG  39           HD2      ARG  39 -14.980  16.029   8.624
  311   2HD   ARG  39           HD1      ARG  39 -15.697  15.755  10.224
  312    HE   ARG  39           HE       ARG  39 -16.477  17.917   8.338
  313   1HH1  ARG  39          HH21      ARG  39 -18.442  15.941   9.432
  314   2HH1  ARG  39          HH22      ARG  39 -19.203  16.846  10.698
  315   1HH2  ARG  39          HH11      ARG  39 -16.725  19.269  10.817
  316   2HH2  ARG  39          HH12      ARG  39 -18.231  18.731  11.481
  317    H    GLY  40           HN       GLY  40 -11.173  19.263   7.946
  318   1HA   GLY  40           HA2      GLY  40  -8.700  19.150   9.092
  319   2HA   GLY  40           HA1      GLY  40  -9.296  17.510   9.356
  320    H    ILE  41           HN       ILE  41 -10.043  16.336   7.398
  321    HA   ILE  41           HA       ILE  41  -8.547  17.186   4.937
  322    HB   ILE  41           HB       ILE  41  -8.888  14.452   6.216
  323   1HG1  ILE  41          HG12      ILE  41  -6.377  16.092   5.775
  324   2HG1  ILE  41          HG11      ILE  41  -7.281  16.093   7.290
  325   1HG2  ILE  41          HG21      ILE  41  -8.684  13.825   4.012
  326   2HG2  ILE  41          HG22      ILE  41  -6.975  14.075   4.368
  327   3HG2  ILE  41          HG23      ILE  41  -7.898  15.333   3.545
  328   1HD1  ILE  41          HD11      ILE  41  -6.722  13.893   7.785
  329   2HD1  ILE  41          HD12      ILE  41  -5.263  14.418   6.943
  330   3HD1  ILE  41          HD13      ILE  41  -6.479  13.465   6.091
  331    H    VAL  42           HN       VAL  42 -11.608  16.915   6.042
  332    HA   VAL  42           HA       VAL  42 -12.961  15.144   4.275
  333    HB   VAL  42           HB       VAL  42 -13.900  16.206   6.304
  334   1HG1  VAL  42          HG11      VAL  42 -12.840  18.452   5.908
  335   2HG1  VAL  42          HG12      VAL  42 -14.553  18.542   6.315
  336   3HG1  VAL  42          HG13      VAL  42 -14.034  18.739   4.642
  337   1HG2  VAL  42          HG21      VAL  42 -15.980  15.944   5.456
  338   2HG2  VAL  42          HG22      VAL  42 -15.211  15.728   3.886
  339   3HG2  VAL  42          HG23      VAL  42 -15.793  17.319   4.369
  340    H    GLU  43           HN       GLU  43 -12.085  18.572   3.855
  341    HA   GLU  43           HA       GLU  43 -13.440  19.049   1.408
  342   1HB   GLU  43           HB2      GLU  43 -10.906  20.154   2.642
  343   2HB   GLU  43           HB1      GLU  43 -11.643  20.843   1.195
  344   1HG   GLU  43           HG2      GLU  43 -13.738  21.227   2.425
  345   2HG   GLU  43           HG1      GLU  43 -13.029  20.511   3.872
  346    H    GLN  44           HN       GLN  44 -10.188  17.735   2.019
  347    HA   GLN  44           HA       GLN  44  -9.326  17.663  -0.728
  348   1HB   GLN  44           HB2      GLN  44  -8.546  16.098   1.750
  349   2HB   GLN  44           HB1      GLN  44  -7.642  16.052   0.237
  350   1HG   GLN  44           HG2      GLN  44  -7.239  18.462   0.365
  351   2HG   GLN  44           HG1      GLN  44  -8.211  18.567   1.833
  352   1HE2  GLN  44          HE21      GLN  44  -5.619  19.440   2.118
  353   2HE2  GLN  44          HE22      GLN  44  -4.679  18.301   2.956
  354    H    CYS  45           HN       CYS  45 -10.910  15.206   1.338
  355    HA   CYS  45           HA       CYS  45 -10.789  13.168  -0.762
  356   1HB   CYS  45           HB2      CYS  45 -12.009  13.385   1.991
  357   2HB   CYS  45           HB1      CYS  45 -12.200  11.942   0.998
  358    H    CYS  46           HN       CYS  46 -13.162  15.553   0.269
  359    HA   CYS  46           HA       CYS  46 -15.485  14.249  -0.832
  360   1HB   CYS  46           HB2      CYS  46 -14.715  17.073  -0.106
  361   2HB   CYS  46           HB1      CYS  46 -16.289  16.724  -0.824
  362    H    THR  47           HN       THR  47 -13.082  16.481  -2.222
  363    HA   THR  47           HA       THR  47 -14.443  16.824  -4.761
  364    HB   THR  47           HB       THR  47 -11.525  17.123  -3.967
  365    HG1  THR  47           HG1      THR  47 -12.078  19.139  -3.377
  366   1HG2  THR  47          HG21      THR  47 -13.111  18.315  -6.260
  367   2HG2  THR  47          HG22      THR  47 -11.864  17.076  -6.406
  368   3HG2  THR  47          HG23      THR  47 -11.435  18.700  -5.867
  369    H    SER  48           HN       SER  48 -11.844  14.648  -3.625
  370    HA   SER  48           HA       SER  48 -12.283  12.971  -6.078
  371   1HB   SER  48           HB2      SER  48  -9.683  13.683  -4.681
  372   2HB   SER  48           HB1      SER  48  -9.826  12.594  -6.058
  373    HG   SER  48           HG       SER  48  -9.315  14.656  -6.786
  374    H    ILE  49           HN       ILE  49 -12.175  10.708  -5.703
  375    HA   ILE  49           HA       ILE  49 -12.880   9.746  -3.097
  376    HB   ILE  49           HB       ILE  49 -11.739   8.316  -5.527
  377   1HG1  ILE  49          HG12      ILE  49 -14.631   8.652  -4.678
  378   2HG1  ILE  49          HG11      ILE  49 -13.846   9.697  -5.860
  379   1HG2  ILE  49          HG21      ILE  49 -11.597   6.805  -3.685
  380   2HG2  ILE  49          HG22      ILE  49 -13.090   6.380  -4.520
  381   3HG2  ILE  49          HG23      ILE  49 -13.150   7.332  -3.037
  382   1HD1  ILE  49          HD11      ILE  49 -14.254   6.701  -6.071
  383   2HD1  ILE  49          HD12      ILE  49 -13.267   7.639  -7.192
  384   3HD1  ILE  49          HD13      ILE  49 -14.999   7.947  -7.071
  385    H    CYS  50           HN       CYS  50 -11.585   9.245  -1.379
  386    HA   CYS  50           HA       CYS  50  -8.640   9.394  -1.699
  387   1HB   CYS  50           HB2      CYS  50 -10.666   9.543   0.507
  388   2HB   CYS  50           HB1      CYS  50  -9.015   9.082   0.928
  389    H    SER  51           HN       SER  51  -7.435   7.547  -1.834
  390    HA   SER  51           HA       SER  51  -8.705   4.927  -1.729
  391   1HB   SER  51           HB2      SER  51  -6.419   4.191  -2.332
  392   2HB   SER  51           HB1      SER  51  -6.934   5.552  -3.323
  393    HG   SER  51           HG       SER  51  -4.825   5.360  -1.704
  394    H    LEU  52           HN       LEU  52  -7.946   3.179  -0.343
  395    HA   LEU  52           HA       LEU  52  -7.997   3.745   2.428
  396   1HB   LEU  52           HB2      LEU  52  -8.601   1.602   1.367
  397   2HB   LEU  52           HB1      LEU  52  -6.918   1.349   0.907
  398    HG   LEU  52           HG       LEU  52  -6.327   1.468   3.367
  399   1HD1  LEU  52          HD11      LEU  52  -9.253   1.900   3.476
  400   2HD1  LEU  52          HD12      LEU  52  -8.000   2.383   4.618
  401   3HD1  LEU  52          HD13      LEU  52  -8.630   0.736   4.645
  402   1HD2  LEU  52          HD21      LEU  52  -8.106  -0.674   2.205
  403   2HD2  LEU  52          HD22      LEU  52  -7.449  -0.833   3.834
  404   3HD2  LEU  52          HD23      LEU  52  -6.360  -0.707   2.452
  405    H    TYR  53           HN       TYR  53  -5.219   3.135   0.275
  406    HA   TYR  53           HA       TYR  53  -3.182   2.980   2.244
  407   1HB   TYR  53           HB2      TYR  53  -2.973   2.397  -0.146
  408   2HB   TYR  53           HB1      TYR  53  -3.093   4.104  -0.550
  409    HD1  TYR  53           HD1      TYR  53  -1.279   5.677   0.014
  410    HD2  TYR  53           HD2      TYR  53  -0.966   1.478   0.860
  411    HE1  TYR  53           HE1      TYR  53   1.161   5.933   0.382
  412    HE2  TYR  53           HE2      TYR  53   1.473   1.733   1.228
  413    HH   TYR  53           HH       TYR  53   3.030   3.685   1.923
  414    H    GLN  54           HN       GLN  54  -4.555   5.836   0.603
  415    HA   GLN  54           HA       GLN  54  -2.712   7.752   1.732
  416   1HB   GLN  54           HB2      GLN  54  -5.542   7.970   0.654
  417   2HB   GLN  54           HB1      GLN  54  -4.492   9.352   0.971
  418   1HG   GLN  54           HG2      GLN  54  -3.799   7.072  -0.904
  419   2HG   GLN  54           HG1      GLN  54  -4.450   8.627  -1.422
  420   1HE2  GLN  54          HE21      GLN  54  -3.047  10.453   0.125
  421   2HE2  GLN  54          HE22      GLN  54  -1.382  10.329  -0.180
  422    H    LEU  55           HN       LEU  55  -5.940   6.596   2.739
  423    HA   LEU  55           HA       LEU  55  -6.316   8.391   4.940
  424   1HB   LEU  55           HB2      LEU  55  -7.256   5.559   4.383
  425   2HB   LEU  55           HB1      LEU  55  -7.904   6.570   5.675
  426    HG   LEU  55           HG       LEU  55  -7.885   7.367   2.752
  427   1HD1  LEU  55          HD11      LEU  55 -10.319   6.537   4.323
  428   2HD1  LEU  55          HD12      LEU  55  -9.341   5.337   3.479
  429   3HD1  LEU  55          HD13      LEU  55 -10.115   6.639   2.574
  430   1HD2  LEU  55          HD21      LEU  55  -8.311   9.399   3.657
  431   2HD2  LEU  55          HD22      LEU  55  -8.524   8.722   5.271
  432   3HD2  LEU  55          HD23      LEU  55  -9.877   8.750   4.141
  433    H    GLU  56           HN       GLU  56  -4.785   5.208   4.690
  434    HA   GLU  56           HA       GLU  56  -4.229   4.747   7.448
  435   1HB   GLU  56           HB2      GLU  56  -2.849   3.955   4.867
  436   2HB   GLU  56           HB1      GLU  56  -2.394   3.293   6.438
  437   1HG   GLU  56           HG2      GLU  56  -4.669   2.438   6.765
  438   2HG   GLU  56           HG1      GLU  56  -5.175   3.145   5.236
  439    H    ASN  57           HN       ASN  57  -2.399   6.485   4.942
  440    HA   ASN  57           HA       ASN  57  -0.023   6.972   6.443
  441   1HB   ASN  57           HB2      ASN  57  -1.427   8.535   4.254
  442   2HB   ASN  57           HB1      ASN  57   0.234   8.835   4.769
  443   1HD2  ASN  57          HD21      ASN  57   1.226   6.233   5.112
  444   2HD2  ASN  57          HD22      ASN  57   1.174   5.398   3.637
  445    H    TYR  58           HN       TYR  58  -3.023   8.946   6.171
  446    HA   TYR  58           HA       TYR  58  -2.072  11.082   7.876
  447   1HB   TYR  58           HB2      TYR  58  -4.819  10.078   7.090
  448   2HB   TYR  58           HB1      TYR  58  -4.572  11.525   8.064
  449    HD1  TYR  58           HD1      TYR  58  -2.531  13.064   7.017
  450    HD2  TYR  58           HD2      TYR  58  -5.182  10.485   4.832
  451    HE1  TYR  58           HE1      TYR  58  -2.134  14.396   4.963
  452    HE2  TYR  58           HE2      TYR  58  -4.783  11.816   2.778
  453    HH   TYR  58           HH       TYR  58  -2.808  13.358   1.941
  454    H    CYS  59           HN       CYS  59  -3.664   7.993   8.493
  455    HA   CYS  59           HA       CYS  59  -4.052   8.603  11.359
  456   1HB   CYS  59           HB2      CYS  59  -5.591   7.293   9.736
  457   2HB   CYS  59           HB1      CYS  59  -4.447   5.966   9.939
  458    H    ASN  60           HN       ASN  60  -1.404   8.824  11.000
  459    HA   ASN  60           HA       ASN  60   0.107   6.356  11.161
  460   1HB   ASN  60           HB2      ASN  60   0.643   9.257  11.847
  461   2HB   ASN  60           HB1      ASN  60   1.882   8.008  11.981
  462   1HD2  ASN  60          HD21      ASN  60   1.776  10.315  10.050
  463   2HD2  ASN  60          HD22      ASN  60   1.825   9.612   8.506
  Start of MODEL   17
    1   1H    PHE   1           HT1      PHE   1 -15.753  -4.706  -9.060
    2   2H    PHE   1           HT2      PHE   1 -17.368  -4.364  -8.661
    3   3H    PHE   1           HT3      PHE   1 -16.590  -5.712  -7.982
    4    HA   PHE   1           HA       PHE   1 -16.743  -3.887  -6.374
    5   1HB   PHE   1           HB2      PHE   1 -14.939  -5.577  -6.368
    6   2HB   PHE   1           HB1      PHE   1 -13.992  -4.574  -7.465
    7    HD1  PHE   1           HD1      PHE   1 -15.255  -4.940  -4.025
    8    HD2  PHE   1           HD2      PHE   1 -12.950  -2.499  -6.705
    9    HE1  PHE   1           HE1      PHE   1 -14.336  -3.686  -2.093
   10    HE2  PHE   1           HE2      PHE   1 -12.031  -1.245  -4.773
   11    HZ   PHE   1           HZ       PHE   1 -12.724  -1.838  -2.467
   12    H    VAL   2           HN       VAL   2 -16.676  -1.671  -6.091
   13    HA   VAL   2           HA       VAL   2 -15.314  -0.022  -8.147
   14    HB   VAL   2           HB       VAL   2 -17.287   1.485  -7.957
   15   1HG1  VAL   2          HG11      VAL   2 -17.212  -0.210  -9.731
   16   2HG1  VAL   2          HG12      VAL   2 -18.866   0.004  -9.157
   17   3HG1  VAL   2          HG13      VAL   2 -17.927  -1.396  -8.638
   18   1HG2  VAL   2          HG21      VAL   2 -19.116   1.026  -6.596
   19   2HG2  VAL   2          HG22      VAL   2 -17.806   0.415  -5.587
   20   3HG2  VAL   2          HG23      VAL   2 -18.773  -0.703  -6.548
   21    H    ASN   3           HN       ASN   3 -14.996   2.278  -7.324
   22    HA   ASN   3           HA       ASN   3 -14.867   2.599  -4.387
   23   1HB   ASN   3           HB2      ASN   3 -12.811   1.368  -5.066
   24   2HB   ASN   3           HB1      ASN   3 -12.426   2.664  -6.198
   25   1HD2  ASN   3          HD21      ASN   3 -10.394   2.624  -4.644
   26   2HD2  ASN   3          HD22      ASN   3 -10.473   3.657  -3.300
   27    H    GLN   4           HN       GLN   4 -16.249   4.377  -4.699
   28    HA   GLN   4           HA       GLN   4 -15.636   6.508  -6.619
   29   1HB   GLN   4           HB2      GLN   4 -17.668   6.163  -4.392
   30   2HB   GLN   4           HB1      GLN   4 -17.682   7.492  -5.552
   31   1HG   GLN   4           HG2      GLN   4 -17.941   5.930  -7.407
   32   2HG   GLN   4           HG1      GLN   4 -17.799   4.556  -6.309
   33   1HE2  GLN   4          HE21      GLN   4 -20.140   5.020  -7.958
   34   2HE2  GLN   4          HE22      GLN   4 -21.446   5.335  -6.920
   35    H    HIS   5           HN       HIS   5 -16.046   8.837  -5.417
   36    HA   HIS   5           HA       HIS   5 -13.617   9.393  -3.941
   37   1HB   HIS   5           HB2      HIS   5 -16.113  10.883  -4.738
   38   2HB   HIS   5           HB1      HIS   5 -14.917  11.651  -3.697
   39    HD1  HIS   5           HD1      HIS   5 -13.117  12.853  -4.904
   40    HD2  HIS   5           HD2      HIS   5 -14.754   9.821  -7.250
   41    HE1  HIS   5           HE1      HIS   5 -11.987  13.009  -7.164
   42    H    LEU   6           HN       LEU   6 -13.416  10.024  -1.730
   43    HA   LEU   6           HA       LEU   6 -15.572   9.046   0.055
   44   1HB   LEU   6           HB2      LEU   6 -12.601   9.486   0.265
   45   2HB   LEU   6           HB1      LEU   6 -13.579   9.284   1.719
   46    HG   LEU   6           HG       LEU   6 -13.699   7.332  -0.583
   47   1HD1  LEU   6          HD11      LEU   6 -11.804   7.482   1.754
   48   2HD1  LEU   6          HD12      LEU   6 -11.446   7.126   0.064
   49   3HD1  LEU   6          HD13      LEU   6 -12.256   5.922   1.066
   50   1HD2  LEU   6          HD21      LEU   6 -14.685   7.455   2.253
   51   2HD2  LEU   6          HD22      LEU   6 -14.362   5.887   1.514
   52   3HD2  LEU   6          HD23      LEU   6 -15.552   6.972   0.795
   53    H    CYS   7           HN       CYS   7 -16.945  10.875   0.112
   54    HA   CYS   7           HA       CYS   7 -15.936  13.180   1.689
   55   1HB   CYS   7           HB2      CYS   7 -15.841  13.331  -0.996
   56   2HB   CYS   7           HB1      CYS   7 -17.529  13.783  -0.768
   57    H    GLY   8           HN       GLY   8 -18.099  14.774   1.736
   58   1HA   GLY   8           HA2      GLY   8 -20.227  15.008   2.667
   59   2HA   GLY   8           HA1      GLY   8 -20.689  13.698   1.580
   60    H    SER   9           HN       SER   9 -22.028  12.607   3.094
   61    HA   SER   9           HA       SER   9 -21.232  12.043   5.823
   62   1HB   SER   9           HB2      SER   9 -23.564  12.184   4.985
   63   2HB   SER   9           HB1      SER   9 -23.291  10.743   4.010
   64    HG   SER   9           HG       SER   9 -23.011  10.904   6.835
   65    H    HIS  10           HN       HIS  10 -20.775  10.396   2.763
   66    HA   HIS  10           HA       HIS  10 -20.221   7.755   3.692
   67   1HB   HIS  10           HB2      HIS  10 -19.385   9.400   1.300
   68   2HB   HIS  10           HB1      HIS  10 -18.912   7.709   1.475
   69    HD1  HIS  10           HD1      HIS  10 -22.022   9.875   1.259
   70    HD2  HIS  10           HD2      HIS  10 -20.931   5.869   0.882
   71    HE1  HIS  10           HE1      HIS  10 -24.067   8.653   0.400
   72    H    LEU  11           HN       LEU  11 -18.066  10.575   3.286
   73    HA   LEU  11           HA       LEU  11 -15.578   9.259   3.737
   74   1HB   LEU  11           HB2      LEU  11 -15.822  11.549   2.900
   75   2HB   LEU  11           HB1      LEU  11 -16.538  12.060   4.426
   76    HG   LEU  11           HG       LEU  11 -14.427  11.502   5.595
   77   1HD1  LEU  11          HD11      LEU  11 -13.671   9.724   4.042
   78   2HD1  LEU  11          HD12      LEU  11 -12.422  10.943   4.288
   79   3HD1  LEU  11          HD13      LEU  11 -13.374  10.945   2.805
   80   1HD2  LEU  11          HD21      LEU  11 -12.997  13.208   4.052
   81   2HD2  LEU  11          HD22      LEU  11 -14.304  13.740   5.109
   82   3HD2  LEU  11          HD23      LEU  11 -14.607  13.488   3.390
   83    H    VAL  12           HN       VAL  12 -17.699  10.926   6.119
   84    HA   VAL  12           HA       VAL  12 -16.110  10.261   8.426
   85    HB   VAL  12           HB       VAL  12 -19.037  10.952   7.989
   86   1HG1  VAL  12          HG11      VAL  12 -17.489  10.886  10.601
   87   2HG1  VAL  12          HG12      VAL  12 -18.768   9.760  10.145
   88   3HG1  VAL  12          HG13      VAL  12 -19.143  11.464  10.396
   89   1HG2  VAL  12          HG21      VAL  12 -16.518  12.479   8.583
   90   2HG2  VAL  12          HG22      VAL  12 -18.071  13.120   9.118
   91   3HG2  VAL  12          HG23      VAL  12 -17.779  12.831   7.402
   92    H    GLU  13           HN       GLU  13 -18.971   8.749   6.963
   93    HA   GLU  13           HA       GLU  13 -19.309   6.594   8.778
   94   1HB   GLU  13           HB2      GLU  13 -20.876   7.417   6.994
   95   2HB   GLU  13           HB1      GLU  13 -19.824   6.674   5.791
   96   1HG   GLU  13           HG2      GLU  13 -20.174   4.469   6.831
   97   2HG   GLU  13           HG1      GLU  13 -21.211   5.203   8.052
   98    H    ALA  14           HN       ALA  14 -17.318   6.879   5.849
   99    HA   ALA  14           HA       ALA  14 -16.428   4.186   5.671
  100   1HB   ALA  14           HB1      ALA  14 -16.215   6.136   4.023
  101   2HB   ALA  14           HB2      ALA  14 -14.805   5.087   4.163
  102   3HB   ALA  14           HB3      ALA  14 -14.823   6.653   4.974
  103    H    LEU  15           HN       LEU  15 -15.071   6.971   7.459
  104    HA   LEU  15           HA       LEU  15 -12.680   5.719   8.385
  105   1HB   LEU  15           HB2      LEU  15 -14.484   7.870   9.529
  106   2HB   LEU  15           HB1      LEU  15 -12.911   7.470  10.221
  107    HG   LEU  15           HG       LEU  15 -13.317   8.238   7.319
  108   1HD1  LEU  15          HD11      LEU  15 -12.502   9.903   9.717
  109   2HD1  LEU  15          HD12      LEU  15 -13.883  10.171   8.653
  110   3HD1  LEU  15          HD13      LEU  15 -12.244  10.408   8.047
  111   1HD2  LEU  15          HD21      LEU  15 -10.963   7.646   9.100
  112   2HD2  LEU  15          HD22      LEU  15 -10.771   8.722   7.715
  113   3HD2  LEU  15          HD23      LEU  15 -11.296   7.056   7.471
  114    H    TYR  16           HN       TYR  16 -15.894   5.956   9.957
  115    HA   TYR  16           HA       TYR  16 -15.259   4.418  12.287
  116   1HB   TYR  16           HB2      TYR  16 -17.763   5.037  10.714
  117   2HB   TYR  16           HB1      TYR  16 -17.832   4.005  12.142
  118    HD1  TYR  16           HD1      TYR  16 -16.391   5.000  14.219
  119    HD2  TYR  16           HD2      TYR  16 -18.152   7.301  11.047
  120    HE1  TYR  16           HE1      TYR  16 -16.381   7.011  15.671
  121    HE2  TYR  16           HE2      TYR  16 -18.141   9.311  12.498
  122    HH   TYR  16           HH       TYR  16 -18.143   9.533  15.329
  123    H    LEU  17           HN       LEU  17 -16.449   3.475   9.077
  124    HA   LEU  17           HA       LEU  17 -16.835   0.689   9.624
  125   1HB   LEU  17           HB2      LEU  17 -16.349   2.311   7.143
  126   2HB   LEU  17           HB1      LEU  17 -16.767   0.604   7.091
  127    HG   LEU  17           HG       LEU  17 -18.446   2.663   8.539
  128   1HD1  LEU  17          HD11      LEU  17 -18.618   1.642   5.691
  129   2HD1  LEU  17          HD12      LEU  17 -18.459   3.317   6.220
  130   3HD1  LEU  17          HD13      LEU  17 -19.959   2.437   6.515
  131   1HD2  LEU  17          HD21      LEU  17 -20.165   0.890   8.349
  132   2HD2  LEU  17          HD22      LEU  17 -18.745   0.307   9.215
  133   3HD2  LEU  17          HD23      LEU  17 -18.998  -0.148   7.530
  134    H    VAL  18           HN       VAL  18 -14.091   2.510   8.267
  135    HA   VAL  18           HA       VAL  18 -12.476   0.160   7.731
  136    HB   VAL  18           HB       VAL  18 -11.862   3.099   7.952
  137   1HG1  VAL  18          HG11      VAL  18 -10.207   0.754   7.048
  138   2HG1  VAL  18          HG12      VAL  18  -9.745   2.084   8.110
  139   3HG1  VAL  18          HG13      VAL  18  -9.924   2.361   6.377
  140   1HG2  VAL  18          HG21      VAL  18 -12.712   3.310   5.868
  141   2HG2  VAL  18          HG22      VAL  18 -13.402   1.702   6.081
  142   3HG2  VAL  18          HG23      VAL  18 -11.835   1.891   5.296
  143    H    CYS  19           HN       CYS  19 -12.057   2.797  10.103
  144    HA   CYS  19           HA       CYS  19 -10.021   1.411  11.607
  145   1HB   CYS  19           HB2      CYS  19 -11.813   3.763  12.141
  146   2HB   CYS  19           HB1      CYS  19 -10.522   3.278  13.237
  147    H    GLY  20           HN       GLY  20 -13.517   1.836  12.067
  148   1HA   GLY  20           HA2      GLY  20 -15.037   0.668  13.399
  149   2HA   GLY  20           HA1      GLY  20 -13.845  -0.625  13.458
  150    H    GLU  21           HN       GLU  21 -12.768   2.471  14.583
  151    HA   GLU  21           HA       GLU  21 -13.379   1.774  17.393
  152   1HB   GLU  21           HB2      GLU  21 -10.653   2.217  16.161
  153   2HB   GLU  21           HB1      GLU  21 -10.933   2.271  17.902
  154   1HG   GLU  21           HG2      GLU  21 -11.850  -0.033  17.811
  155   2HG   GLU  21           HG1      GLU  21 -11.519  -0.085  16.082
  156    H    ARG  22           HN       ARG  22 -13.126   3.619  18.847
  157    HA   ARG  22           HA       ARG  22 -13.387   6.228  17.445
  158   1HB   ARG  22           HB2      ARG  22 -14.397   5.116  20.069
  159   2HB   ARG  22           HB1      ARG  22 -14.591   6.807  19.606
  160   1HG   ARG  22           HG2      ARG  22 -15.809   6.120  17.576
  161   2HG   ARG  22           HG1      ARG  22 -15.613   4.426  18.029
  162   1HD   ARG  22           HD2      ARG  22 -17.030   6.493  19.751
  163   2HD   ARG  22           HD1      ARG  22 -17.853   5.324  18.699
  164    HE   ARG  22           HE       ARG  22 -15.965   3.927  20.343
  165   1HH1  ARG  22          HH11      ARG  22 -17.583   6.008  22.066
  166   2HH1  ARG  22          HH12      ARG  22 -18.787   4.950  22.721
  167   1HH2  ARG  22          HH21      ARG  22 -18.112   2.376  20.497
  168   2HH2  ARG  22          HH22      ARG  22 -19.087   2.892  21.832
  169    H    GLY  23           HN       GLY  23 -10.890   4.686  18.653
  170   1HA   GLY  23           HA2      GLY  23  -9.974   6.270  20.865
  171   2HA   GLY  23           HA1      GLY  23  -8.956   5.258  19.843
  172    H    PHE  24           HN       PHE  24  -9.249   6.431  17.368
  173    HA   PHE  24           HA       PHE  24  -7.606   8.825  17.673
  174   1HB   PHE  24           HB2      PHE  24  -7.357   8.604  15.276
  175   2HB   PHE  24           HB1      PHE  24  -7.347   6.980  15.955
  176    HD1  PHE  24           HD1      PHE  24  -9.277   5.463  15.629
  177    HD2  PHE  24           HD2      PHE  24  -9.224   9.417  13.951
  178    HE1  PHE  24           HE1      PHE  24 -11.194   4.874  14.172
  179    HE2  PHE  24           HE2      PHE  24 -11.138   8.824  12.492
  180    HZ   PHE  24           HZ       PHE  24 -12.123   6.552  12.602
  181    H    PHE  25           HN       PHE  25  -8.333  10.921  17.651
  182    HA   PHE  25           HA       PHE  25 -11.179  11.483  17.340
  183   1HB   PHE  25           HB2      PHE  25  -9.447  12.490  18.989
  184   2HB   PHE  25           HB1      PHE  25  -8.962  13.502  17.626
  185    HD1  PHE  25           HD1      PHE  25 -10.659  14.982  16.507
  186    HD2  PHE  25           HD2      PHE  25 -11.496  12.884  20.160
  187    HE1  PHE  25           HE1      PHE  25 -12.608  16.461  16.909
  188    HE2  PHE  25           HE2      PHE  25 -13.445  14.365  20.564
  189    HZ   PHE  25           HZ       PHE  25 -14.001  16.153  18.938
  190    H    TYR  26           HN       TYR  26  -8.535  11.273  15.203
  191    HA   TYR  26           HA       TYR  26  -8.249  11.854  12.950
  192   1HB   TYR  26           HB2      TYR  26 -10.588  10.870  12.975
  193   2HB   TYR  26           HB1      TYR  26 -11.206  12.516  13.094
  194    HD1  TYR  26           HD1      TYR  26  -9.089  10.275  10.999
  195    HD2  TYR  26           HD2      TYR  26 -11.412  13.884  11.167
  196    HE1  TYR  26           HE1      TYR  26  -8.884  10.522   8.540
  197    HE2  TYR  26           HE2      TYR  26 -11.205  14.132   8.709
  198    HH   TYR  26           HH       TYR  26  -9.227  13.126   6.922
  199    H    THR  27           HN       THR  27  -7.740  13.897  14.941
  200    HA   THR  27           HA       THR  27  -8.814  16.415  13.896
  201    HB   THR  27           HB       THR  27  -6.633  15.837  15.923
  202    HG1  THR  27           HG1      THR  27  -8.175  15.345  17.236
  203   1HG2  THR  27          HG21      THR  27  -8.250  18.279  15.203
  204   2HG2  THR  27          HG22      THR  27  -6.499  18.125  15.347
  205   3HG2  THR  27          HG23      THR  27  -7.507  18.106  16.793
  206    HA   PRO  28           HA       PRO  28  -5.403  16.420  10.924
  207   1HB   PRO  28           HB2      PRO  28  -5.961  18.847   9.778
  208   2HB   PRO  28           HB1      PRO  28  -6.843  17.362   9.363
  209   1HG   PRO  28           HG2      PRO  28  -7.616  19.557  11.233
  210   2HG   PRO  28           HG1      PRO  28  -8.603  18.701  10.034
  211   1HD   PRO  28           HD2      PRO  28  -8.717  18.110  12.660
  212   2HD   PRO  28           HD1      PRO  28  -8.913  16.866  11.403
  213    H    LYS  29           HN       LYS  29  -3.458  17.842  10.652
  214    HA   LYS  29           HA       LYS  29  -2.469  18.876  13.117
  215   1HB   LYS  29           HB2      LYS  29  -1.652  19.213  10.220
  216   2HB   LYS  29           HB1      LYS  29  -0.672  19.799  11.565
  217   1HG   LYS  29           HG2      LYS  29  -0.572  17.516  12.494
  218   2HG   LYS  29           HG1      LYS  29  -1.547  16.926  11.148
  219   1HD   LYS  29           HD2      LYS  29   0.192  17.661   9.560
  220   2HD   LYS  29           HD1      LYS  29   1.171  18.248  10.905
  221   1HE   LYS  29           HE2      LYS  29   2.096  16.129  10.659
  222   2HE   LYS  29           HE1      LYS  29   0.772  15.730  11.771
  223   1HZ   LYS  29           HZ1      LYS  29   0.691  15.600   8.803
  224   2HZ   LYS  29           HZ2      LYS  29  -0.654  15.361   9.814
  225   3HZ   LYS  29           HZ3      LYS  29   0.657  14.282   9.870
  226    H    THR  30           HN       THR  30  -3.719  20.521  10.226
  227    HA   THR  30           HA       THR  30  -4.656  22.633   9.886
  228    HB   THR  30           HB       THR  30  -4.862  22.588  12.909
  229    HG1  THR  30           HG1      THR  30  -6.089  20.952  12.444
  230   1HG2  THR  30          HG21      THR  30  -5.684  24.493  10.874
  231   2HG2  THR  30          HG22      THR  30  -5.750  24.636  12.630
  232   3HG2  THR  30          HG23      THR  30  -7.073  23.862  11.759
  233    H    ARG  31           HN       ARG  31  -2.601  22.894  12.833
  234    HA   ARG  31           HA       ARG  31  -0.956  24.477  13.408
  235   1HB   ARG  31           HB2      ARG  31  -0.741  24.382  10.387
  236   2HB   ARG  31           HB1      ARG  31   0.399  25.262  11.403
  237   1HG   ARG  31           HG2      ARG  31   0.924  23.178  12.620
  238   2HG   ARG  31           HG1      ARG  31  -0.209  22.297  11.594
  239   1HD   ARG  31           HD2      ARG  31   1.128  22.886   9.596
  240   2HD   ARG  31           HD1      ARG  31   2.274  23.764  10.629
  241    HE   ARG  31           HE       ARG  31   1.718  20.842  10.993
  242   1HH1  ARG  31          HH11      ARG  31   4.026  22.485   9.438
  243   2HH1  ARG  31          HH12      ARG  31   5.344  22.102  10.494
  244   1HH2  ARG  31          HH21      ARG  31   3.316  20.820  12.997
  245   2HH2  ARG  31          HH22      ARG  31   4.943  21.160  12.508
  246    H    ARG  32           HN       ARG  32  -3.730  25.345  12.990
  247    HA   ARG  32           HA       ARG  32  -3.215  28.233  12.566
  248   1HB   ARG  32           HB2      ARG  32  -4.148  27.032  10.520
  249   2HB   ARG  32           HB1      ARG  32  -5.602  26.724  11.472
  250   1HG   ARG  32           HG2      ARG  32  -6.119  28.720  10.335
  251   2HG   ARG  32           HG1      ARG  32  -5.581  29.284  11.918
  252   1HD   ARG  32           HD2      ARG  32  -3.236  29.485  10.914
  253   2HD   ARG  32           HD1      ARG  32  -4.003  29.257   9.331
  254    HE   ARG  32           HE       ARG  32  -5.457  31.248  10.781
  255   1HH1  ARG  32          HH21      ARG  32  -3.379  30.803   8.217
  256   2HH1  ARG  32          HH22      ARG  32  -2.722  32.406   8.228
  257   1HH2  ARG  32          HH11      ARG  32  -4.213  33.281  11.235
  258   2HH2  ARG  32          HH12      ARG  32  -3.195  33.809   9.937
  259    H    TYR  33           HN       TYR  33  -4.146  29.427  14.207
  260    HA   TYR  33           HA       TYR  33  -5.583  28.058  16.345
  261   1HB   TYR  33           HB2      TYR  33  -4.308  30.655  15.787
  262   2HB   TYR  33           HB1      TYR  33  -5.697  30.755  16.867
  263    HD1  TYR  33           HD1      TYR  33  -2.230  30.247  16.768
  264    HD2  TYR  33           HD2      TYR  33  -5.779  28.768  18.684
  265    HE1  TYR  33           HE1      TYR  33  -0.856  29.363  18.635
  266    HE2  TYR  33           HE2      TYR  33  -4.405  27.885  20.550
  267    HH   TYR  33           HH       TYR  33  -0.975  27.702  20.380
  268    HA   PRO  34           HA       PRO  34  -9.234  30.859  15.053
  269   1HB   PRO  34           HB2      PRO  34  -9.135  32.131  12.631
  270   2HB   PRO  34           HB1      PRO  34  -8.563  32.868  14.142
  271   1HG   PRO  34           HG2      PRO  34  -7.010  31.556  11.972
  272   2HG   PRO  34           HG1      PRO  34  -6.631  33.011  12.904
  273   1HD   PRO  34           HD2      PRO  34  -5.500  30.603  13.396
  274   2HD   PRO  34           HD1      PRO  34  -5.771  31.814  14.665
  275    H    GLY  35           HN       GLY  35 -10.780  30.885  12.816
  276   1HA   GLY  35           HA2      GLY  35 -11.095  28.059  12.219
  277   2HA   GLY  35           HA1      GLY  35 -12.097  29.365  11.590
  278    H    ASP  36           HN       ASP  36 -11.055  30.715   9.822
  279    HA   ASP  36           HA       ASP  36 -10.142  30.775   7.646
  280   1HB   ASP  36           HB2      ASP  36  -8.060  29.293   9.267
  281   2HB   ASP  36           HB1      ASP  36  -7.778  29.815   7.605
  282    H    VAL  37           HN       VAL  37 -12.112  28.980   7.608
  283    HA   VAL  37           HA       VAL  37 -12.936  27.075   6.493
  284    HB   VAL  37           HB       VAL  37 -10.201  27.238   5.172
  285   1HG1  VAL  37          HG11      VAL  37 -12.816  25.936   4.408
  286   2HG1  VAL  37          HG12      VAL  37 -11.222  25.190   4.530
  287   3HG1  VAL  37          HG13      VAL  37 -11.572  26.312   3.215
  288   1HG2  VAL  37          HG21      VAL  37 -11.846  28.441   3.423
  289   2HG2  VAL  37          HG22      VAL  37 -11.014  29.341   4.691
  290   3HG2  VAL  37          HG23      VAL  37 -12.695  28.855   4.913
  291    H    LYS  38           HN       LYS  38 -12.450  24.666   6.145
  292    HA   LYS  38           HA       LYS  38 -10.324  23.589   7.930
  293   1HB   LYS  38           HB2      LYS  38 -13.317  23.149   8.173
  294   2HB   LYS  38           HB1      LYS  38 -12.127  22.122   8.970
  295   1HG   LYS  38           HG2      LYS  38 -11.208  24.088  10.144
  296   2HG   LYS  38           HG1      LYS  38 -12.401  25.117   9.351
  297   1HD   LYS  38           HD2      LYS  38 -14.222  23.826  10.401
  298   2HD   LYS  38           HD1      LYS  38 -13.031  22.798  11.199
  299   1HE   LYS  38           HE2      LYS  38 -12.072  24.928  12.243
  300   2HE   LYS  38           HE1      LYS  38 -13.534  25.750  11.664
  301   1HZ   LYS  38           HZ1      LYS  38 -14.908  24.325  12.891
  302   2HZ   LYS  38           HZ2      LYS  38 -13.654  24.720  13.966
  303   3HZ   LYS  38           HZ3      LYS  38 -13.663  23.211  13.186
  304    H    ARG  39           HN       ARG  39 -10.796  20.962   7.812
  305    HA   ARG  39           HA       ARG  39 -10.653  19.059   6.471
  306   1HB   ARG  39           HB2      ARG  39 -12.476  20.731   4.701
  307   2HB   ARG  39           HB1      ARG  39 -12.219  19.000   4.552
  308   1HG   ARG  39           HG2      ARG  39 -13.129  18.659   6.816
  309   2HG   ARG  39           HG1      ARG  39 -13.386  20.400   6.974
  310   1HD   ARG  39           HD2      ARG  39 -14.832  20.293   4.898
  311   2HD   ARG  39           HD1      ARG  39 -14.718  18.526   4.993
  312    HE   ARG  39           HE       ARG  39 -15.462  19.315   7.560
  313   1HH1  ARG  39          HH21      ARG  39 -17.051  17.865   5.251
  314   2HH1  ARG  39          HH22      ARG  39 -18.527  18.770   5.316
  315   1HH2  ARG  39          HH11      ARG  39 -17.190  21.313   7.259
  316   2HH2  ARG  39          HH12      ARG  39 -18.605  20.723   6.453
  317    H    GLY  40           HN       GLY  40  -8.614  21.132   6.226
  318   1HA   GLY  40           HA2      GLY  40  -7.992  21.742   3.500
  319   2HA   GLY  40           HA1      GLY  40  -6.804  21.652   4.806
  320    H    ILE  41           HN       ILE  41  -6.862  19.104   5.608
  321    HA   ILE  41           HA       ILE  41  -5.553  17.633   3.461
  322    HB   ILE  41           HB       ILE  41  -6.477  16.874   6.258
  323   1HG1  ILE  41          HG12      ILE  41  -3.715  17.664   5.288
  324   2HG1  ILE  41          HG11      ILE  41  -4.841  18.798   6.034
  325   1HG2  ILE  41          HG21      ILE  41  -5.067  14.965   6.111
  326   2HG2  ILE  41          HG22      ILE  41  -4.302  15.546   4.632
  327   3HG2  ILE  41          HG23      ILE  41  -5.971  14.977   4.597
  328   1HD1  ILE  41          HD11      ILE  41  -4.505  16.306   7.564
  329   2HD1  ILE  41          HD12      ILE  41  -4.462  17.980   8.116
  330   3HD1  ILE  41          HD13      ILE  41  -3.022  17.248   7.410
  331    H    VAL  42           HN       VAL  42  -8.660  17.442   5.158
  332    HA   VAL  42           HA       VAL  42  -9.651  15.041   3.965
  333    HB   VAL  42           HB       VAL  42 -11.045  17.480   5.049
  334   1HG1  VAL  42          HG11      VAL  42 -13.043  16.422   4.863
  335   2HG1  VAL  42          HG12      VAL  42 -12.361  14.867   5.338
  336   3HG1  VAL  42          HG13      VAL  42 -12.232  15.412   3.667
  337   1HG2  VAL  42          HG21      VAL  42  -9.758  15.087   6.270
  338   2HG2  VAL  42          HG22      VAL  42 -11.243  15.679   7.014
  339   3HG2  VAL  42          HG23      VAL  42  -9.844  16.743   6.871
  340    H    GLU  43           HN       GLU  43 -10.043  18.459   3.028
  341    HA   GLU  43           HA       GLU  43 -11.829  18.080   0.852
  342   1HB   GLU  43           HB2      GLU  43  -9.722  20.113   1.547
  343   2HB   GLU  43           HB1      GLU  43 -10.653  20.262   0.059
  344   1HG   GLU  43           HG2      GLU  43 -12.731  20.346   1.271
  345   2HG   GLU  43           HG1      GLU  43 -11.932  19.937   2.784
  346    H    GLN  44           HN       GLN  44  -8.279  17.817   0.930
  347    HA   GLN  44           HA       GLN  44  -7.796  17.774  -1.874
  348   1HB   GLN  44           HB2      GLN  44  -6.427  16.474   0.493
  349   2HB   GLN  44           HB1      GLN  44  -5.737  16.475  -1.132
  350   1HG   GLN  44           HG2      GLN  44  -5.817  18.938  -1.174
  351   2HG   GLN  44           HG1      GLN  44  -6.514  18.946   0.446
  352   1HE2  GLN  44          HE21      GLN  44  -3.987  20.206  -0.172
  353   2HE2  GLN  44          HE22      GLN  44  -2.770  19.371   0.666
  354    H    CYS  45           HN       CYS  45  -8.671  15.094   0.338
  355    HA   CYS  45           HA       CYS  45  -8.499  13.080  -1.769
  356   1HB   CYS  45           HB2      CYS  45  -9.621  13.186   1.040
  357   2HB   CYS  45           HB1      CYS  45  -9.736  11.735   0.048
  358    H    CYS  46           HN       CYS  46 -10.951  15.301  -0.620
  359    HA   CYS  46           HA       CYS  46 -13.254  13.900  -1.683
  360   1HB   CYS  46           HB2      CYS  46 -12.560  16.661  -0.733
  361   2HB   CYS  46           HB1      CYS  46 -14.083  16.420  -1.590
  362    H    THR  47           HN       THR  47 -11.228  16.581  -2.922
  363    HA   THR  47           HA       THR  47 -12.574  16.690  -5.503
  364    HB   THR  47           HB       THR  47  -9.880  17.745  -4.574
  365    HG1  THR  47           HG1      THR  47 -11.407  18.638  -3.295
  366   1HG2  THR  47          HG21      THR  47 -10.410  17.639  -7.090
  367   2HG2  THR  47          HG22      THR  47  -9.959  19.214  -6.436
  368   3HG2  THR  47          HG23      THR  47 -11.654  18.844  -6.755
  369    H    SER  48           HN       SER  48  -9.556  15.243  -4.282
  370    HA   SER  48           HA       SER  48  -9.217  13.831  -6.911
  371   1HB   SER  48           HB2      SER  48  -7.206  14.468  -4.726
  372   2HB   SER  48           HB1      SER  48  -6.841  13.772  -6.302
  373    HG   SER  48           HG       SER  48  -6.499  16.000  -6.346
  374    H    ILE  49           HN       ILE  49  -9.192  11.580  -6.855
  375    HA   ILE  49           HA       ILE  49 -10.208  10.204  -4.532
  376    HB   ILE  49           HB       ILE  49  -8.873   9.195  -7.071
  377   1HG1  ILE  49          HG12      ILE  49 -11.823   9.495  -6.425
  378   2HG1  ILE  49          HG11      ILE  49 -10.900  10.699  -7.322
  379   1HG2  ILE  49          HG21      ILE  49 -10.078   7.840  -4.743
  380   2HG2  ILE  49          HG22      ILE  49  -9.002   7.200  -5.983
  381   3HG2  ILE  49          HG23      ILE  49 -10.733   7.313  -6.292
  382   1HD1  ILE  49          HD11      ILE  49 -10.362   9.063  -9.051
  383   2HD1  ILE  49          HD12      ILE  49 -12.110   9.115  -8.822
  384   3HD1  ILE  49          HD13      ILE  49 -11.170   7.790  -8.137
  385    H    CYS  50           HN       CYS  50  -9.064   9.616  -2.761
  386    HA   CYS  50           HA       CYS  50  -6.103   9.518  -2.849
  387   1HB   CYS  50           HB2      CYS  50  -8.275   9.632  -0.772
  388   2HB   CYS  50           HB1      CYS  50  -6.666   9.086  -0.296
  389    H    SER  51           HN       SER  51  -4.934   7.605  -2.268
  390    HA   SER  51           HA       SER  51  -6.198   5.105  -3.078
  391   1HB   SER  51           HB2      SER  51  -3.966   4.279  -2.963
  392   2HB   SER  51           HB1      SER  51  -3.804   5.960  -3.458
  393    HG   SER  51           HG       SER  51  -3.564   6.395  -1.132
  394    H    LEU  52           HN       LEU  52  -6.213   3.168  -1.758
  395    HA   LEU  52           HA       LEU  52  -7.446   3.403   0.785
  396   1HB   LEU  52           HB2      LEU  52  -7.582   1.469  -0.761
  397   2HB   LEU  52           HB1      LEU  52  -5.883   1.113  -0.454
  398    HG   LEU  52           HG       LEU  52  -6.517   0.957   2.023
  399   1HD1  LEU  52          HD11      LEU  52  -9.295   0.656   0.850
  400   2HD1  LEU  52          HD12      LEU  52  -8.735   2.114   1.670
  401   3HD1  LEU  52          HD13      LEU  52  -8.845   0.592   2.554
  402   1HD2  LEU  52          HD21      LEU  52  -7.584  -1.352   1.648
  403   2HD2  LEU  52          HD22      LEU  52  -6.027  -1.071   0.870
  404   3HD2  LEU  52          HD23      LEU  52  -7.513  -0.982  -0.075
  405    H    TYR  53           HN       TYR  53  -4.072   3.030  -0.146
  406    HA   TYR  53           HA       TYR  53  -2.907   2.309   2.339
  407   1HB   TYR  53           HB2      TYR  53  -1.819   2.286   0.125
  408   2HB   TYR  53           HB1      TYR  53  -1.862   4.042   0.106
  409    HD1  TYR  53           HD1      TYR  53  -0.475   5.363   1.687
  410    HD2  TYR  53           HD2      TYR  53  -0.211   1.082   1.456
  411    HE1  TYR  53           HE1      TYR  53   1.682   5.430   2.910
  412    HE2  TYR  53           HE2      TYR  53   1.944   1.148   2.682
  413    HH   TYR  53           HH       TYR  53   2.966   3.199   4.490
  414    H    GLN  54           HN       GLN  54  -3.680   5.527   1.016
  415    HA   GLN  54           HA       GLN  54  -2.473   7.080   3.111
  416   1HB   GLN  54           HB2      GLN  54  -4.754   7.554   1.170
  417   2HB   GLN  54           HB1      GLN  54  -4.101   8.822   2.210
  418   1HG   GLN  54           HG2      GLN  54  -1.919   8.626   1.205
  419   2HG   GLN  54           HG1      GLN  54  -2.401   7.182   0.314
  420   1HE2  GLN  54          HE21      GLN  54  -1.440   9.768  -0.825
  421   2HE2  GLN  54          HE22      GLN  54  -2.691  10.327  -1.827
  422    H    LEU  55           HN       LEU  55  -5.752   5.731   2.709
  423    HA   LEU  55           HA       LEU  55  -6.992   6.927   4.987
  424   1HB   LEU  55           HB2      LEU  55  -7.354   4.254   3.594
  425   2HB   LEU  55           HB1      LEU  55  -8.486   4.894   4.784
  426    HG   LEU  55           HG       LEU  55  -7.690   6.343   2.245
  427   1HD1  LEU  55          HD11      LEU  55  -8.969   4.237   1.821
  428   2HD1  LEU  55          HD12      LEU  55  -9.871   5.685   1.375
  429   3HD1  LEU  55          HD13      LEU  55 -10.248   4.840   2.876
  430   1HD2  LEU  55          HD21      LEU  55  -8.423   7.943   3.831
  431   2HD2  LEU  55          HD22      LEU  55  -9.652   6.859   4.482
  432   3HD2  LEU  55          HD23      LEU  55  -9.870   7.585   2.889
  433    H    GLU  56           HN       GLU  56  -5.088   3.975   4.604
  434    HA   GLU  56           HA       GLU  56  -5.338   2.913   7.241
  435   1HB   GLU  56           HB2      GLU  56  -3.162   2.801   5.130
  436   2HB   GLU  56           HB1      GLU  56  -3.142   1.808   6.589
  437   1HG   GLU  56           HG2      GLU  56  -5.335   0.854   5.975
  438   2HG   GLU  56           HG1      GLU  56  -5.357   1.843   4.517
  439    H    ASN  57           HN       ASN  57  -3.106   5.302   5.850
  440    HA   ASN  57           HA       ASN  57  -1.295   5.558   8.032
  441   1HB   ASN  57           HB2      ASN  57  -1.129   6.495   5.686
  442   2HB   ASN  57           HB1      ASN  57  -2.287   7.735   6.165
  443   1HD2  ASN  57          HD21      ASN  57  -1.234   9.642   6.728
  444   2HD2  ASN  57          HD22      ASN  57   0.266   9.733   7.518
  445    H    TYR  58           HN       TYR  58  -4.308   7.396   7.344
  446    HA   TYR  58           HA       TYR  58  -4.209   9.114   9.623
  447   1HB   TYR  58           HB2      TYR  58  -6.535   7.918   8.089
  448   2HB   TYR  58           HB1      TYR  58  -6.680   9.250   9.234
  449    HD1  TYR  58           HD1      TYR  58  -4.562  11.047   8.776
  450    HD2  TYR  58           HD2      TYR  58  -6.624   8.636   5.884
  451    HE1  TYR  58           HE1      TYR  58  -3.940  12.654   6.991
  452    HE2  TYR  58           HE2      TYR  58  -6.000  10.238   4.099
  453    HH   TYR  58           HH       TYR  58  -3.628  12.520   4.425
  454    H    CYS  59           HN       CYS  59  -5.320   5.774   9.279
  455    HA   CYS  59           HA       CYS  59  -6.448   5.726  12.010
  456   1HB   CYS  59           HB2      CYS  59  -7.221   4.559   9.769
  457   2HB   CYS  59           HB1      CYS  59  -6.039   3.336  10.237
  458    H    ASN  60           HN       ASN  60  -3.934   6.364  12.492
  459    HA   ASN  60           HA       ASN  60  -2.031   4.175  12.579
  460   1HB   ASN  60           HB2      ASN  60  -2.308   6.891  13.870
  461   2HB   ASN  60           HB1      ASN  60  -0.960   5.829  14.276
  462   1HD2  ASN  60          HD21      ASN  60  -0.594   8.349  12.902
  463   2HD2  ASN  60          HD22      ASN  60  -0.013   8.010  11.344
  Start of MODEL   18
    1   1H    PHE   1           HT1      PHE   1 -19.528  -4.256  -7.767
    2   2H    PHE   1           HT2      PHE   1 -20.167  -2.790  -8.342
    3   3H    PHE   1           HT3      PHE   1 -20.608  -3.368  -6.807
    4    HA   PHE   1           HA       PHE   1 -18.476  -2.933  -5.902
    5   1HB   PHE   1           HB2      PHE   1 -17.327  -3.885  -7.887
    6   2HB   PHE   1           HB1      PHE   1 -17.724  -2.434  -8.805
    7    HD1  PHE   1           HD1      PHE   1 -15.641  -3.840  -6.116
    8    HD2  PHE   1           HD2      PHE   1 -16.630  -0.298  -8.335
    9    HE1  PHE   1           HE1      PHE   1 -13.617  -2.718  -5.227
   10    HE2  PHE   1           HE2      PHE   1 -14.605   0.824  -7.448
   11    HZ   PHE   1           HZ       PHE   1 -13.098  -0.386  -5.894
   12    H    VAL   2           HN       VAL   2 -18.496  -0.921  -4.931
   13    HA   VAL   2           HA       VAL   2 -19.344   1.416  -6.542
   14    HB   VAL   2           HB       VAL   2 -20.616   2.116  -4.528
   15   1HG1  VAL   2          HG11      VAL   2 -22.392   0.404  -4.718
   16   2HG1  VAL   2          HG12      VAL   2 -21.255  -0.672  -5.530
   17   3HG1  VAL   2          HG13      VAL   2 -21.745   0.838  -6.300
   18   1HG2  VAL   2          HG21      VAL   2 -19.195   0.874  -2.884
   19   2HG2  VAL   2          HG22      VAL   2 -19.892  -0.633  -3.477
   20   3HG2  VAL   2          HG23      VAL   2 -20.917   0.556  -2.675
   21    H    ASN   3           HN       ASN   3 -18.583   3.482  -5.666
   22    HA   ASN   3           HA       ASN   3 -16.440   3.447  -3.629
   23   1HB   ASN   3           HB2      ASN   3 -15.413   2.726  -5.790
   24   2HB   ASN   3           HB1      ASN   3 -15.980   4.220  -6.534
   25   1HD2  ASN   3          HD21      ASN   3 -13.164   3.050  -5.668
   26   2HD2  ASN   3          HD22      ASN   3 -12.432   4.387  -4.920
   27    H    GLN   4           HN       GLN   4 -17.991   4.888  -2.605
   28    HA   GLN   4           HA       GLN   4 -18.817   7.367  -3.937
   29   1HB   GLN   4           HB2      GLN   4 -19.079   6.353  -1.092
   30   2HB   GLN   4           HB1      GLN   4 -19.944   7.734  -1.763
   31   1HG   GLN   4           HG2      GLN   4 -21.002   6.266  -3.442
   32   2HG   GLN   4           HG1      GLN   4 -20.142   4.877  -2.773
   33   1HE2  GLN   4          HE21      GLN   4 -22.019   3.759  -1.974
   34   2HE2  GLN   4          HE22      GLN   4 -22.985   4.375  -0.722
   35    H    HIS   5           HN       HIS   5 -18.480   9.469  -2.760
   36    HA   HIS   5           HA       HIS   5 -15.635   9.978  -2.344
   37   1HB   HIS   5           HB2      HIS   5 -18.175  11.626  -2.137
   38   2HB   HIS   5           HB1      HIS   5 -16.559  12.311  -1.968
   39    HD1  HIS   5           HD1      HIS   5 -15.333  12.875  -4.094
   40    HD2  HIS   5           HD2      HIS   5 -18.605  10.388  -4.789
   41    HE1  HIS   5           HE1      HIS   5 -15.567  12.686  -6.608
   42    H    LEU   6           HN       LEU   6 -14.598  10.322  -0.368
   43    HA   LEU   6           HA       LEU   6 -15.947   9.484   2.081
   44   1HB   LEU   6           HB2      LEU   6 -13.179  10.464   1.342
   45   2HB   LEU   6           HB1      LEU   6 -13.614  10.026   2.994
   46    HG   LEU   6           HG       LEU   6 -14.056   8.139   0.677
   47   1HD1  LEU   6          HD11      LEU   6 -11.579   9.003   1.219
   48   2HD1  LEU   6          HD12      LEU   6 -11.904   7.313   0.833
   49   3HD1  LEU   6          HD13      LEU   6 -11.723   7.815   2.514
   50   1HD2  LEU   6          HD21      LEU   6 -15.153   7.917   3.026
   51   2HD2  LEU   6          HD22      LEU   6 -13.534   7.486   3.576
   52   3HD2  LEU   6          HD23      LEU   6 -14.342   6.503   2.355
   53    H    CYS   7           HN       CYS   7 -17.566  11.309   2.089
   54    HA   CYS   7           HA       CYS   7 -16.469  13.665   3.530
   55   1HB   CYS   7           HB2      CYS   7 -16.693  13.792   0.860
   56   2HB   CYS   7           HB1      CYS   7 -18.360  14.187   1.278
   57    H    GLY   8           HN       GLY   8 -18.382  15.110   4.232
   58   1HA   GLY   8           HA2      GLY   8 -20.342  15.305   5.494
   59   2HA   GLY   8           HA1      GLY   8 -21.078  14.338   4.215
   60    H    SER   9           HN       SER   9 -22.253  12.790   5.312
   61    HA   SER   9           HA       SER   9 -21.502  11.686   7.880
   62   1HB   SER   9           HB2      SER   9 -23.813  11.863   7.077
   63   2HB   SER   9           HB1      SER   9 -23.449  10.787   5.732
   64    HG   SER   9           HG       SER   9 -24.386  10.003   7.928
   65    H    HIS  10           HN       HIS  10 -21.027  10.661   4.542
   66    HA   HIS  10           HA       HIS  10 -20.268   7.950   4.978
   67   1HB   HIS  10           HB2      HIS  10 -19.565  10.020   2.885
   68   2HB   HIS  10           HB1      HIS  10 -19.080   8.330   2.750
   69    HD1  HIS  10           HD1      HIS  10 -20.910   6.590   2.244
   70    HD2  HIS  10           HD2      HIS  10 -22.396  10.465   2.641
   71    HE1  HIS  10           HE1      HIS  10 -23.301   6.528   1.412
   72    H    LEU  11           HN       LEU  11 -18.300  10.936   5.026
   73    HA   LEU  11           HA       LEU  11 -15.734   9.715   5.162
   74   1HB   LEU  11           HB2      LEU  11 -16.150  12.109   4.765
   75   2HB   LEU  11           HB1      LEU  11 -16.759  12.289   6.409
   76    HG   LEU  11           HG       LEU  11 -14.507  11.472   7.233
   77   1HD1  LEU  11          HD11      LEU  11 -12.645  11.396   5.727
   78   2HD1  LEU  11          HD12      LEU  11 -13.604  12.054   4.405
   79   3HD1  LEU  11          HD13      LEU  11 -13.914  10.422   4.990
   80   1HD2  LEU  11          HD21      LEU  11 -15.300  13.954   6.797
   81   2HD2  LEU  11          HD22      LEU  11 -14.069  13.907   5.535
   82   3HD2  LEU  11          HD23      LEU  11 -13.620  13.624   7.217
   83    H    VAL  12           HN       VAL  12 -17.837  10.777   7.885
   84    HA   VAL  12           HA       VAL  12 -16.100   9.879   9.973
   85    HB   VAL  12           HB       VAL  12 -19.120  10.178   9.816
   86   1HG1  VAL  12          HG11      VAL  12 -17.261   9.561  12.076
   87   2HG1  VAL  12          HG12      VAL  12 -18.917   9.019  11.807
   88   3HG1  VAL  12          HG13      VAL  12 -18.608  10.654  12.392
   89   1HG2  VAL  12          HG21      VAL  12 -18.475  12.344  11.082
   90   2HG2  VAL  12          HG22      VAL  12 -18.163  12.287   9.347
   91   3HG2  VAL  12          HG23      VAL  12 -16.842  12.039  10.489
   92    H    GLU  13           HN       GLU  13 -18.888   8.292   8.432
   93    HA   GLU  13           HA       GLU  13 -18.868   5.882   9.907
   94   1HB   GLU  13           HB2      GLU  13 -20.629   6.783   8.367
   95   2HB   GLU  13           HB1      GLU  13 -19.621   6.289   7.007
   96   1HG   GLU  13           HG2      GLU  13 -19.693   3.954   7.788
   97   2HG   GLU  13           HG1      GLU  13 -20.686   4.438   9.160
   98    H    ALA  14           HN       ALA  14 -17.369   6.466   6.699
   99    HA   ALA  14           HA       ALA  14 -16.240   3.871   6.411
  100   1HB   ALA  14           HB1      ALA  14 -15.380   4.752   4.471
  101   2HB   ALA  14           HB2      ALA  14 -14.847   6.236   5.260
  102   3HB   ALA  14           HB3      ALA  14 -16.547   6.021   4.840
  103    H    LEU  15           HN       LEU  15 -14.698   6.893   7.578
  104    HA   LEU  15           HA       LEU  15 -12.115   5.816   8.049
  105   1HB   LEU  15           HB2      LEU  15 -13.764   8.111   9.020
  106   2HB   LEU  15           HB1      LEU  15 -12.255   7.773   9.860
  107    HG   LEU  15           HG       LEU  15 -12.064   9.430   7.969
  108   1HD1  LEU  15          HD11      LEU  15 -10.018   8.503   8.605
  109   2HD1  LEU  15          HD12      LEU  15 -10.083   8.118   6.886
  110   3HD1  LEU  15          HD13      LEU  15 -10.474   6.884   8.082
  111   1HD2  LEU  15          HD21      LEU  15 -12.008   8.531   5.662
  112   2HD2  LEU  15          HD22      LEU  15 -13.612   8.381   6.374
  113   3HD2  LEU  15          HD23      LEU  15 -12.562   6.970   6.265
  114    H    TYR  16           HN       TYR  16 -14.851   6.147  10.358
  115    HA   TYR  16           HA       TYR  16 -13.521   5.030  12.616
  116   1HB   TYR  16           HB2      TYR  16 -15.659   6.260  12.680
  117   2HB   TYR  16           HB1      TYR  16 -16.450   4.946  11.808
  118    HD1  TYR  16           HD1      TYR  16 -14.969   5.986  15.022
  119    HD2  TYR  16           HD2      TYR  16 -16.893   2.799  12.880
  120    HE1  TYR  16           HE1      TYR  16 -15.349   4.778  17.156
  121    HE2  TYR  16           HE2      TYR  16 -17.273   1.593  15.012
  122    HH   TYR  16           HH       TYR  16 -17.027   3.009  17.996
  123    H    LEU  17           HN       LEU  17 -15.587   3.412  10.175
  124    HA   LEU  17           HA       LEU  17 -15.426   0.798  11.248
  125   1HB   LEU  17           HB2      LEU  17 -15.776   1.876   8.470
  126   2HB   LEU  17           HB1      LEU  17 -15.993   0.174   8.861
  127    HG   LEU  17           HG       LEU  17 -17.480   2.449  10.205
  128   1HD1  LEU  17          HD11      LEU  17 -18.400   2.421   8.059
  129   2HD1  LEU  17          HD12      LEU  17 -19.422   1.255   8.901
  130   3HD1  LEU  17          HD13      LEU  17 -18.119   0.693   7.854
  131   1HD2  LEU  17          HD21      LEU  17 -17.469   0.652  11.724
  132   2HD2  LEU  17          HD22      LEU  17 -17.513  -0.556  10.440
  133   3HD2  LEU  17          HD23      LEU  17 -18.959   0.380  10.820
  134    H    VAL  18           HN       VAL  18 -13.321   2.429   8.872
  135    HA   VAL  18           HA       VAL  18 -11.615   0.150   8.386
  136    HB   VAL  18           HB       VAL  18 -11.321   3.122   8.010
  137   1HG1  VAL  18          HG11      VAL  18  -9.428   0.893   7.460
  138   2HG1  VAL  18          HG12      VAL  18  -9.092   2.585   7.823
  139   3HG1  VAL  18          HG13      VAL  18  -9.602   2.117   6.201
  140   1HG2  VAL  18          HG21      VAL  18 -13.113   2.017   6.718
  141   2HG2  VAL  18          HG22      VAL  18 -11.933   0.874   6.078
  142   3HG2  VAL  18          HG23      VAL  18 -11.820   2.584   5.662
  143    H    CYS  19           HN       CYS  19 -11.171   3.076  10.382
  144    HA   CYS  19           HA       CYS  19  -8.645   2.244  11.501
  145   1HB   CYS  19           HB2      CYS  19 -10.744   4.274  12.200
  146   2HB   CYS  19           HB1      CYS  19  -9.262   4.121  13.139
  147    H    GLY  20           HN       GLY  20 -12.008   1.919  12.529
  148   1HA   GLY  20           HA2      GLY  20 -12.873   0.194  13.910
  149   2HA   GLY  20           HA1      GLY  20 -11.230  -0.202  14.387
  150    H    GLU  21           HN       GLU  21 -10.835   2.824  14.972
  151    HA   GLU  21           HA       GLU  21 -12.619   3.344  17.206
  152   1HB   GLU  21           HB2      GLU  21 -11.160   1.493  18.006
  153   2HB   GLU  21           HB1      GLU  21  -9.750   2.511  17.715
  154   1HG   GLU  21           HG2      GLU  21 -10.527   4.137  19.353
  155   2HG   GLU  21           HG1      GLU  21 -12.030   3.246  19.574
  156    H    ARG  22           HN       ARG  22 -11.882   5.312  18.436
  157    HA   ARG  22           HA       ARG  22 -10.687   7.269  16.594
  158   1HB   ARG  22           HB2      ARG  22 -12.143   7.402  19.243
  159   2HB   ARG  22           HB1      ARG  22 -11.545   8.831  18.399
  160   1HG   ARG  22           HG2      ARG  22 -12.894   8.207  16.413
  161   2HG   ARG  22           HG1      ARG  22 -13.518   6.812  17.292
  162   1HD   ARG  22           HD2      ARG  22 -15.106   8.730  17.387
  163   2HD   ARG  22           HD1      ARG  22 -14.492   8.330  19.004
  164    HE   ARG  22           HE       ARG  22 -13.203  10.336  18.974
  165   1HH1  ARG  22          HH11      ARG  22 -15.608  10.682  16.806
  166   2HH1  ARG  22          HH12      ARG  22 -14.775  11.737  15.714
  167   1HH2  ARG  22          HH21      ARG  22 -11.673  11.243  17.182
  168   2HH2  ARG  22          HH22      ARG  22 -12.548  12.055  15.926
  169    H    GLY  23           HN       GLY  23  -9.159   5.148  18.352
  170   1HA   GLY  23           HA2      GLY  23  -7.682   6.608  20.321
  171   2HA   GLY  23           HA1      GLY  23  -7.191   5.074  19.606
  172    H    PHE  24           HN       PHE  24  -7.376   6.370  16.831
  173    HA   PHE  24           HA       PHE  24  -4.599   7.201  16.714
  174   1HB   PHE  24           HB2      PHE  24  -5.018   7.344  14.339
  175   2HB   PHE  24           HB1      PHE  24  -5.928   5.965  14.943
  176    HD1  PHE  24           HD1      PHE  24  -6.123   9.372  13.611
  177    HD2  PHE  24           HD2      PHE  24  -8.388   6.038  15.079
  178    HE1  PHE  24           HE1      PHE  24  -8.193  10.376  12.681
  179    HE2  PHE  24           HE2      PHE  24 -10.461   7.037  14.151
  180    HZ   PHE  24           HZ       PHE  24 -10.364   9.206  12.950
  181    H    PHE  25           HN       PHE  25  -3.815   9.209  17.001
  182    HA   PHE  25           HA       PHE  25  -5.468  11.404  17.813
  183   1HB   PHE  25           HB2      PHE  25  -2.596  10.817  17.329
  184   2HB   PHE  25           HB1      PHE  25  -3.057  12.517  17.386
  185    HD1  PHE  25           HD1      PHE  25  -3.741   9.327  19.255
  186    HD2  PHE  25           HD2      PHE  25  -3.057  13.562  19.458
  187    HE1  PHE  25           HE1      PHE  25  -3.834   9.225  21.731
  188    HE2  PHE  25           HE2      PHE  25  -3.150  13.461  21.933
  189    HZ   PHE  25           HZ       PHE  25  -3.538  11.292  23.070
  190    H    TYR  26           HN       TYR  26  -3.728  10.756  14.747
  191    HA   TYR  26           HA       TYR  26  -3.828  11.874  12.657
  192   1HB   TYR  26           HB2      TYR  26  -6.288  11.242  13.129
  193   2HB   TYR  26           HB1      TYR  26  -6.502  12.913  13.646
  194    HD1  TYR  26           HD1      TYR  26  -5.692  10.709  10.788
  195    HD2  TYR  26           HD2      TYR  26  -6.474  14.747  12.035
  196    HE1  TYR  26           HE1      TYR  26  -5.903  11.400   8.419
  197    HE2  TYR  26           HE2      TYR  26  -6.678  15.440   9.665
  198    HH   TYR  26           HH       TYR  26  -6.278  13.103   6.994
  199    H    THR  27           HN       THR  27  -2.358  13.174  14.588
  200    HA   THR  27           HA       THR  27  -3.224  15.901  15.037
  201    HB   THR  27           HB       THR  27  -0.744  16.021  15.793
  202    HG1  THR  27           HG1      THR  27   0.335  14.141  15.794
  203   1HG2  THR  27          HG21      THR  27  -2.993  14.425  16.886
  204   2HG2  THR  27          HG22      THR  27  -2.099  15.758  17.616
  205   3HG2  THR  27          HG23      THR  27  -1.413  14.135  17.612
  206    HA   PRO  28           HA       PRO  28  -1.425  17.074  11.068
  207   1HB   PRO  28           HB2      PRO  28  -3.158  19.137  10.575
  208   2HB   PRO  28           HB1      PRO  28  -3.563  17.438  10.269
  209   1HG   PRO  28           HG2      PRO  28  -4.619  19.234  12.288
  210   2HG   PRO  28           HG1      PRO  28  -5.196  17.637  11.797
  211   1HD   PRO  28           HD2      PRO  28  -3.565  18.370  14.095
  212   2HD   PRO  28           HD1      PRO  28  -4.394  16.839  13.746
  213    H    LYS  29           HN       LYS  29  -0.985  19.566  10.265
  214    HA   LYS  29           HA       LYS  29   0.975  20.662  12.026
  215   1HB   LYS  29           HB2      LYS  29   0.677  20.843   9.471
  216   2HB   LYS  29           HB1      LYS  29  -0.489  22.122   9.814
  217   1HG   LYS  29           HG2      LYS  29   1.203  23.423  10.979
  218   2HG   LYS  29           HG1      LYS  29   2.375  22.114  10.805
  219   1HD   LYS  29           HD2      LYS  29   1.052  23.331   8.384
  220   2HD   LYS  29           HD1      LYS  29   2.478  24.078   9.102
  221   1HE   LYS  29           HE2      LYS  29   3.684  21.882   8.882
  222   2HE   LYS  29           HE1      LYS  29   2.271  21.243   8.020
  223   1HZ   LYS  29           HZ1      LYS  29   4.175  23.319   7.186
  224   2HZ   LYS  29           HZ2      LYS  29   2.564  23.468   6.665
  225   3HZ   LYS  29           HZ3      LYS  29   3.463  22.084   6.270
  226    H    THR  30           HN       THR  30  -2.412  21.441  11.428
  227    HA   THR  30           HA       THR  30  -3.937  22.826  12.551
  228    HB   THR  30           HB       THR  30  -1.971  22.363  14.811
  229    HG1  THR  30           HG1      THR  30  -4.236  20.819  14.115
  230   1HG2  THR  30          HG21      THR  30  -3.496  23.338  16.155
  231   2HG2  THR  30          HG22      THR  30  -4.791  22.347  15.486
  232   3HG2  THR  30          HG23      THR  30  -4.352  23.866  14.706
  233    H    ARG  31           HN       ARG  31  -2.366  24.427  11.018
  234    HA   ARG  31           HA       ARG  31  -0.927  26.454  12.493
  235   1HB   ARG  31           HB2      ARG  31  -2.200  26.387   9.731
  236   2HB   ARG  31           HB1      ARG  31  -1.127  27.669  10.295
  237   1HG   ARG  31           HG2      ARG  31   0.666  26.004  10.665
  238   2HG   ARG  31           HG1      ARG  31  -0.404  24.732  10.081
  239   1HD   ARG  31           HD2      ARG  31   1.066  25.450   8.246
  240   2HD   ARG  31           HD1      ARG  31  -0.594  25.973   7.892
  241    HE   ARG  31           HE       ARG  31   0.036  28.231   8.403
  242   1HH1  ARG  31          HH11      ARG  31   1.772  27.620  10.796
  243   2HH1  ARG  31          HH12      ARG  31   3.339  28.066  10.213
  244   1HH2  ARG  31          HH21      ARG  31   2.392  28.116   6.882
  245   2HH2  ARG  31          HH22      ARG  31   3.689  28.351   8.006
  246    H    ARG  32           HN       ARG  32  -4.245  25.976  11.407
  247    HA   ARG  32           HA       ARG  32  -5.143  28.214  13.138
  248   1HB   ARG  32           HB2      ARG  32  -5.958  27.683  10.265
  249   2HB   ARG  32           HB1      ARG  32  -6.637  28.943  11.292
  250   1HG   ARG  32           HG2      ARG  32  -4.323  29.904  11.523
  251   2HG   ARG  32           HG1      ARG  32  -3.773  28.725  10.328
  252   1HD   ARG  32           HD2      ARG  32  -5.620  29.627   8.792
  253   2HD   ARG  32           HD1      ARG  32  -5.764  30.972   9.937
  254    HE   ARG  32           HE       ARG  32  -3.687  31.781   9.169
  255   1HH1  ARG  32          HH11      ARG  32  -4.516  29.174   7.247
  256   2HH1  ARG  32          HH12      ARG  32  -2.899  28.765   6.789
  257   1HH2  ARG  32          HH21      ARG  32  -1.417  30.954   9.029
  258   2HH2  ARG  32          HH22      ARG  32  -1.148  29.773   7.791
  259    H    TYR  33           HN       TYR  33  -7.422  27.954  13.795
  260    HA   TYR  33           HA       TYR  33  -8.839  25.491  13.008
  261   1HB   TYR  33           HB2      TYR  33  -7.084  25.282  15.062
  262   2HB   TYR  33           HB1      TYR  33  -8.522  25.813  15.931
  263    HD1  TYR  33           HD1      TYR  33 -10.317  24.324  16.362
  264    HD2  TYR  33           HD2      TYR  33  -7.305  23.281  13.482
  265    HE1  TYR  33           HE1      TYR  33 -11.297  22.055  16.158
  266    HE2  TYR  33           HE2      TYR  33  -8.281  21.010  13.283
  267    HH   TYR  33           HH       TYR  33 -10.020  19.568  15.276
  268    HA   PRO  34           HA       PRO  34 -11.371  29.191  14.339
  269   1HB   PRO  34           HB2      PRO  34 -12.356  29.927  11.902
  270   2HB   PRO  34           HB1      PRO  34 -10.825  30.545  12.553
  271   1HG   PRO  34           HG2      PRO  34 -11.303  28.493  10.476
  272   2HG   PRO  34           HG1      PRO  34  -9.978  29.651  10.640
  273   1HD   PRO  34           HD2      PRO  34  -9.860  26.953  11.291
  274   2HD   PRO  34           HD1      PRO  34  -8.725  28.202  11.843
  275    H    GLY  35           HN       GLY  35 -11.969  26.451  12.217
  276   1HA   GLY  35           HA2      GLY  35 -13.821  24.915  12.598
  277   2HA   GLY  35           HA1      GLY  35 -14.724  26.244  13.332
  278    H    ASP  36           HN       ASP  36 -12.934  26.293  10.287
  279    HA   ASP  36           HA       ASP  36 -15.199  27.495   8.886
  280   1HB   ASP  36           HB2      ASP  36 -13.550  27.621   7.058
  281   2HB   ASP  36           HB1      ASP  36 -12.837  28.154   8.577
  282    H    VAL  37           HN       VAL  37 -16.513  25.340   9.372
  283    HA   VAL  37           HA       VAL  37 -17.539  23.394   8.523
  284    HB   VAL  37           HB       VAL  37 -16.454  24.690   6.000
  285   1HG1  VAL  37          HG11      VAL  37 -17.150  22.439   5.469
  286   2HG1  VAL  37          HG12      VAL  37 -18.431  23.526   4.938
  287   3HG1  VAL  37          HG13      VAL  37 -18.614  22.609   6.433
  288   1HG2  VAL  37          HG21      VAL  37 -19.092  25.294   6.098
  289   2HG2  VAL  37          HG22      VAL  37 -17.845  26.329   6.791
  290   3HG2  VAL  37          HG23      VAL  37 -18.740  25.215   7.824
  291    H    LYS  38           HN       LYS  38 -15.116  23.259   5.912
  292    HA   LYS  38           HA       LYS  38 -14.381  20.544   6.725
  293   1HB   LYS  38           HB2      LYS  38 -13.413  22.422   4.545
  294   2HB   LYS  38           HB1      LYS  38 -12.908  20.740   4.690
  295   1HG   LYS  38           HG2      LYS  38 -15.273  20.024   4.491
  296   2HG   LYS  38           HG1      LYS  38 -15.753  21.710   4.308
  297   1HD   LYS  38           HD2      LYS  38 -14.359  21.899   2.280
  298   2HD   LYS  38           HD1      LYS  38 -13.877  20.212   2.460
  299   1HE   LYS  38           HE2      LYS  38 -15.680  20.193   0.874
  300   2HE   LYS  38           HE1      LYS  38 -16.404  19.664   2.406
  301   1HZ   LYS  38           HZ1      LYS  38 -17.148  21.858   2.856
  302   2HZ   LYS  38           HZ2      LYS  38 -17.630  21.499   1.267
  303   3HZ   LYS  38           HZ3      LYS  38 -16.286  22.499   1.544
  304    H    ARG  39           HN       ARG  39 -12.345  19.897   7.509
  305    HA   ARG  39           HA       ARG  39 -10.897  21.768   9.148
  306   1HB   ARG  39           HB2      ARG  39 -10.261  18.954   8.206
  307   2HB   ARG  39           HB1      ARG  39  -9.444  19.784   9.530
  308   1HG   ARG  39           HG2      ARG  39 -11.795  20.091  10.547
  309   2HG   ARG  39           HG1      ARG  39 -12.316  18.871   9.384
  310   1HD   ARG  39           HD2      ARG  39 -11.733  17.777  11.509
  311   2HD   ARG  39           HD1      ARG  39 -10.529  17.335  10.281
  312    HE   ARG  39           HE       ARG  39  -9.793  19.771  11.685
  313   1HH1  ARG  39          HH21      ARG  39 -10.358  17.648  13.802
  314   2HH1  ARG  39          HH22      ARG  39  -8.785  16.952  14.001
  315   1HH2  ARG  39          HH11      ARG  39  -7.528  18.308  11.067
  316   2HH2  ARG  39          HH12      ARG  39  -7.180  17.325  12.451
  317    H    GLY  40           HN       GLY  40 -10.464  20.483   5.906
  318   1HA   GLY  40           HA2      GLY  40  -9.148  22.213   4.483
  319   2HA   GLY  40           HA1      GLY  40  -7.865  21.925   5.660
  320    H    ILE  41           HN       ILE  41  -7.617  19.376   6.026
  321    HA   ILE  41           HA       ILE  41  -6.582  18.308   3.559
  322    HB   ILE  41           HB       ILE  41  -5.701  17.890   5.849
  323   1HG1  ILE  41          HG12      ILE  41  -6.582  15.257   4.674
  324   2HG1  ILE  41          HG11      ILE  41  -5.446  16.298   3.816
  325   1HG2  ILE  41          HG21      ILE  41  -8.035  16.000   6.218
  326   2HG2  ILE  41          HG22      ILE  41  -8.052  17.644   6.852
  327   3HG2  ILE  41          HG23      ILE  41  -6.838  16.497   7.414
  328   1HD1  ILE  41          HD11      ILE  41  -3.745  15.717   5.187
  329   2HD1  ILE  41          HD12      ILE  41  -4.797  14.445   5.806
  330   3HD1  ILE  41          HD13      ILE  41  -4.718  16.001   6.631
  331    H    VAL  42           HN       VAL  42  -9.566  17.678   5.393
  332    HA   VAL  42           HA       VAL  42 -10.471  15.369   3.997
  333    HB   VAL  42           HB       VAL  42 -12.721  16.159   4.782
  334   1HG1  VAL  42          HG11      VAL  42 -11.654  14.906   6.421
  335   2HG1  VAL  42          HG12      VAL  42 -11.853  16.439   7.269
  336   3HG1  VAL  42          HG13      VAL  42 -10.300  16.029   6.540
  337   1HG2  VAL  42          HG21      VAL  42 -12.995  18.238   5.890
  338   2HG2  VAL  42          HG22      VAL  42 -12.080  18.634   4.437
  339   3HG2  VAL  42          HG23      VAL  42 -11.257  18.511   5.991
  340    H    GLU  43           HN       GLU  43 -10.510  18.748   3.072
  341    HA   GLU  43           HA       GLU  43 -12.526  18.700   1.082
  342   1HB   GLU  43           HB2      GLU  43 -11.375  20.699   2.032
  343   2HB   GLU  43           HB1      GLU  43  -9.927  20.258   1.121
  344   1HG   GLU  43           HG2      GLU  43 -11.136  20.441  -0.978
  345   2HG   GLU  43           HG1      GLU  43 -12.641  20.753  -0.117
  346    H    GLN  44           HN       GLN  44  -9.128  17.722   0.956
  347    HA   GLN  44           HA       GLN  44  -8.799  17.466  -1.860
  348   1HB   GLN  44           HB2      GLN  44  -7.010  17.358  -0.158
  349   2HB   GLN  44           HB1      GLN  44  -7.666  15.835   0.438
  350   1HG   GLN  44           HG2      GLN  44  -7.282  14.831  -1.818
  351   2HG   GLN  44           HG1      GLN  44  -6.517  16.339  -2.324
  352   1HE2  GLN  44          HE21      GLN  44  -4.286  15.934  -2.344
  353   2HE2  GLN  44          HE22      GLN  44  -3.432  15.183  -1.084
  354    H    CYS  45           HN       CYS  45  -9.990  15.076   0.536
  355    HA   CYS  45           HA       CYS  45 -10.450  13.035  -1.511
  356   1HB   CYS  45           HB2      CYS  45 -11.333  13.282   1.384
  357   2HB   CYS  45           HB1      CYS  45 -11.416  11.810   0.420
  358    H    CYS  46           HN       CYS  46 -12.338  15.536   0.091
  359    HA   CYS  46           HA       CYS  46 -14.951  14.568  -0.685
  360   1HB   CYS  46           HB2      CYS  46 -13.792  17.246   0.125
  361   2HB   CYS  46           HB1      CYS  46 -15.512  17.027  -0.198
  362    H    THR  47           HN       THR  47 -12.628  16.834  -2.167
  363    HA   THR  47           HA       THR  47 -14.357  17.537  -4.407
  364    HB   THR  47           HB       THR  47 -11.354  17.739  -3.976
  365    HG1  THR  47           HG1      THR  47 -13.410  19.655  -3.609
  366   1HG2  THR  47          HG21      THR  47 -12.291  17.967  -6.366
  367   2HG2  THR  47          HG22      THR  47 -11.298  19.293  -5.761
  368   3HG2  THR  47          HG23      THR  47 -13.055  19.449  -5.791
  369    H    SER  48           HN       SER  48 -11.611  15.322  -3.941
  370    HA   SER  48           HA       SER  48 -12.444  13.826  -6.404
  371   1HB   SER  48           HB2      SER  48  -9.650  14.550  -5.451
  372   2HB   SER  48           HB1      SER  48 -10.009  13.552  -6.857
  373    HG   SER  48           HG       SER  48  -9.816  15.550  -7.680
  374    H    ILE  49           HN       ILE  49 -12.089  11.507  -6.211
  375    HA   ILE  49           HA       ILE  49 -12.288  10.458  -3.523
  376    HB   ILE  49           HB       ILE  49 -11.668   9.086  -6.168
  377   1HG1  ILE  49          HG12      ILE  49 -14.328   9.485  -4.755
  378   2HG1  ILE  49          HG11      ILE  49 -13.777  10.465  -6.114
  379   1HG2  ILE  49          HG21      ILE  49 -12.876   7.985  -3.609
  380   2HG2  ILE  49          HG22      ILE  49 -11.202   7.738  -4.105
  381   3HG2  ILE  49          HG23      ILE  49 -12.516   7.072  -5.075
  382   1HD1  ILE  49          HD11      ILE  49 -13.510   8.314  -7.430
  383   2HD1  ILE  49          HD12      ILE  49 -15.176   8.736  -7.030
  384   3HD1  ILE  49          HD13      ILE  49 -14.336   7.489  -6.108
  385    H    CYS  50           HN       CYS  50 -10.643  10.015  -2.138
  386    HA   CYS  50           HA       CYS  50  -7.855  10.385  -2.939
  387   1HB   CYS  50           HB2      CYS  50  -9.427   9.811  -0.447
  388   2HB   CYS  50           HB1      CYS  50  -7.682   9.557  -0.422
  389    H    SER  51           HN       SER  51  -6.199   8.725  -2.706
  390    HA   SER  51           HA       SER  51  -7.047   6.110  -3.687
  391   1HB   SER  51           HB2      SER  51  -4.639   5.740  -3.811
  392   2HB   SER  51           HB1      SER  51  -4.993   7.369  -4.374
  393    HG   SER  51           HG       SER  51  -3.246   6.913  -2.688
  394    H    LEU  52           HN       LEU  52  -6.931   4.149  -2.574
  395    HA   LEU  52           HA       LEU  52  -7.542   4.069   0.184
  396   1HB   LEU  52           HB2      LEU  52  -8.079   2.322  -1.457
  397   2HB   LEU  52           HB1      LEU  52  -6.365   1.962  -1.654
  398    HG   LEU  52           HG       LEU  52  -6.267   1.410   0.797
  399   1HD1  LEU  52          HD11      LEU  52  -8.769   2.659   0.851
  400   2HD1  LEU  52          HD12      LEU  52  -8.032   1.743   2.163
  401   3HD1  LEU  52          HD13      LEU  52  -9.140   0.946   1.048
  402   1HD2  LEU  52          HD21      LEU  52  -6.416  -0.424  -0.731
  403   2HD2  LEU  52          HD22      LEU  52  -8.126  -0.119  -1.038
  404   3HD2  LEU  52          HD23      LEU  52  -7.609  -0.748   0.527
  405    H    TYR  53           HN       TYR  53  -4.409   3.646  -1.466
  406    HA   TYR  53           HA       TYR  53  -2.864   2.770   0.751
  407   1HB   TYR  53           HB2      TYR  53  -2.150   2.781  -1.604
  408   2HB   TYR  53           HB1      TYR  53  -2.129   4.537  -1.577
  409    HD1  TYR  53           HD1      TYR  53  -0.390   5.774  -0.364
  410    HD2  TYR  53           HD2      TYR  53  -0.454   1.480  -0.425
  411    HE1  TYR  53           HE1      TYR  53   1.932   5.727   0.508
  412    HE2  TYR  53           HE2      TYR  53   1.866   1.433   0.448
  413    HH   TYR  53           HH       TYR  53   3.312   3.233   1.924
  414    H    GLN  54           HN       GLN  54  -3.600   6.096  -0.348
  415    HA   GLN  54           HA       GLN  54  -2.040   7.408   1.704
  416   1HB   GLN  54           HB2      GLN  54  -4.367   8.239  -0.054
  417   2HB   GLN  54           HB1      GLN  54  -3.512   9.363   1.004
  418   1HG   GLN  54           HG2      GLN  54  -1.391   8.832  -0.136
  419   2HG   GLN  54           HG1      GLN  54  -2.242   7.709  -1.196
  420   1HE2  GLN  54          HE21      GLN  54  -2.069   8.841  -3.191
  421   2HE2  GLN  54          HE22      GLN  54  -2.700  10.397  -3.440
  422    H    LEU  55           HN       LEU  55  -5.444   6.398   1.444
  423    HA   LEU  55           HA       LEU  55  -6.429   7.585   3.844
  424   1HB   LEU  55           HB2      LEU  55  -7.133   5.071   2.310
  425   2HB   LEU  55           HB1      LEU  55  -8.112   5.687   3.640
  426    HG   LEU  55           HG       LEU  55  -7.393   7.287   1.167
  427   1HD1  LEU  55          HD11      LEU  55 -10.173   6.367   1.757
  428   2HD1  LEU  55          HD12      LEU  55  -9.047   5.185   1.091
  429   3HD1  LEU  55          HD13      LEU  55  -9.397   6.667   0.202
  430   1HD2  LEU  55          HD21      LEU  55  -9.427   8.619   2.129
  431   2HD2  LEU  55          HD22      LEU  55  -7.846   8.832   2.882
  432   3HD2  LEU  55          HD23      LEU  55  -9.048   7.783   3.635
  433    H    GLU  56           HN       GLU  56  -4.930   4.413   3.247
  434    HA   GLU  56           HA       GLU  56  -5.119   3.379   5.906
  435   1HB   GLU  56           HB2      GLU  56  -3.173   2.952   3.619
  436   2HB   GLU  56           HB1      GLU  56  -3.158   1.972   5.087
  437   1HG   GLU  56           HG2      GLU  56  -5.502   1.323   4.686
  438   2HG   GLU  56           HG1      GLU  56  -5.528   2.308   3.223
  439    H    ASN  57           HN       ASN  57  -2.636   5.389   4.320
  440    HA   ASN  57           HA       ASN  57  -0.707   5.386   6.433
  441   1HB   ASN  57           HB2      ASN  57  -0.342   6.135   4.090
  442   2HB   ASN  57           HB1      ASN  57  -1.378   7.531   4.389
  443   1HD2  ASN  57          HD21      ASN  57   0.473   9.001   4.018
  444   2HD2  ASN  57          HD22      ASN  57   1.686   9.175   5.192
  445    H    TYR  58           HN       TYR  58  -3.486   7.512   5.787
  446    HA   TYR  58           HA       TYR  58  -3.024   9.461   7.808
  447   1HB   TYR  58           HB2      TYR  58  -5.441   8.330   6.413
  448   2HB   TYR  58           HB1      TYR  58  -5.625   9.560   7.656
  449    HD1  TYR  58           HD1      TYR  58  -3.288  11.313   7.218
  450    HD2  TYR  58           HD2      TYR  58  -5.849   9.375   4.366
  451    HE1  TYR  58           HE1      TYR  58  -2.730  13.046   5.537
  452    HE2  TYR  58           HE2      TYR  58  -5.291  11.106   2.687
  453    HH   TYR  58           HH       TYR  58  -3.829  14.012   3.461
  454    H    CYS  59           HN       CYS  59  -4.707   6.328   7.963
  455    HA   CYS  59           HA       CYS  59  -5.372   6.701  10.813
  456   1HB   CYS  59           HB2      CYS  59  -6.813   5.591   9.031
  457   2HB   CYS  59           HB1      CYS  59  -5.657   4.259   9.039
  458    H    ASN  60           HN       ASN  60  -2.755   5.394   8.947
  459    HA   ASN  60           HA       ASN  60  -1.872   3.376  10.849
  460   1HB   ASN  60           HB2      ASN  60  -0.686   4.848   8.498
  461   2HB   ASN  60           HB1      ASN  60   0.307   3.761   9.468
  462   1HD2  ASN  60          HD21      ASN  60  -0.325   3.196   6.711
  463   2HD2  ASN  60          HD22      ASN  60  -1.311   1.816   6.669
  Start of MODEL   19
    1   1H    PHE   1           HT1      PHE   1 -18.451  -4.761  -5.341
    2   2H    PHE   1           HT2      PHE   1 -19.655  -3.829  -6.094
    3   3H    PHE   1           HT3      PHE   1 -19.219  -3.517  -4.482
    4    HA   PHE   1           HA       PHE   1 -16.926  -2.953  -5.302
    5   1HB   PHE   1           HB2      PHE   1 -17.308  -4.273  -7.399
    6   2HB   PHE   1           HB1      PHE   1 -18.448  -3.034  -7.928
    7    HD1  PHE   1           HD1      PHE   1 -14.926  -3.888  -7.436
    8    HD2  PHE   1           HD2      PHE   1 -17.668  -0.728  -8.410
    9    HE1  PHE   1           HE1      PHE   1 -13.045  -2.520  -8.297
   10    HE2  PHE   1           HE2      PHE   1 -15.787   0.639  -9.272
   11    HZ   PHE   1           HZ       PHE   1 -13.475  -0.257  -9.215
   12    H    VAL   2           HN       VAL   2 -16.754  -0.788  -4.820
   13    HA   VAL   2           HA       VAL   2 -18.945   1.031  -5.628
   14    HB   VAL   2           HB       VAL   2 -18.674   2.076  -3.397
   15   1HG1  VAL   2          HG11      VAL   2 -19.143  -0.917  -3.315
   16   2HG1  VAL   2          HG12      VAL   2 -20.354   0.301  -3.714
   17   3HG1  VAL   2          HG13      VAL   2 -19.673   0.235  -2.088
   18   1HG2  VAL   2          HG21      VAL   2 -16.229   1.181  -3.238
   19   2HG2  VAL   2          HG22      VAL   2 -16.980  -0.284  -2.607
   20   3HG2  VAL   2          HG23      VAL   2 -17.194   1.250  -1.765
   21    H    ASN   3           HN       ASN   3 -18.253   3.304  -5.758
   22    HA   ASN   3           HA       ASN   3 -15.356   3.879  -5.829
   23   1HB   ASN   3           HB2      ASN   3 -15.971   2.793  -8.009
   24   2HB   ASN   3           HB1      ASN   3 -17.156   4.073  -8.272
   25   1HD2  ASN   3          HD21      ASN   3 -15.996   4.899 -10.157
   26   2HD2  ASN   3          HD22      ASN   3 -14.526   5.732  -9.992
   27    H    GLN   4           HN       GLN   4 -15.783   5.540  -4.313
   28    HA   GLN   4           HA       GLN   4 -17.219   7.920  -5.387
   29   1HB   GLN   4           HB2      GLN   4 -17.759   6.644  -2.689
   30   2HB   GLN   4           HB1      GLN   4 -18.546   8.080  -3.329
   31   1HG   GLN   4           HG2      GLN   4 -19.427   6.695  -5.225
   32   2HG   GLN   4           HG1      GLN   4 -18.746   5.265  -4.445
   33   1HE2  GLN   4          HE21      GLN   4 -20.575   8.106  -3.156
   34   2HE2  GLN   4          HE22      GLN   4 -21.739   7.167  -2.352
   35    H    HIS   5           HN       HIS   5 -16.748   9.859  -4.104
   36    HA   HIS   5           HA       HIS   5 -13.970   9.978  -3.200
   37   1HB   HIS   5           HB2      HIS   5 -16.264  11.961  -3.309
   38   2HB   HIS   5           HB1      HIS   5 -14.607  12.395  -2.893
   39    HD1  HIS   5           HD1      HIS   5 -12.781  12.061  -4.791
   40    HD2  HIS   5           HD2      HIS   5 -16.728  11.608  -6.053
   41    HE1  HIS   5           HE1      HIS   5 -12.739  12.151  -7.321
   42    H    LEU   6           HN       LEU   6 -13.283  10.486  -1.056
   43    HA   LEU   6           HA       LEU   6 -15.021   9.529   1.089
   44   1HB   LEU   6           HB2      LEU   6 -12.190  10.576   0.877
   45   2HB   LEU   6           HB1      LEU   6 -12.900  10.081   2.414
   46    HG   LEU   6           HG       LEU   6 -13.085   8.208   0.086
   47   1HD1  LEU   6          HD11      LEU   6 -10.736   8.877   0.064
   48   2HD1  LEU   6          HD12      LEU   6 -10.874   7.251   0.730
   49   3HD1  LEU   6          HD13      LEU   6 -10.621   8.625   1.806
   50   1HD2  LEU   6          HD21      LEU   6 -13.347   8.164   3.021
   51   2HD2  LEU   6          HD22      LEU   6 -12.416   6.813   2.376
   52   3HD2  LEU   6          HD23      LEU   6 -14.062   7.097   1.813
   53    H    CYS   7           HN       CYS   7 -16.590  11.402   0.600
   54    HA   CYS   7           HA       CYS   7 -15.983  13.677   2.420
   55   1HB   CYS   7           HB2      CYS   7 -16.147  13.703  -0.531
   56   2HB   CYS   7           HB1      CYS   7 -17.158  14.919   0.247
   57    H    GLY   8           HN       GLY   8 -18.176  15.181   2.150
   58   1HA   GLY   8           HA2      GLY   8 -20.438  15.290   2.762
   59   2HA   GLY   8           HA1      GLY   8 -20.668  14.076   1.499
   60    H    SER   9           HN       SER   9 -22.131  12.696   2.595
   61    HA   SER   9           HA       SER   9 -21.768  11.930   5.387
   62   1HB   SER   9           HB2      SER   9 -23.718  10.557   4.944
   63   2HB   SER   9           HB1      SER   9 -23.932  12.088   4.101
   64    HG   SER   9           HG       SER   9 -24.196   9.854   2.994
   65    H    HIS  10           HN       HIS  10 -20.705  10.659   2.302
   66    HA   HIS  10           HA       HIS  10 -20.195   7.938   3.015
   67   1HB   HIS  10           HB2      HIS  10 -20.229   8.957   0.727
   68   2HB   HIS  10           HB1      HIS  10 -18.690   9.739   1.092
   69    HD1  HIS  10           HD1      HIS  10 -20.202   6.262   0.824
   70    HD2  HIS  10           HD2      HIS  10 -16.462   8.101   0.738
   71    HE1  HIS  10           HE1      HIS  10 -18.534   4.463   0.195
   72    H    LEU  11           HN       LEU  11 -18.253  10.875   3.447
   73    HA   LEU  11           HA       LEU  11 -15.757   9.678   4.109
   74   1HB   LEU  11           HB2      LEU  11 -16.009  12.037   3.623
   75   2HB   LEU  11           HB1      LEU  11 -17.126  12.249   4.968
   76    HG   LEU  11           HG       LEU  11 -15.315  11.716   6.562
   77   1HD1  LEU  11          HD11      LEU  11 -13.592  11.567   4.067
   78   2HD1  LEU  11          HD12      LEU  11 -14.001  10.215   5.123
   79   3HD1  LEU  11          HD13      LEU  11 -12.989  11.528   5.724
   80   1HD2  LEU  11          HD21      LEU  11 -14.429  13.817   4.561
   81   2HD2  LEU  11          HD22      LEU  11 -14.056  13.773   6.284
   82   3HD2  LEU  11          HD23      LEU  11 -15.710  14.066   5.747
   83    H    VAL  12           HN       VAL  12 -18.400  10.713   6.322
   84    HA   VAL  12           HA       VAL  12 -17.171   9.834   8.750
   85    HB   VAL  12           HB       VAL  12 -20.064  10.118   7.859
   86   1HG1  VAL  12          HG11      VAL  12 -20.665  10.175  10.233
   87   2HG1  VAL  12          HG12      VAL  12 -18.981   9.913  10.688
   88   3HG1  VAL  12          HG13      VAL  12 -19.879   8.641   9.858
   89   1HG2  VAL  12          HG21      VAL  12 -18.112  11.920   9.311
   90   2HG2  VAL  12          HG22      VAL  12 -19.845  12.240   9.234
   91   3HG2  VAL  12          HG23      VAL  12 -18.887  12.209   7.753
   92    H    GLU  13           HN       GLU  13 -19.450   8.182   6.568
   93    HA   GLU  13           HA       GLU  13 -19.720   5.744   7.986
   94   1HB   GLU  13           HB2      GLU  13 -19.829   6.476   5.054
   95   2HB   GLU  13           HB1      GLU  13 -20.317   4.894   5.661
   96   1HG   GLU  13           HG2      GLU  13 -21.985   5.954   7.127
   97   2HG   GLU  13           HG1      GLU  13 -21.488   7.545   6.556
   98    H    ALA  14           HN       ALA  14 -17.483   6.511   5.312
   99    HA   ALA  14           HA       ALA  14 -16.194   3.984   5.183
  100   1HB   ALA  14           HB1      ALA  14 -16.031   5.507   3.373
  101   2HB   ALA  14           HB2      ALA  14 -14.400   5.416   4.037
  102   3HB   ALA  14           HB3      ALA  14 -15.430   6.797   4.414
  103    H    LEU  15           HN       LEU  15 -14.925   6.987   6.708
  104    HA   LEU  15           HA       LEU  15 -12.545   5.847   7.748
  105   1HB   LEU  15           HB2      LEU  15 -14.302   8.198   8.357
  106   2HB   LEU  15           HB1      LEU  15 -12.960   7.846   9.441
  107    HG   LEU  15           HG       LEU  15 -12.405   9.466   7.597
  108   1HD1  LEU  15          HD11      LEU  15 -10.423   8.640   8.341
  109   2HD1  LEU  15          HD12      LEU  15 -10.403   7.802   6.790
  110   3HD1  LEU  15          HD13      LEU  15 -10.966   6.966   8.237
  111   1HD2  LEU  15          HD21      LEU  15 -12.096   8.630   5.324
  112   2HD2  LEU  15          HD22      LEU  15 -13.767   8.357   5.818
  113   3HD2  LEU  15          HD23      LEU  15 -12.619   7.018   5.816
  114    H    TYR  16           HN       TYR  16 -15.664   6.350   9.468
  115    HA   TYR  16           HA       TYR  16 -14.849   5.202  11.953
  116   1HB   TYR  16           HB2      TYR  16 -17.391   5.825  10.526
  117   2HB   TYR  16           HB1      TYR  16 -17.499   4.752  11.920
  118    HD1  TYR  16           HD1      TYR  16 -17.814   5.725  14.000
  119    HD2  TYR  16           HD2      TYR  16 -15.783   7.954  10.940
  120    HE1  TYR  16           HE1      TYR  16 -17.662   7.675  15.523
  121    HE2  TYR  16           HE2      TYR  16 -15.631   9.905  12.465
  122    HH   TYR  16           HH       TYR  16 -16.877  10.773  14.467
  123    H    LEU  17           HN       LEU  17 -16.555   3.690   9.191
  124    HA   LEU  17           HA       LEU  17 -16.825   1.112  10.372
  125   1HB   LEU  17           HB2      LEU  17 -16.768   2.094   7.537
  126   2HB   LEU  17           HB1      LEU  17 -17.235   0.456   7.976
  127    HG   LEU  17           HG       LEU  17 -18.556   2.963   9.054
  128   1HD1  LEU  17          HD11      LEU  17 -19.696   1.001   7.055
  129   2HD1  LEU  17          HD12      LEU  17 -18.867   2.478   6.561
  130   3HD1  LEU  17          HD13      LEU  17 -20.343   2.574   7.522
  131   1HD2  LEU  17          HD21      LEU  17 -19.050   1.352  10.639
  132   2HD2  LEU  17          HD22      LEU  17 -18.871   0.022   9.495
  133   3HD2  LEU  17          HD23      LEU  17 -20.332   1.011   9.477
  134    H    VAL  18           HN       VAL  18 -14.275   2.431   8.237
  135    HA   VAL  18           HA       VAL  18 -12.880  -0.081   7.940
  136    HB   VAL  18           HB       VAL  18 -12.030   2.788   7.608
  137   1HG1  VAL  18          HG11      VAL  18 -10.644   0.197   7.098
  138   2HG1  VAL  18          HG12      VAL  18  -9.965   1.755   7.567
  139   3HG1  VAL  18          HG13      VAL  18 -10.448   1.472   5.895
  140   1HG2  VAL  18          HG21      VAL  18 -12.745   2.620   5.383
  141   2HG2  VAL  18          HG22      VAL  18 -13.988   1.712   6.244
  142   3HG2  VAL  18          HG23      VAL  18 -12.694   0.857   5.406
  143    H    CYS  19           HN       CYS  19 -12.143   2.805   9.913
  144    HA   CYS  19           HA       CYS  19  -9.933   1.566  11.305
  145   1HB   CYS  19           HB2      CYS  19 -11.629   4.007  11.649
  146   2HB   CYS  19           HB1      CYS  19 -10.394   3.605  12.839
  147    H    GLY  20           HN       GLY  20 -13.359   2.068  12.112
  148   1HA   GLY  20           HA2      GLY  20 -14.705   1.100  13.760
  149   2HA   GLY  20           HA1      GLY  20 -13.557  -0.236  13.752
  150    H    GLU  21           HN       GLU  21 -12.303   2.927  14.457
  151    HA   GLU  21           HA       GLU  21 -12.595   2.684  17.355
  152   1HB   GLU  21           HB2      GLU  21 -10.810   1.045  16.632
  153   2HB   GLU  21           HB1      GLU  21  -9.873   2.419  16.045
  154   1HG   GLU  21           HG2      GLU  21  -9.886   3.394  18.319
  155   2HG   GLU  21           HG1      GLU  21 -10.813   2.015  18.901
  156    H    ARG  22           HN       ARG  22 -11.626   4.590  18.451
  157    HA   ARG  22           HA       ARG  22 -11.358   6.911  16.612
  158   1HB   ARG  22           HB2      ARG  22 -12.161   6.678  19.526
  159   2HB   ARG  22           HB1      ARG  22 -12.086   8.195  18.627
  160   1HG   ARG  22           HG2      ARG  22 -13.737   7.279  17.002
  161   2HG   ARG  22           HG1      ARG  22 -13.856   5.819  17.983
  162   1HD   ARG  22           HD2      ARG  22 -14.510   8.629  18.948
  163   2HD   ARG  22           HD1      ARG  22 -15.696   7.375  18.539
  164    HE   ARG  22           HE       ARG  22 -13.785   7.237  20.826
  165   1HH1  ARG  22          HH11      ARG  22 -16.618   7.330  21.502
  166   2HH1  ARG  22          HH12      ARG  22 -17.064   5.662  21.628
  167   1HH2  ARG  22          HH21      ARG  22 -14.281   4.513  19.908
  168   2HH2  ARG  22          HH22      ARG  22 -15.742   4.067  20.725
  169    H    GLY  23           HN       GLY  23  -9.189   5.000  17.467
  170   1HA   GLY  23           HA2      GLY  23  -7.511   6.308  19.407
  171   2HA   GLY  23           HA1      GLY  23  -6.997   5.050  18.284
  172    H    PHE  24           HN       PHE  24  -8.068   6.835  16.004
  173    HA   PHE  24           HA       PHE  24  -5.533   8.103  15.430
  174   1HB   PHE  24           HB2      PHE  24  -6.637   8.735  13.350
  175   2HB   PHE  24           HB1      PHE  24  -7.083   7.085  13.759
  176    HD1  PHE  24           HD1      PHE  24  -8.263  10.564  13.472
  177    HD2  PHE  24           HD2      PHE  24  -9.363   6.539  14.501
  178    HE1  PHE  24           HE1      PHE  24 -10.662  11.186  13.351
  179    HE2  PHE  24           HE2      PHE  24 -11.760   7.167  14.385
  180    HZ   PHE  24           HZ       PHE  24 -12.408   9.489  13.812
  181    H    PHE  25           HN       PHE  25  -4.871  10.001  16.221
  182    HA   PHE  25           HA       PHE  25  -6.615  11.843  17.618
  183   1HB   PHE  25           HB2      PHE  25  -3.721  11.883  16.722
  184   2HB   PHE  25           HB1      PHE  25  -4.438  13.156  17.709
  185    HD1  PHE  25           HD1      PHE  25  -5.067  12.757  20.032
  186    HD2  PHE  25           HD2      PHE  25  -3.432   9.613  17.604
  187    HE1  PHE  25           HE1      PHE  25  -4.714  11.373  22.060
  188    HE2  PHE  25           HE2      PHE  25  -3.078   8.231  19.632
  189    HZ   PHE  25           HZ       PHE  25  -3.718   9.110  21.860
  190    H    TYR  26           HN       TYR  26  -5.220  11.641  14.392
  191    HA   TYR  26           HA       TYR  26  -5.504  12.975  12.468
  192   1HB   TYR  26           HB2      TYR  26  -7.949  12.552  13.638
  193   2HB   TYR  26           HB1      TYR  26  -7.903  14.312  13.575
  194    HD1  TYR  26           HD1      TYR  26  -9.388  11.885  11.902
  195    HD2  TYR  26           HD2      TYR  26  -6.356  14.827  11.109
  196    HE1  TYR  26           HE1      TYR  26  -9.947  11.816   9.487
  197    HE2  TYR  26           HE2      TYR  26  -6.916  14.753   8.696
  198    HH   TYR  26           HH       TYR  26  -8.951  14.142   7.302
  199    H    THR  27           HN       THR  27  -3.832  14.028  14.527
  200    HA   THR  27           HA       THR  27  -4.462  16.814  15.019
  201    HB   THR  27           HB       THR  27  -3.135  15.403  16.543
  202    HG1  THR  27           HG1      THR  27  -2.436  17.339  16.949
  203   1HG2  THR  27          HG21      THR  27  -0.680  15.477  14.938
  204   2HG2  THR  27          HG22      THR  27  -1.936  14.459  14.235
  205   3HG2  THR  27          HG23      THR  27  -1.369  14.153  15.877
  206    HA   PRO  28           HA       PRO  28  -2.802  17.914  10.974
  207   1HB   PRO  28           HB2      PRO  28  -3.554  20.536  10.991
  208   2HB   PRO  28           HB1      PRO  28  -4.688  19.216  10.649
  209   1HG   PRO  28           HG2      PRO  28  -4.358  20.832  13.102
  210   2HG   PRO  28           HG1      PRO  28  -5.811  20.085  12.425
  211   1HD   PRO  28           HD2      PRO  28  -4.313  19.102  14.559
  212   2HD   PRO  28           HD1      PRO  28  -5.507  18.186  13.616
  213    H    LYS  29           HN       LYS  29  -0.533  17.856  11.411
  214    HA   LYS  29           HA       LYS  29   0.762  19.828  13.109
  215   1HB   LYS  29           HB2      LYS  29   1.727  17.714  11.165
  216   2HB   LYS  29           HB1      LYS  29   2.820  18.690  12.145
  217   1HG   LYS  29           HG2      LYS  29   1.720  17.867  14.195
  218   2HG   LYS  29           HG1      LYS  29   0.629  16.884  13.217
  219   1HD   LYS  29           HD2      LYS  29   2.566  15.656  12.292
  220   2HD   LYS  29           HD1      LYS  29   3.652  16.628  13.284
  221   1HE   LYS  29           HE2      LYS  29   1.407  15.006  14.513
  222   2HE   LYS  29           HE1      LYS  29   3.023  14.328  14.241
  223   1HZ   LYS  29           HZ1      LYS  29   2.462  16.852  15.708
  224   2HZ   LYS  29           HZ2      LYS  29   3.988  16.142  15.478
  225   3HZ   LYS  29           HZ3      LYS  29   2.823  15.367  16.441
  226    H    THR  30           HN       THR  30  -0.594  21.415  11.423
  227    HA   THR  30           HA       THR  30   1.461  22.814   9.928
  228    HB   THR  30           HB       THR  30   0.928  21.027   8.349
  229    HG1  THR  30           HG1      THR  30   0.660  22.353   6.703
  230   1HG2  THR  30          HG21      THR  30  -1.347  20.561   9.338
  231   2HG2  THR  30          HG22      THR  30  -1.324  20.610   7.575
  232   3HG2  THR  30          HG23      THR  30  -1.943  21.986   8.488
  233    H    ARG  31           HN       ARG  31  -2.018  22.432  10.595
  234    HA   ARG  31           HA       ARG  31  -2.257  25.348  10.971
  235   1HB   ARG  31           HB2      ARG  31  -3.776  23.683   8.944
  236   2HB   ARG  31           HB1      ARG  31  -4.302  25.287   9.448
  237   1HG   ARG  31           HG2      ARG  31  -2.149  26.230   8.677
  238   2HG   ARG  31           HG1      ARG  31  -1.638  24.627   8.157
  239   1HD   ARG  31           HD2      ARG  31  -3.712  24.554   6.682
  240   2HD   ARG  31           HD1      ARG  31  -3.914  26.278   7.041
  241    HE   ARG  31           HE       ARG  31  -2.077  26.717   5.629
  242   1HH1  ARG  31          HH21      ARG  31  -2.585  23.399   5.580
  243   2HH1  ARG  31          HH22      ARG  31  -0.961  22.978   5.156
  244   1HH2  ARG  31          HH11      ARG  31   0.273  26.189   5.568
  245   2HH2  ARG  31          HH12      ARG  31   0.651  24.552   5.144
  246    H    ARG  32           HN       ARG  32  -2.932  25.131  13.119
  247    HA   ARG  32           HA       ARG  32  -4.604  23.069  14.140
  248   1HB   ARG  32           HB2      ARG  32  -4.722  24.526  16.105
  249   2HB   ARG  32           HB1      ARG  32  -3.089  24.544  15.440
  250   1HG   ARG  32           HG2      ARG  32  -3.708  26.631  14.176
  251   2HG   ARG  32           HG1      ARG  32  -5.236  26.633  15.053
  252   1HD   ARG  32           HD2      ARG  32  -4.010  27.969  16.500
  253   2HD   ARG  32           HD1      ARG  32  -3.526  26.388  17.144
  254    HE   ARG  32           HE       ARG  32  -1.907  28.043  15.270
  255   1HH1  ARG  32          HH21      ARG  32  -1.140  27.068  18.095
  256   2HH1  ARG  32          HH22      ARG  32  -0.010  25.815  17.698
  257   1HH2  ARG  32          HH11      ARG  32  -0.963  25.645  14.369
  258   2HH2  ARG  32          HH12      ARG  32   0.092  25.013  15.588
  259    H    TYR  33           HN       TYR  33  -5.397  26.304  12.887
  260    HA   TYR  33           HA       TYR  33  -8.165  25.437  12.350
  261   1HB   TYR  33           HB2      TYR  33  -7.374  26.880  14.727
  262   2HB   TYR  33           HB1      TYR  33  -8.427  27.891  13.744
  263    HD1  TYR  33           HD1      TYR  33 -10.446  26.422  12.602
  264    HD2  TYR  33           HD2      TYR  33  -8.460  25.575  16.315
  265    HE1  TYR  33           HE1      TYR  33 -12.412  25.112  13.355
  266    HE2  TYR  33           HE2      TYR  33 -10.426  24.265  17.068
  267    HH   TYR  33           HH       TYR  33 -12.939  24.242  16.513
  268    HA   PRO  34           HA       PRO  34  -6.691  28.415   9.257
  269   1HB   PRO  34           HB2      PRO  34  -8.208  27.476   7.181
  270   2HB   PRO  34           HB1      PRO  34  -6.649  26.772   7.650
  271   1HG   PRO  34           HG2      PRO  34  -9.391  25.776   8.142
  272   2HG   PRO  34           HG1      PRO  34  -7.884  24.885   7.909
  273   1HD   PRO  34           HD2      PRO  34  -9.124  25.345  10.352
  274   2HD   PRO  34           HD1      PRO  34  -7.433  24.853  10.125
  275    H    GLY  35           HN       GLY  35 -10.044  27.567   8.406
  276   1HA   GLY  35           HA2      GLY  35 -10.896  30.282   9.308
  277   2HA   GLY  35           HA1      GLY  35 -11.337  29.684   7.711
  278    H    ASP  36           HN       ASP  36 -11.282  27.847  10.757
  279    HA   ASP  36           HA       ASP  36 -12.987  26.580  11.803
  280   1HB   ASP  36           HB2      ASP  36 -14.458  29.071  10.885
  281   2HB   ASP  36           HB1      ASP  36 -15.085  27.930  12.075
  282    H    VAL  37           HN       VAL  37 -15.476  25.917  11.389
  283    HA   VAL  37           HA       VAL  37 -16.825  24.474  10.106
  284    HB   VAL  37           HB       VAL  37 -16.243  26.759   8.196
  285   1HG1  VAL  37          HG11      VAL  37 -18.608  24.861   8.286
  286   2HG1  VAL  37          HG12      VAL  37 -17.298  24.764   7.113
  287   3HG1  VAL  37          HG13      VAL  37 -18.360  26.172   7.133
  288   1HG2  VAL  37          HG21      VAL  37 -17.164  27.794  10.060
  289   2HG2  VAL  37          HG22      VAL  37 -18.063  26.356  10.542
  290   3HG2  VAL  37          HG23      VAL  37 -18.633  27.342   9.196
  291    H    LYS  38           HN       LYS  38 -15.165  25.506   7.141
  292    HA   LYS  38           HA       LYS  38 -14.553  22.713   6.490
  293   1HB   LYS  38           HB2      LYS  38 -14.090  25.396   5.145
  294   2HB   LYS  38           HB1      LYS  38 -13.680  23.852   4.396
  295   1HG   LYS  38           HG2      LYS  38 -16.033  23.130   4.589
  296   2HG   LYS  38           HG1      LYS  38 -16.445  24.673   5.334
  297   1HD   LYS  38           HD2      LYS  38 -15.709  25.858   3.299
  298   2HD   LYS  38           HD1      LYS  38 -15.298  24.316   2.549
  299   1HE   LYS  38           HE2      LYS  38 -17.551  23.667   2.348
  300   2HE   LYS  38           HE1      LYS  38 -18.084  24.791   3.613
  301   1HZ   LYS  38           HZ1      LYS  38 -18.600  25.706   1.451
  302   2HZ   LYS  38           HZ2      LYS  38 -16.985  25.533   0.951
  303   3HZ   LYS  38           HZ3      LYS  38 -17.384  26.637   2.180
  304    H    ARG  39           HN       ARG  39 -12.728  21.782   7.305
  305    HA   ARG  39           HA       ARG  39 -10.532  23.283   8.415
  306   1HB   ARG  39           HB2      ARG  39 -11.015  20.372   7.756
  307   2HB   ARG  39           HB1      ARG  39  -9.556  20.935   8.573
  308   1HG   ARG  39           HG2      ARG  39 -10.978  21.970  10.338
  309   2HG   ARG  39           HG1      ARG  39 -12.406  21.310   9.542
  310   1HD   ARG  39           HD2      ARG  39 -10.113  19.528  10.399
  311   2HD   ARG  39           HD1      ARG  39 -11.454  19.921  11.490
  312    HE   ARG  39           HE       ARG  39 -12.567  19.133   8.990
  313   1HH1  ARG  39          HH21      ARG  39 -12.373  18.080  12.075
  314   2HH1  ARG  39          HH22      ARG  39 -12.277  16.386  11.726
  315   1HH2  ARG  39          HH11      ARG  39 -11.747  16.846   8.330
  316   2HH2  ARG  39          HH12      ARG  39 -11.923  15.688   9.605
  317    H    GLY  40           HN       GLY  40 -11.016  21.502   5.393
  318   1HA   GLY  40           HA2      GLY  40  -9.886  22.392   3.351
  319   2HA   GLY  40           HA1      GLY  40  -8.473  22.704   4.366
  320    H    ILE  41           HN       ILE  41  -8.507  20.304   5.865
  321    HA   ILE  41           HA       ILE  41  -7.115  18.500   4.094
  322    HB   ILE  41           HB       ILE  41  -8.300  18.168   6.875
  323   1HG1  ILE  41          HG12      ILE  41  -5.448  18.763   6.042
  324   2HG1  ILE  41          HG11      ILE  41  -6.602  20.012   6.507
  325   1HG2  ILE  41          HG21      ILE  41  -7.837  15.968   6.320
  326   2HG2  ILE  41          HG22      ILE  41  -6.248  16.472   6.896
  327   3HG2  ILE  41          HG23      ILE  41  -6.581  16.413   5.165
  328   1HD1  ILE  41          HD11      ILE  41  -5.280  17.931   8.192
  329   2HD1  ILE  41          HD12      ILE  41  -6.925  18.406   8.616
  330   3HD1  ILE  41          HD13      ILE  41  -5.643  19.616   8.567
  331    H    VAL  42           HN       VAL  42 -10.379  18.556   5.489
  332    HA   VAL  42           HA       VAL  42 -11.271  16.016   4.504
  333    HB   VAL  42           HB       VAL  42 -12.353  17.392   6.273
  334   1HG1  VAL  42          HG11      VAL  42 -11.987  19.554   4.863
  335   2HG1  VAL  42          HG12      VAL  42 -13.447  19.420   5.842
  336   3HG1  VAL  42          HG13      VAL  42 -13.521  19.124   4.105
  337   1HG2  VAL  42          HG21      VAL  42 -14.419  16.524   5.826
  338   2HG2  VAL  42          HG22      VAL  42 -13.570  15.761   4.482
  339   3HG2  VAL  42          HG23      VAL  42 -14.489  17.243   4.218
  340    H    GLU  43           HN       GLU  43 -11.176  19.249   3.077
  341    HA   GLU  43           HA       GLU  43 -12.666  18.674   0.688
  342   1HB   GLU  43           HB2      GLU  43 -10.555  20.705   1.449
  343   2HB   GLU  43           HB1      GLU  43 -11.389  20.741  -0.105
  344   1HG   GLU  43           HG2      GLU  43 -13.556  20.910   1.044
  345   2HG   GLU  43           HG1      GLU  43 -12.744  20.841   2.607
  346    H    GLN  44           HN       GLN  44  -9.499  17.734   1.700
  347    HA   GLN  44           HA       GLN  44  -8.045  17.680  -0.739
  348   1HB   GLN  44           HB2      GLN  44  -7.134  17.323   1.532
  349   2HB   GLN  44           HB1      GLN  44  -8.008  15.797   1.644
  350   1HG   GLN  44           HG2      GLN  44  -6.736  14.917  -0.274
  351   2HG   GLN  44           HG1      GLN  44  -5.858  16.443  -0.394
  352   1HE2  GLN  44          HE21      GLN  44  -3.790  16.091   0.435
  353   2HE2  GLN  44          HE22      GLN  44  -3.450  15.261   1.876
  354    H    CYS  45           HN       CYS  45 -10.142  15.143   0.706
  355    HA   CYS  45           HA       CYS  45  -9.808  13.399  -1.638
  356   1HB   CYS  45           HB2      CYS  45 -11.587  13.275   0.817
  357   2HB   CYS  45           HB1      CYS  45 -11.378  11.962  -0.339
  358    H    CYS  46           HN       CYS  46 -11.944  15.967  -0.720
  359    HA   CYS  46           HA       CYS  46 -14.363  15.195  -2.016
  360   1HB   CYS  46           HB2      CYS  46 -13.028  17.636  -1.026
  361   2HB   CYS  46           HB1      CYS  46 -14.217  17.924  -2.292
  362    H    THR  47           HN       THR  47 -11.627  17.134  -3.295
  363    HA   THR  47           HA       THR  47 -12.744  17.245  -5.986
  364    HB   THR  47           HB       THR  47 -10.387  18.178  -6.412
  365    HG1  THR  47           HG1      THR  47  -9.146  17.394  -4.859
  366   1HG2  THR  47          HG21      THR  47 -12.217  19.304  -4.284
  367   2HG2  THR  47          HG22      THR  47 -12.185  19.705  -6.001
  368   3HG2  THR  47          HG23      THR  47 -10.857  20.205  -4.953
  369    H    SER  48           HN       SER  48 -10.172  15.328  -4.410
  370    HA   SER  48           HA       SER  48 -10.127  13.566  -6.844
  371   1HB   SER  48           HB2      SER  48  -7.935  14.590  -5.033
  372   2HB   SER  48           HB1      SER  48  -7.690  13.211  -6.101
  373    HG   SER  48           HG       SER  48  -7.462  15.718  -6.728
  374    H    ILE  49           HN       ILE  49  -9.751  11.290  -6.401
  375    HA   ILE  49           HA       ILE  49 -10.962  10.376  -3.888
  376    HB   ILE  49           HB       ILE  49  -9.734   8.879  -6.234
  377   1HG1  ILE  49          HG12      ILE  49 -12.654   9.519  -5.714
  378   2HG1  ILE  49          HG11      ILE  49 -11.630  10.478  -6.784
  379   1HG2  ILE  49          HG21      ILE  49 -10.121   7.639  -4.025
  380   2HG2  ILE  49          HG22      ILE  49 -10.923   6.964  -5.444
  381   3HG2  ILE  49          HG23      ILE  49 -11.841   7.925  -4.285
  382   1HD1  ILE  49          HD11      ILE  49 -12.438   9.008  -8.352
  383   2HD1  ILE  49          HD12      ILE  49 -12.720   7.734  -7.165
  384   3HD1  ILE  49          HD13      ILE  49 -11.090   8.032  -7.769
  385    H    CYS  50           HN       CYS  50  -9.764   9.954  -2.073
  386    HA   CYS  50           HA       CYS  50  -6.831   9.888  -2.179
  387   1HB   CYS  50           HB2      CYS  50  -8.878   9.559   0.040
  388   2HB   CYS  50           HB1      CYS  50  -7.140   9.700   0.303
  389    H    SER  51           HN       SER  51  -5.532   8.062  -1.705
  390    HA   SER  51           HA       SER  51  -6.699   5.463  -2.380
  391   1HB   SER  51           HB2      SER  51  -4.370   4.783  -2.399
  392   2HB   SER  51           HB1      SER  51  -4.488   6.372  -3.147
  393    HG   SER  51           HG       SER  51  -2.917   6.672  -1.709
  394    H    LEU  52           HN       LEU  52  -6.500   3.566  -1.053
  395    HA   LEU  52           HA       LEU  52  -7.349   3.799   1.645
  396   1HB   LEU  52           HB2      LEU  52  -7.714   1.850   0.176
  397   2HB   LEU  52           HB1      LEU  52  -5.982   1.521   0.174
  398    HG   LEU  52           HG       LEU  52  -6.067   1.225   2.649
  399   1HD1  LEU  52          HD11      LEU  52  -8.658   0.758   3.304
  400   2HD1  LEU  52          HD12      LEU  52  -8.870   2.070   2.145
  401   3HD1  LEU  52          HD13      LEU  52  -7.861   2.308   3.571
  402   1HD2  LEU  52          HD21      LEU  52  -8.073  -0.510   1.174
  403   2HD2  LEU  52          HD22      LEU  52  -7.133  -0.964   2.595
  404   3HD2  LEU  52          HD23      LEU  52  -6.323  -0.694   1.052
  405    H    TYR  53           HN       TYR  53  -4.115   3.250   0.263
  406    HA   TYR  53           HA       TYR  53  -2.648   2.667   2.599
  407   1HB   TYR  53           HB2      TYR  53  -1.881   2.594   0.225
  408   2HB   TYR  53           HB1      TYR  53  -1.817   4.350   0.243
  409    HD1  TYR  53           HD1      TYR  53  -0.080   5.551   1.466
  410    HD2  TYR  53           HD2      TYR  53  -0.300   1.262   1.556
  411    HE1  TYR  53           HE1      TYR  53   2.197   5.452   2.444
  412    HE2  TYR  53           HE2      TYR  53   1.976   1.165   2.537
  413    HH   TYR  53           HH       TYR  53   3.420   2.968   4.011
  414    H    GLN  54           HN       GLN  54  -3.600   5.831   1.276
  415    HA   GLN  54           HA       GLN  54  -2.183   7.422   3.233
  416   1HB   GLN  54           HB2      GLN  54  -4.575   7.896   1.428
  417   2HB   GLN  54           HB1      GLN  54  -3.837   9.171   2.398
  418   1HG   GLN  54           HG2      GLN  54  -1.723   8.913   1.258
  419   2HG   GLN  54           HG1      GLN  54  -2.301   7.476   0.412
  420   1HE2  GLN  54          HE21      GLN  54  -1.346   9.874  -0.942
  421   2HE2  GLN  54          HE22      GLN  54  -2.656  10.526  -1.802
  422    H    LEU  55           HN       LEU  55  -5.503   6.107   3.045
  423    HA   LEU  55           HA       LEU  55  -6.555   7.356   5.399
  424   1HB   LEU  55           HB2      LEU  55  -7.145   4.675   4.092
  425   2HB   LEU  55           HB1      LEU  55  -8.191   5.472   5.265
  426    HG   LEU  55           HG       LEU  55  -7.381   6.625   2.578
  427   1HD1  LEU  55          HD11      LEU  55  -9.575   6.093   1.823
  428   2HD1  LEU  55          HD12      LEU  55 -10.128   5.715   3.455
  429   3HD1  LEU  55          HD13      LEU  55  -9.005   4.633   2.631
  430   1HD2  LEU  55          HD21      LEU  55  -7.862   8.544   3.750
  431   2HD2  LEU  55          HD22      LEU  55  -8.815   7.688   4.962
  432   3HD2  LEU  55          HD23      LEU  55  -9.522   8.069   3.392
  433    H    GLU  56           HN       GLU  56  -4.831   4.300   4.890
  434    HA   GLU  56           HA       GLU  56  -4.970   3.257   7.540
  435   1HB   GLU  56           HB2      GLU  56  -3.009   3.010   5.249
  436   2HB   GLU  56           HB1      GLU  56  -2.822   2.081   6.738
  437   1HG   GLU  56           HG2      GLU  56  -5.085   1.139   6.439
  438   2HG   GLU  56           HG1      GLU  56  -5.275   2.063   4.950
  439    H    ASN  57           HN       ASN  57  -2.649   5.491   6.018
  440    HA   ASN  57           HA       ASN  57  -0.765   5.647   8.163
  441   1HB   ASN  57           HB2      ASN  57  -1.658   7.589   6.018
  442   2HB   ASN  57           HB1      ASN  57  -0.272   7.889   7.064
  443   1HD2  ASN  57          HD21      ASN  57  -0.021   7.592   4.214
  444   2HD2  ASN  57          HD22      ASN  57   0.873   6.183   3.916
  445    H    TYR  58           HN       TYR  58  -3.697   7.558   7.482
  446    HA   TYR  58           HA       TYR  58  -3.389   9.409   9.664
  447   1HB   TYR  58           HB2      TYR  58  -5.765   8.421   8.068
  448   2HB   TYR  58           HB1      TYR  58  -5.843   9.763   9.206
  449    HD1  TYR  58           HD1      TYR  58  -5.781   9.225   5.876
  450    HD2  TYR  58           HD2      TYR  58  -3.437  11.275   8.837
  451    HE1  TYR  58           HE1      TYR  58  -4.902  10.749   4.127
  452    HE2  TYR  58           HE2      TYR  58  -2.560  12.798   7.089
  453    HH   TYR  58           HH       TYR  58  -3.040  13.582   4.914
  454    H    CYS  59           HN       CYS  59  -4.900   6.221   9.420
  455    HA   CYS  59           HA       CYS  59  -6.033   6.404  12.141
  456   1HB   CYS  59           HB2      CYS  59  -6.865   5.238   9.879
  457   2HB   CYS  59           HB1      CYS  59  -5.941   3.886  10.534
  458    H    ASN  60           HN       ASN  60  -2.959   5.798  10.978
  459    HA   ASN  60           HA       ASN  60  -2.197   3.421  12.430
  460   1HB   ASN  60           HB2      ASN  60  -0.832   5.781  11.168
  461   2HB   ASN  60           HB1      ASN  60   0.115   4.685  12.172
  462   1HD2  ASN  60          HD21      ASN  60   0.809   4.744   9.504
  463   2HD2  ASN  60          HD22      ASN  60   0.271   3.344   8.710
  Start of MODEL   20
    1   1H    PHE   1           HT1      PHE   1 -18.976  -3.737  -7.604
    2   2H    PHE   1           HT2      PHE   1 -17.739  -3.909  -6.451
    3   3H    PHE   1           HT3      PHE   1 -17.529  -4.515  -8.024
    4    HA   PHE   1           HA       PHE   1 -16.303  -2.427  -7.716
    5   1HB   PHE   1           HB2      PHE   1 -17.385  -3.275  -9.861
    6   2HB   PHE   1           HB1      PHE   1 -18.725  -2.179  -9.525
    7    HD1  PHE   1           HD1      PHE   1 -15.175  -2.427 -10.458
    8    HD2  PHE   1           HD2      PHE   1 -18.434   0.250  -9.643
    9    HE1  PHE   1           HE1      PHE   1 -13.888  -0.558 -11.458
   10    HE2  PHE   1           HE2      PHE   1 -17.147   2.119 -10.644
   11    HZ   PHE   1           HZ       PHE   1 -14.874   1.715 -11.551
   12    H    VAL   2           HN       VAL   2 -16.318  -0.507  -6.577
   13    HA   VAL   2           HA       VAL   2 -18.928   0.719  -5.896
   14    HB   VAL   2           HB       VAL   2 -17.941   1.159  -3.671
   15   1HG1  VAL   2          HG11      VAL   2 -18.120  -1.076  -2.828
   16   2HG1  VAL   2          HG12      VAL   2 -17.616  -1.763  -4.371
   17   3HG1  VAL   2          HG13      VAL   2 -19.192  -0.986  -4.226
   18   1HG2  VAL   2          HG21      VAL   2 -15.733  -0.652  -3.702
   19   2HG2  VAL   2          HG22      VAL   2 -15.703   1.084  -3.403
   20   3HG2  VAL   2          HG23      VAL   2 -15.512   0.472  -5.044
   21    H    ASN   3           HN       ASN   3 -18.772   3.037  -5.443
   22    HA   ASN   3           HA       ASN   3 -16.313   4.486  -6.166
   23   1HB   ASN   3           HB2      ASN   3 -17.325   3.854  -8.338
   24   2HB   ASN   3           HB1      ASN   3 -18.850   4.585  -7.840
   25   1HD2  ASN   3          HD21      ASN   3 -18.563   6.047  -9.770
   26   2HD2  ASN   3          HD22      ASN   3 -17.542   7.396  -9.637
   27    H    GLN   4           HN       GLN   4 -16.583   5.431  -4.065
   28    HA   GLN   4           HA       GLN   4 -18.701   7.521  -3.931
   29   1HB   GLN   4           HB2      GLN   4 -18.172   5.490  -1.742
   30   2HB   GLN   4           HB1      GLN   4 -19.395   6.750  -1.718
   31   1HG   GLN   4           HG2      GLN   4 -20.476   5.685  -3.711
   32   2HG   GLN   4           HG1      GLN   4 -19.305   4.367  -3.598
   33   1HE2  GLN   4          HE21      GLN   4 -22.425   5.031  -2.784
   34   2HE2  GLN   4          HE22      GLN   4 -22.572   4.089  -1.380
   35    H    HIS   5           HN       HIS   5 -18.199   9.138  -2.317
   36    HA   HIS   5           HA       HIS   5 -15.325   9.617  -1.995
   37   1HB   HIS   5           HB2      HIS   5 -17.841  11.104  -1.183
   38   2HB   HIS   5           HB1      HIS   5 -16.211  11.756  -1.018
   39    HD1  HIS   5           HD1      HIS   5 -14.862  12.172  -3.259
   40    HD2  HIS   5           HD2      HIS   5 -18.872  11.169  -3.801
   41    HE1  HIS   5           HE1      HIS   5 -15.425  12.742  -5.662
   42    H    LEU   6           HN       LEU   6 -14.317  10.002   0.094
   43    HA   LEU   6           HA       LEU   6 -15.453   8.349   2.275
   44   1HB   LEU   6           HB2      LEU   6 -12.753   9.272   1.382
   45   2HB   LEU   6           HB1      LEU   6 -12.971   8.831   3.074
   46    HG   LEU   6           HG       LEU   6 -14.159   6.916   1.168
   47   1HD1  LEU   6          HD11      LEU   6 -12.335   7.045  -0.232
   48   2HD1  LEU   6          HD12      LEU   6 -11.648   5.978   0.993
   49   3HD1  LEU   6          HD13      LEU   6 -11.287   7.704   1.023
   50   1HD2  LEU   6          HD21      LEU   6 -12.086   6.211   3.193
   51   2HD2  LEU   6          HD22      LEU   6 -13.616   5.414   2.827
   52   3HD2  LEU   6          HD23      LEU   6 -13.599   6.889   3.793
   53    H    CYS   7           HN       CYS   7 -16.032  11.329   1.512
   54    HA   CYS   7           HA       CYS   7 -15.255  12.641   4.076
   55   1HB   CYS   7           HB2      CYS   7 -15.832  14.710   2.844
   56   2HB   CYS   7           HB1      CYS   7 -14.682  13.737   1.934
   57    H    GLY   8           HN       GLY   8 -17.319  14.549   4.152
   58   1HA   GLY   8           HA2      GLY   8 -19.453  14.842   5.074
   59   2HA   GLY   8           HA1      GLY   8 -19.971  13.718   3.814
   60    H    SER   9           HN       SER   9 -21.512  12.682   5.241
   61    HA   SER   9           HA       SER   9 -20.792  11.637   7.849
   62   1HB   SER   9           HB2      SER   9 -22.979  10.549   7.668
   63   2HB   SER   9           HB1      SER   9 -23.093  12.189   7.037
   64    HG   SER   9           HG       SER   9 -23.052  11.390   4.980
   65    H    HIS  10           HN       HIS  10 -20.492  10.430   4.570
   66    HA   HIS  10           HA       HIS  10 -20.226   7.625   5.112
   67   1HB   HIS  10           HB2      HIS  10 -20.461   8.977   2.898
   68   2HB   HIS  10           HB1      HIS  10 -18.710   9.157   2.993
   69    HD1  HIS  10           HD1      HIS  10 -21.390   6.502   2.700
   70    HD2  HIS  10           HD2      HIS  10 -17.251   6.845   2.340
   71    HE1  HIS  10           HE1      HIS  10 -20.570   4.307   1.739
   72    H    LEU  11           HN       LEU  11 -18.043  10.351   5.481
   73    HA   LEU  11           HA       LEU  11 -15.521   9.028   5.589
   74   1HB   LEU  11           HB2      LEU  11 -15.870  11.463   5.494
   75   2HB   LEU  11           HB1      LEU  11 -16.626  11.439   7.080
   76    HG   LEU  11           HG       LEU  11 -13.979  10.175   7.094
   77   1HD1  LEU  11          HD11      LEU  11 -13.986  13.162   6.671
   78   2HD1  LEU  11          HD12      LEU  11 -13.806  12.055   5.310
   79   3HD1  LEU  11          HD13      LEU  11 -12.622  12.045   6.616
   80   1HD2  LEU  11          HD21      LEU  11 -13.762  12.041   8.920
   81   2HD2  LEU  11          HD22      LEU  11 -14.891  10.714   9.193
   82   3HD2  LEU  11          HD23      LEU  11 -15.487  12.278   8.637
   83    H    VAL  12           HN       VAL  12 -17.782   9.847   8.254
   84    HA   VAL  12           HA       VAL  12 -16.270   8.585  10.345
   85    HB   VAL  12           HB       VAL  12 -19.223   9.223   9.991
   86   1HG1  VAL  12          HG11      VAL  12 -17.652   8.447  12.469
   87   2HG1  VAL  12          HG12      VAL  12 -19.033   7.596  11.776
   88   3HG1  VAL  12          HG13      VAL  12 -19.255   9.181  12.516
   89   1HG2  VAL  12          HG21      VAL  12 -18.501  11.129  11.574
   90   2HG2  VAL  12          HG22      VAL  12 -17.982  11.239   9.892
   91   3HG2  VAL  12          HG23      VAL  12 -16.848  10.701  11.131
   92    H    GLU  13           HN       GLU  13 -19.095   7.473   8.486
   93    HA   GLU  13           HA       GLU  13 -19.313   4.872   9.596
   94   1HB   GLU  13           HB2      GLU  13 -21.010   6.021   8.216
   95   2HB   GLU  13           HB1      GLU  13 -19.947   5.907   6.814
   96   1HG   GLU  13           HG2      GLU  13 -21.615   4.115   6.740
   97   2HG   GLU  13           HG1      GLU  13 -20.012   3.432   6.989
   98    H    ALA  14           HN       ALA  14 -17.648   5.933   6.634
   99    HA   ALA  14           HA       ALA  14 -16.613   3.411   5.842
  100   1HB   ALA  14           HB1      ALA  14 -16.796   5.516   4.498
  101   2HB   ALA  14           HB2      ALA  14 -15.208   4.756   4.381
  102   3HB   ALA  14           HB3      ALA  14 -15.436   6.168   5.412
  103    H    LEU  15           HN       LEU  15 -14.982   6.021   7.692
  104    HA   LEU  15           HA       LEU  15 -12.466   4.740   7.977
  105   1HB   LEU  15           HB2      LEU  15 -14.007   6.766   9.599
  106   2HB   LEU  15           HB1      LEU  15 -12.365   6.292  10.035
  107    HG   LEU  15           HG       LEU  15 -13.124   7.281   7.274
  108   1HD1  LEU  15          HD11      LEU  15 -12.104   9.428   7.968
  109   2HD1  LEU  15          HD12      LEU  15 -11.915   8.802   9.606
  110   3HD1  LEU  15          HD13      LEU  15 -13.528   9.055   8.939
  111   1HD2  LEU  15          HD21      LEU  15 -11.088   6.108   7.115
  112   2HD2  LEU  15          HD22      LEU  15 -10.570   6.607   8.725
  113   3HD2  LEU  15          HD23      LEU  15 -10.553   7.766   7.396
  114    H    TYR  16           HN       TYR  16 -15.245   4.679  10.255
  115    HA   TYR  16           HA       TYR  16 -13.958   3.036  12.217
  116   1HB   TYR  16           HB2      TYR  16 -16.766   3.790  11.482
  117   2HB   TYR  16           HB1      TYR  16 -16.506   2.550  12.710
  118    HD1  TYR  16           HD1      TYR  16 -16.371   3.271  14.913
  119    HD2  TYR  16           HD2      TYR  16 -15.090   5.912  11.777
  120    HE1  TYR  16           HE1      TYR  16 -15.864   5.022  16.594
  121    HE2  TYR  16           HE2      TYR  16 -14.584   7.662  13.455
  122    HH   TYR  16           HH       TYR  16 -14.759   7.021  16.917
  123    H    LEU  17           HN       LEU  17 -16.026   2.148   9.431
  124    HA   LEU  17           HA       LEU  17 -16.106  -0.655  10.034
  125   1HB   LEU  17           HB2      LEU  17 -16.534   0.977   7.556
  126   2HB   LEU  17           HB1      LEU  17 -16.835  -0.754   7.608
  127    HG   LEU  17           HG       LEU  17 -18.110   1.268   9.472
  128   1HD1  LEU  17          HD11      LEU  17 -20.182   0.495   8.075
  129   2HD1  LEU  17          HD12      LEU  17 -18.981   0.052   6.862
  130   3HD1  LEU  17          HD13      LEU  17 -19.110   1.724   7.405
  131   1HD2  LEU  17          HD21      LEU  17 -18.383  -0.668  10.662
  132   2HD2  LEU  17          HD22      LEU  17 -18.084  -1.692   9.257
  133   3HD2  LEU  17          HD23      LEU  17 -19.674  -0.967   9.498
  134    H    VAL  18           HN       VAL  18 -13.999   1.281   7.911
  135    HA   VAL  18           HA       VAL  18 -12.551  -1.019   6.892
  136    HB   VAL  18           HB       VAL  18 -12.079   1.953   6.859
  137   1HG1  VAL  18          HG11      VAL  18 -10.729  -0.152   5.151
  138   2HG1  VAL  18          HG12      VAL  18  -9.963   0.622   6.538
  139   3HG1  VAL  18          HG13      VAL  18 -10.418   1.584   5.132
  140   1HG2  VAL  18          HG21      VAL  18 -13.464  -0.031   5.098
  141   2HG2  VAL  18          HG22      VAL  18 -12.693   1.367   4.349
  142   3HG2  VAL  18          HG23      VAL  18 -13.964   1.598   5.546
  143    H    CYS  19           HN       CYS  19 -11.466   1.683   8.971
  144    HA   CYS  19           HA       CYS  19  -9.036   0.336   9.771
  145   1HB   CYS  19           HB2      CYS  19 -10.555   2.768  10.602
  146   2HB   CYS  19           HB1      CYS  19  -9.143   2.262  11.521
  147    H    GLY  20           HN       GLY  20 -12.194   0.781  11.356
  148   1HA   GLY  20           HA2      GLY  20 -13.188  -0.570  13.012
  149   2HA   GLY  20           HA1      GLY  20 -11.747  -1.578  12.991
  150    H    GLU  21           HN       GLU  21 -10.921   1.710  13.356
  151    HA   GLU  21           HA       GLU  21 -10.325   1.261  16.213
  152   1HB   GLU  21           HB2      GLU  21  -9.419   3.231  14.107
  153   2HB   GLU  21           HB1      GLU  21  -8.917   3.346  15.793
  154   1HG   GLU  21           HG2      GLU  21  -7.977   1.067  15.672
  155   2HG   GLU  21           HG1      GLU  21  -8.474   0.950  13.985
  156    H    ARG  22           HN       ARG  22 -11.741   2.103  17.691
  157    HA   ARG  22           HA       ARG  22 -13.740   4.083  16.927
  158   1HB   ARG  22           HB2      ARG  22 -13.008   2.637  19.481
  159   2HB   ARG  22           HB1      ARG  22 -14.357   3.767  19.376
  160   1HG   ARG  22           HG2      ARG  22 -15.359   2.402  17.576
  161   2HG   ARG  22           HG1      ARG  22 -14.015   1.265  17.698
  162   1HD   ARG  22           HD2      ARG  22 -14.618   0.790  20.052
  163   2HD   ARG  22           HD1      ARG  22 -15.978   1.924  19.926
  164    HE   ARG  22           HE       ARG  22 -16.925   0.450  18.161
  165   1HH1  ARG  22          HH11      ARG  22 -16.955  -1.255  20.562
  166   2HH1  ARG  22          HH12      ARG  22 -16.135  -2.687  20.036
  167   1HH2  ARG  22          HH21      ARG  22 -14.720  -1.173  17.255
  168   2HH2  ARG  22          HH22      ARG  22 -14.869  -2.641  18.163
  169    H    GLY  23           HN       GLY  23 -10.548   4.208  18.286
  170   1HA   GLY  23           HA2      GLY  23 -11.083   6.963  19.317
  171   2HA   GLY  23           HA1      GLY  23  -9.799   5.920  19.919
  172    H    PHE  24           HN       PHE  24 -10.850   7.729  17.040
  173    HA   PHE  24           HA       PHE  24  -8.225   7.533  15.741
  174   1HB   PHE  24           HB2      PHE  24 -10.905   8.738  15.253
  175   2HB   PHE  24           HB1      PHE  24  -9.541   9.505  14.443
  176    HD1  PHE  24           HD1      PHE  24  -8.032   8.129  12.976
  177    HD2  PHE  24           HD2      PHE  24 -11.734   6.611  14.538
  178    HE1  PHE  24           HE1      PHE  24  -8.007   6.324  11.276
  179    HE2  PHE  24           HE2      PHE  24 -11.709   4.804  12.838
  180    HZ   PHE  24           HZ       PHE  24  -9.846   4.661  11.208
  181    H    PHE  25           HN       PHE  25  -6.541   9.015  15.997
  182    HA   PHE  25           HA       PHE  25  -6.711  11.050  18.056
  183   1HB   PHE  25           HB2      PHE  25  -4.616  10.436  15.939
  184   2HB   PHE  25           HB1      PHE  25  -4.359  11.449  17.359
  185    HD1  PHE  25           HD1      PHE  25  -4.720   8.031  16.107
  186    HD2  PHE  25           HD2      PHE  25  -4.345  10.455  19.634
  187    HE1  PHE  25           HE1      PHE  25  -4.174   6.011  17.436
  188    HE2  PHE  25           HE2      PHE  25  -3.799   8.433  20.964
  189    HZ   PHE  25           HZ       PHE  25  -3.714   6.211  19.864
  190    H    TYR  26           HN       TYR  26  -5.944  11.188  14.583
  191    HA   TYR  26           HA       TYR  26  -6.149  12.933  13.017
  192   1HB   TYR  26           HB2      TYR  26  -8.689  12.301  14.346
  193   2HB   TYR  26           HB1      TYR  26  -8.698  13.880  13.565
  194    HD1  TYR  26           HD1      TYR  26  -7.033  13.566  11.215
  195    HD2  TYR  26           HD2      TYR  26  -9.794  10.775  12.959
  196    HE1  TYR  26           HE1      TYR  26  -7.317  12.470   9.011
  197    HE2  TYR  26           HE2      TYR  26 -10.074   9.677  10.755
  198    HH   TYR  26           HH       TYR  26  -9.809  10.341   8.325
  199    H    THR  27           HN       THR  27  -4.764  13.880  15.345
  200    HA   THR  27           HA       THR  27  -5.910  16.378  16.261
  201    HB   THR  27           HB       THR  27  -4.269  15.094  17.558
  202    HG1  THR  27           HG1      THR  27  -4.307  17.444  17.634
  203   1HG2  THR  27          HG21      THR  27  -2.982  14.792  15.079
  204   2HG2  THR  27          HG22      THR  27  -2.409  14.215  16.644
  205   3HG2  THR  27          HG23      THR  27  -1.893  15.791  16.043
  206    HA   PRO  28           HA       PRO  28  -4.527  18.338  12.437
  207   1HB   PRO  28           HB2      PRO  28  -6.354  20.364  12.446
  208   2HB   PRO  28           HB1      PRO  28  -6.744  18.716  11.922
  209   1HG   PRO  28           HG2      PRO  28  -7.562  20.136  14.337
  210   2HG   PRO  28           HG1      PRO  28  -8.252  18.690  13.592
  211   1HD   PRO  28           HD2      PRO  28  -6.484  18.866  15.857
  212   2HD   PRO  28           HD1      PRO  28  -7.247  17.423  15.160
  213    H    LYS  29           HN       LYS  29  -4.298  20.913  11.972
  214    HA   LYS  29           HA       LYS  29  -2.262  21.880  13.760
  215   1HB   LYS  29           HB2      LYS  29  -2.374  22.269  11.307
  216   2HB   LYS  29           HB1      LYS  29  -3.808  23.266  11.550
  217   1HG   LYS  29           HG2      LYS  29  -2.605  24.950  12.664
  218   2HG   LYS  29           HG1      LYS  29  -1.256  23.873  13.028
  219   1HD   LYS  29           HD2      LYS  29  -1.981  24.503  10.174
  220   2HD   LYS  29           HD1      LYS  29  -0.964  25.603  11.105
  221   1HE   LYS  29           HE2      LYS  29   0.712  23.921  11.446
  222   2HE   LYS  29           HE1      LYS  29  -0.362  22.641  10.849
  223   1HZ   LYS  29           HZ1      LYS  29   1.270  23.550   9.179
  224   2HZ   LYS  29           HZ2      LYS  29   0.385  24.999   9.213
  225   3HZ   LYS  29           HZ3      LYS  29  -0.355  23.560   8.694
  226    H    THR  30           HN       THR  30  -5.708  22.506  13.385
  227    HA   THR  30           HA       THR  30  -7.223  23.766  14.676
  228    HB   THR  30           HB       THR  30  -5.007  23.432  16.725
  229    HG1  THR  30           HG1      THR  30  -5.634  21.433  16.881
  230   1HG2  THR  30          HG21      THR  30  -6.961  23.442  18.314
  231   2HG2  THR  30          HG22      THR  30  -7.985  23.926  16.962
  232   3HG2  THR  30          HG23      THR  30  -6.686  24.986  17.507
  233    H    ARG  31           HN       ARG  31  -6.226  25.506  13.028
  234    HA   ARG  31           HA       ARG  31  -5.660  27.909  14.638
  235   1HB   ARG  31           HB2      ARG  31  -3.870  26.765  12.480
  236   2HB   ARG  31           HB1      ARG  31  -3.735  28.428  13.047
  237   1HG   ARG  31           HG2      ARG  31  -3.373  27.576  15.363
  238   2HG   ARG  31           HG1      ARG  31  -3.414  25.928  14.736
  239   1HD   ARG  31           HD2      ARG  31  -1.513  26.534  13.194
  240   2HD   ARG  31           HD1      ARG  31  -1.393  28.081  14.054
  241    HE   ARG  31           HE       ARG  31  -1.336  25.567  15.648
  242   1HH1  ARG  31          HH11      ARG  31   0.822  27.387  13.863
  243   2HH1  ARG  31          HH12      ARG  31   1.882  27.763  15.181
  244   1HH2  ARG  31          HH21      ARG  31  -0.244  26.483  17.604
  245   2HH2  ARG  31          HH22      ARG  31   1.278  27.250  17.298
  246    H    ARG  32           HN       ARG  32  -6.277  29.844  13.530
  247    HA   ARG  32           HA       ARG  32  -8.203  29.474  11.372
  248   1HB   ARG  32           HB2      ARG  32  -8.763  31.779  11.864
  249   2HB   ARG  32           HB1      ARG  32  -8.507  30.933  13.388
  250   1HG   ARG  32           HG2      ARG  32  -6.201  31.814  13.493
  251   2HG   ARG  32           HG1      ARG  32  -6.462  32.654  11.967
  252   1HD   ARG  32           HD2      ARG  32  -8.274  33.985  13.000
  253   2HD   ARG  32           HD1      ARG  32  -8.008  33.140  14.539
  254    HE   ARG  32           HE       ARG  32  -5.560  33.994  14.262
  255   1HH1  ARG  32          HH21      ARG  32  -7.324  35.489  11.922
  256   2HH1  ARG  32          HH22      ARG  32  -7.094  37.109  12.490
  257   1HH2  ARG  32          HH11      ARG  32  -5.706  36.132  15.515
  258   2HH2  ARG  32          HH12      ARG  32  -6.178  37.473  14.525
  259    H    TYR  33           HN       TYR  33  -4.855  30.169  11.482
  260    HA   TYR  33           HA       TYR  33  -4.713  31.943   9.183
  261   1HB   TYR  33           HB2      TYR  33  -2.957  30.647  11.131
  262   2HB   TYR  33           HB1      TYR  33  -2.244  30.696   9.520
  263    HD1  TYR  33           HD1      TYR  33  -2.343  32.960   8.253
  264    HD2  TYR  33           HD2      TYR  33  -2.909  32.568  12.493
  265    HE1  TYR  33           HE1      TYR  33  -1.818  35.365   8.544
  266    HE2  TYR  33           HE2      TYR  33  -2.383  34.975  12.785
  267    HH   TYR  33           HH       TYR  33  -1.129  36.744  11.552
  268    HA   PRO  34           HA       PRO  34  -3.344  28.004   6.835
  269   1HB   PRO  34           HB2      PRO  34  -3.945  25.563   7.920
  270   2HB   PRO  34           HB1      PRO  34  -2.404  26.399   8.202
  271   1HG   PRO  34           HG2      PRO  34  -4.809  26.226   9.946
  272   2HG   PRO  34           HG1      PRO  34  -3.096  26.160  10.379
  273   1HD   PRO  34           HD2      PRO  34  -4.617  28.365  10.710
  274   2HD   PRO  34           HD1      PRO  34  -2.872  28.441  10.397
  275    H    GLY  35           HN       GLY  35  -6.295  27.959   8.743
  276   1HA   GLY  35           HA2      GLY  35  -8.182  28.321   6.838
  277   2HA   GLY  35           HA1      GLY  35  -7.831  26.605   6.625
  278    H    ASP  36           HN       ASP  36  -9.600  28.879   8.430
  279    HA   ASP  36           HA       ASP  36  -9.996  27.275  10.839
  280   1HB   ASP  36           HB2      ASP  36 -11.695  29.031  11.294
  281   2HB   ASP  36           HB1      ASP  36 -10.165  29.737  10.778
  282    H    VAL  37           HN       VAL  37 -12.017  26.223  11.400
  283    HA   VAL  37           HA       VAL  37 -13.614  24.551  10.910
  284    HB   VAL  37           HB       VAL  37 -14.750  26.776  11.005
  285   1HG1  VAL  37          HG11      VAL  37 -14.357  26.631   8.009
  286   2HG1  VAL  37          HG12      VAL  37 -13.925  27.943   9.104
  287   3HG1  VAL  37          HG13      VAL  37 -15.619  27.616   8.744
  288   1HG2  VAL  37          HG21      VAL  37 -15.728  24.299   9.960
  289   2HG2  VAL  37          HG22      VAL  37 -16.530  25.601   9.084
  290   3HG2  VAL  37          HG23      VAL  37 -16.619  25.537  10.844
  291    H    LYS  38           HN       LYS  38 -11.322  24.413   9.076
  292    HA   LYS  38           HA       LYS  38 -12.645  22.921   6.868
  293   1HB   LYS  38           HB2      LYS  38 -12.314  25.283   6.136
  294   2HB   LYS  38           HB1      LYS  38 -10.592  25.128   6.486
  295   1HG   LYS  38           HG2      LYS  38 -10.627  23.107   4.889
  296   2HG   LYS  38           HG1      LYS  38 -12.202  23.705   4.365
  297   1HD   LYS  38           HD2      LYS  38 -11.053  25.968   4.000
  298   2HD   LYS  38           HD1      LYS  38  -9.528  25.099   4.175
  299   1HE   LYS  38           HE2      LYS  38 -10.198  23.576   2.321
  300   2HE   LYS  38           HE1      LYS  38 -11.683  24.525   2.110
  301   1HZ   LYS  38           HZ1      LYS  38  -8.887  25.495   1.877
  302   2HZ   LYS  38           HZ2      LYS  38 -10.237  26.524   1.928
  303   3HZ   LYS  38           HZ3      LYS  38 -10.051  25.425   0.646
  304    H    ARG  39           HN       ARG  39 -11.635  20.944   7.036
  305    HA   ARG  39           HA       ARG  39  -9.051  20.585   8.267
  306   1HB   ARG  39           HB2      ARG  39 -10.917  18.835   6.652
  307   2HB   ARG  39           HB1      ARG  39  -9.442  18.226   7.405
  308   1HG   ARG  39           HG2      ARG  39 -10.244  18.986   9.607
  309   2HG   ARG  39           HG1      ARG  39 -11.722  19.594   8.861
  310   1HD   ARG  39           HD2      ARG  39 -12.219  17.268   8.058
  311   2HD   ARG  39           HD1      ARG  39 -10.813  16.698   8.981
  312    HE   ARG  39           HE       ARG  39 -12.634  18.359  10.557
  313   1HH1  ARG  39          HH21      ARG  39 -14.448  16.229   9.716
  314   2HH1  ARG  39          HH22      ARG  39 -14.140  14.963  10.858
  315   1HH2  ARG  39          HH11      ARG  39 -11.110  16.287  11.905
  316   2HH2  ARG  39          HH12      ARG  39 -12.248  14.996  12.098
  317    H    GLY  40           HN       GLY  40 -10.246  20.609   4.931
  318   1HA   GLY  40           HA2      GLY  40  -8.995  21.254   2.994
  319   2HA   GLY  40           HA1      GLY  40  -7.513  21.157   3.948
  320    H    ILE  41           HN       ILE  41  -7.617  18.635   4.991
  321    HA   ILE  41           HA       ILE  41  -6.798  16.954   2.809
  322    HB   ILE  41           HB       ILE  41  -7.565  16.374   5.694
  323   1HG1  ILE  41          HG12      ILE  41  -4.811  16.752   4.493
  324   2HG1  ILE  41          HG11      ILE  41  -5.719  18.071   5.233
  325   1HG2  ILE  41          HG21      ILE  41  -7.519  14.317   4.340
  326   2HG2  ILE  41          HG22      ILE  41  -6.142  14.365   5.442
  327   3HG2  ILE  41          HG23      ILE  41  -5.918  14.743   3.734
  328   1HD1  ILE  41          HD11      ILE  41  -4.558  17.342   7.090
  329   2HD1  ILE  41          HD12      ILE  41  -4.466  15.679   6.510
  330   3HD1  ILE  41          HD13      ILE  41  -5.967  16.288   7.209
  331    H    VAL  42           HN       VAL  42  -9.775  17.125   4.754
  332    HA   VAL  42           HA       VAL  42 -11.048  14.807   3.655
  333    HB   VAL  42           HB       VAL  42 -13.067  15.790   4.669
  334   1HG1  VAL  42          HG11      VAL  42 -11.027  14.838   6.004
  335   2HG1  VAL  42          HG12      VAL  42 -12.316  15.668   6.875
  336   3HG1  VAL  42          HG13      VAL  42 -10.810  16.512   6.513
  337   1HG2  VAL  42          HG21      VAL  42 -12.761  18.062   5.809
  338   2HG2  VAL  42          HG22      VAL  42 -12.940  18.095   4.056
  339   3HG2  VAL  42          HG23      VAL  42 -11.345  18.278   4.782
  340    H    GLU  43           HN       GLU  43 -11.218  18.250   2.703
  341    HA   GLU  43           HA       GLU  43 -13.191  17.961   0.676
  342   1HB   GLU  43           HB2      GLU  43 -10.889  19.883   1.073
  343   2HB   GLU  43           HB1      GLU  43 -12.101  20.092  -0.192
  344   1HG   GLU  43           HG2      GLU  43 -13.885  20.099   1.520
  345   2HG   GLU  43           HG1      GLU  43 -12.673  19.903   2.783
  346    H    GLN  44           HN       GLN  44  -9.652  17.570   0.555
  347    HA   GLN  44           HA       GLN  44  -9.354  17.314  -2.271
  348   1HB   GLN  44           HB2      GLN  44  -7.516  17.576  -0.628
  349   2HB   GLN  44           HB1      GLN  44  -7.852  15.963   0.000
  350   1HG   GLN  44           HG2      GLN  44  -7.244  14.937  -2.097
  351   2HG   GLN  44           HG1      GLN  44  -7.137  16.507  -2.894
  352   1HE2  GLN  44          HE21      GLN  44  -5.201  17.742  -2.607
  353   2HE2  GLN  44          HE22      GLN  44  -3.858  17.164  -1.745
  354    H    CYS  45           HN       CYS  45 -10.150  14.883   0.224
  355    HA   CYS  45           HA       CYS  45 -10.276  12.685  -1.710
  356   1HB   CYS  45           HB2      CYS  45 -11.253  12.979   1.151
  357   2HB   CYS  45           HB1      CYS  45 -11.155  11.457   0.272
  358    H    CYS  46           HN       CYS  46 -12.490  14.991  -0.232
  359    HA   CYS  46           HA       CYS  46 -14.956  13.714  -1.027
  360   1HB   CYS  46           HB2      CYS  46 -14.338  15.629   0.686
  361   2HB   CYS  46           HB1      CYS  46 -14.647  16.659  -0.706
  362    H    THR  47           HN       THR  47 -12.981  16.320  -2.475
  363    HA   THR  47           HA       THR  47 -14.730  16.695  -4.771
  364    HB   THR  47           HB       THR  47 -11.809  17.395  -4.293
  365    HG1  THR  47           HG1      THR  47 -12.589  18.852  -3.026
  366   1HG2  THR  47          HG21      THR  47 -13.806  18.099  -6.410
  367   2HG2  THR  47          HG22      THR  47 -12.079  17.778  -6.565
  368   3HG2  THR  47          HG23      THR  47 -12.634  19.320  -5.913
  369    H    SER  48           HN       SER  48 -11.701  14.946  -4.178
  370    HA   SER  48           HA       SER  48 -12.168  13.356  -6.678
  371   1HB   SER  48           HB2      SER  48  -9.583  14.481  -5.540
  372   2HB   SER  48           HB1      SER  48  -9.678  13.415  -6.939
  373    HG   SER  48           HG       SER  48  -9.841  16.000  -6.953
  374    H    ILE  49           HN       ILE  49 -11.622  11.106  -6.425
  375    HA   ILE  49           HA       ILE  49 -11.787  10.050  -3.742
  376    HB   ILE  49           HB       ILE  49 -10.957   8.773  -6.373
  377   1HG1  ILE  49          HG12      ILE  49 -13.665   8.794  -5.010
  378   2HG1  ILE  49          HG11      ILE  49 -13.218   9.925  -6.287
  379   1HG2  ILE  49          HG21      ILE  49 -11.492   6.660  -5.348
  380   2HG2  ILE  49          HG22      ILE  49 -12.122   7.456  -3.905
  381   3HG2  ILE  49          HG23      ILE  49 -10.393   7.497  -4.251
  382   1HD1  ILE  49          HD11      ILE  49 -12.769   8.031  -7.809
  383   2HD1  ILE  49          HD12      ILE  49 -14.431   7.990  -7.218
  384   3HD1  ILE  49          HD13      ILE  49 -13.225   6.901  -6.534
  385    H    CYS  50           HN       CYS  50 -10.151   9.762  -2.294
  386    HA   CYS  50           HA       CYS  50  -7.396  10.422  -3.011
  387   1HB   CYS  50           HB2      CYS  50  -8.965   9.682  -0.560
  388   2HB   CYS  50           HB1      CYS  50  -7.203   9.588  -0.493
  389    H    SER  51           HN       SER  51  -5.592   8.912  -2.731
  390    HA   SER  51           HA       SER  51  -6.152   6.298  -3.887
  391   1HB   SER  51           HB2      SER  51  -3.737   6.162  -3.968
  392   2HB   SER  51           HB1      SER  51  -4.203   7.812  -4.369
  393    HG   SER  51           HG       SER  51  -2.941   6.787  -2.106
  394    H    LEU  52           HN       LEU  52  -5.383   4.279  -2.966
  395    HA   LEU  52           HA       LEU  52  -6.336   3.673  -0.369
  396   1HB   LEU  52           HB2      LEU  52  -6.018   2.068  -2.220
  397   2HB   LEU  52           HB1      LEU  52  -4.271   2.279  -2.106
  398    HG   LEU  52           HG       LEU  52  -4.436   1.500   0.301
  399   1HD1  LEU  52          HD11      LEU  52  -7.241   0.808  -0.620
  400   2HD1  LEU  52          HD12      LEU  52  -6.804   1.925   0.673
  401   3HD1  LEU  52          HD13      LEU  52  -6.499   0.198   0.859
  402   1HD2  LEU  52          HD21      LEU  52  -5.250  -0.943  -0.672
  403   2HD2  LEU  52          HD22      LEU  52  -3.627  -0.281  -0.865
  404   3HD2  LEU  52          HD23      LEU  52  -4.813  -0.096  -2.156
  405    H    TYR  53           HN       TYR  53  -3.058   4.423  -1.511
  406    HA   TYR  53           HA       TYR  53  -1.547   3.823   0.798
  407   1HB   TYR  53           HB2      TYR  53  -0.745   4.486  -1.476
  408   2HB   TYR  53           HB1      TYR  53  -1.220   6.136  -1.101
  409    HD1  TYR  53           HD1      TYR  53   0.004   7.476   0.541
  410    HD2  TYR  53           HD2      TYR  53   1.160   3.438  -0.358
  411    HE1  TYR  53           HE1      TYR  53   2.177   7.844   1.677
  412    HE2  TYR  53           HE2      TYR  53   3.332   3.805   0.780
  413    HH   TYR  53           HH       TYR  53   3.947   6.597   2.710
  414    H    GLN  54           HN       GLN  54  -3.365   6.779  -0.007
  415    HA   GLN  54           HA       GLN  54  -2.543   8.301   2.300
  416   1HB   GLN  54           HB2      GLN  54  -4.933   8.388   0.436
  417   2HB   GLN  54           HB1      GLN  54  -4.633   9.617   1.666
  418   1HG   GLN  54           HG2      GLN  54  -2.512  10.199   0.667
  419   2HG   GLN  54           HG1      GLN  54  -2.611   8.841  -0.453
  420   1HE2  GLN  54          HE21      GLN  54  -2.290  11.364  -1.569
  421   2HE2  GLN  54          HE22      GLN  54  -3.734  11.871  -2.305
  422    H    LEU  55           HN       LEU  55  -5.301   6.123   1.662
  423    HA   LEU  55           HA       LEU  55  -6.727   6.525   4.109
  424   1HB   LEU  55           HB2      LEU  55  -6.380   4.070   2.349
  425   2HB   LEU  55           HB1      LEU  55  -7.642   4.262   3.563
  426    HG   LEU  55           HG       LEU  55  -7.241   6.066   1.159
  427   1HD1  LEU  55          HD11      LEU  55  -8.130   3.635   0.867
  428   2HD1  LEU  55          HD12      LEU  55  -9.055   4.954   0.149
  429   3HD1  LEU  55          HD13      LEU  55  -9.580   4.236   1.671
  430   1HD2  LEU  55          HD21      LEU  55  -9.144   6.064   3.496
  431   2HD2  LEU  55          HD22      LEU  55  -9.646   6.738   1.946
  432   3HD2  LEU  55          HD23      LEU  55  -8.257   7.417   2.794
  433    H    GLU  56           HN       GLU  56  -4.065   4.354   3.236
  434    HA   GLU  56           HA       GLU  56  -3.903   2.829   5.641
  435   1HB   GLU  56           HB2      GLU  56  -1.861   3.740   3.588
  436   2HB   GLU  56           HB1      GLU  56  -1.494   2.563   4.849
  437   1HG   GLU  56           HG2      GLU  56  -3.205   1.053   4.025
  438   2HG   GLU  56           HG1      GLU  56  -3.765   2.256   2.866
  439    H    ASN  57           HN       ASN  57  -2.458   5.952   4.731
  440    HA   ASN  57           HA       ASN  57  -0.800   6.358   7.023
  441   1HB   ASN  57           HB2      ASN  57  -0.762   7.682   4.925
  442   2HB   ASN  57           HB1      ASN  57  -2.355   8.333   5.310
  443   1HD2  ASN  57          HD21      ASN  57  -2.401  10.212   6.578
  444   2HD2  ASN  57          HD22      ASN  57  -1.065  10.837   7.418
  445    H    TYR  58           HN       TYR  58  -4.151   7.440   6.394
  446    HA   TYR  58           HA       TYR  58  -4.649   8.675   8.911
  447   1HB   TYR  58           HB2      TYR  58  -6.542   7.209   7.043
  448   2HB   TYR  58           HB1      TYR  58  -7.010   8.397   8.256
  449    HD1  TYR  58           HD1      TYR  58  -4.800  10.417   7.911
  450    HD2  TYR  58           HD2      TYR  58  -7.123   8.259   5.008
  451    HE1  TYR  58           HE1      TYR  58  -4.418  12.226   6.258
  452    HE2  TYR  58           HE2      TYR  58  -6.738  10.069   3.359
  453    HH   TYR  58           HH       TYR  58  -6.196  12.591   3.489
  454    H    CYS  59           HN       CYS  59  -4.701   5.290   7.949
  455    HA   CYS  59           HA       CYS  59  -6.073   4.421  10.412
  456   1HB   CYS  59           HB2      CYS  59  -5.982   3.515   7.872
  457   2HB   CYS  59           HB1      CYS  59  -4.680   2.545   8.558
  458    H    ASN  60           HN       ASN  60  -3.905   5.737  11.307
  459    HA   ASN  60           HA       ASN  60  -1.478   4.160  11.504
  460   1HB   ASN  60           HB2      ASN  60  -2.637   6.482  13.078
  461   2HB   ASN  60           HB1      ASN  60  -1.001   5.866  13.317
  462   1HD2  ASN  60          HD21      ASN  60  -0.104   5.388  10.743
  463   2HD2  ASN  60          HD22      ASN  60  -0.121   6.820   9.831