*HEADER    ANTIMICROBIAL PEPTIDE                   27-MAR-15   2N1C              
*TITLE     STRUCTURE OF PVHCT, AN ANTIMICROBIAL PEPTIDE FROM SHRIMP LITOPENAEUS  
*TITLE    2 VANNAMEI                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEMOCYANIN SUBUNIT L2;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL REGION (UNP RESIDUES 654-676);                  
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LITOPENAEUS VANNAMEI;                           
*SOURCE   4 ORGANISM_COMMON: WHITE PACIFIC SHRIMP,WHITE SHRIMP;                  
*SOURCE   5 ORGANISM_TAXID: 6689                                                 
*KEYWDS    ANTIMICROBIAL PEPTIDE                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    V.W.PETIT, J.L.ROLLAND, A.BLOND, C.DJEDIAT, J.PEDUZZI, C.GOULARD,     
*AUTHOR   2 E.BACHERE, J.DUPONT, D.DESTOUMIEUX-GARZON, S.REBUFFAT                
*REVDAT   1   27-MAY-15 2N1C    0                                                


assign (resid   1 and  name   HB*) (resid   1 and  name   HD*) 2.4 0.6 1.1
assign (resid   1 and  name    HA) (resid   2 and  name    HN) 2.1 0.3 1.4
assign (resid   1 and  name    HA) (resid   1 and  name   HB*) 2.3 0.5 1.2
assign (resid   1 and  name   HB*) (resid   2 and  name    HN) 2.7 0.9 0.8
assign (resid   2 and  name    HN) (resid   1 and  name   HD*) 3.1 1.3 1.4
assign (resid   1 and  name   HB*) (resid   4 and  name    HN) 3.7 1.9 0.8
assign (resid   1 and  name   HD*) (resid   4 and  name   HD*) 2.9 1.1 0.6
assign (resid   2 and  name   HG*) (resid   2 and  name    HN) 2.7 0.9 0.8
assign (resid   2 and  name   HB*) (resid   2 and  name    HN) 2.9 1.1 0.6
assign (resid   2 and  name   HB1) (resid   2 and  name   HB2) 1.9 0.1 0.6
assign (resid   2 and  name   HB*) (resid   2 and  name   HG*) 2.5 0.7 1.0
assign (resid   2 and  name   HB*) (resid   3 and  name    HN) 2.6 0.8 0.9
assign (resid   2 and  name    HN) (resid   3 and  name    HN) 2.8 1.0 0.7
assign (resid   3 and  name    HA) (resid   3 and  name   HB*) 2.4 0.6 1.1
assign (resid   3 and  name   HB1) (resid   3 and  name   HB2) 1.8 0.0 0.7
assign (resid   3 and  name   HB*) (resid   3 and  name    HN) 2.6 0.8 0.9
assign (resid   3 and  name    HA) (resid   3 and  name    HN) 2.1 0.3 1.4
assign (resid   3 and  name    HA) (resid   4 and  name    HN) 2.0 0.2 0.5
assign (resid   3 and  name    HN) (resid   4 and  name    HN) 2.6 0.8 0.9
assign (resid   3 and  name   HB*) (resid   4 and  name    HN) 2.9 1.1 0.6
assign (resid   4 and  name   HB*) (resid   4 and  name    HN) 2.5 0.7 1.0
assign (resid   4 and  name   HB*) (resid   4 and  name   HD*) 2.6 0.8 0.9
assign (resid   4 and  name    HA) (resid   4 and  name   HB*) 2.4 0.6 1.1
assign (resid   4 and  name   HD*) (resid   4 and  name    HN) 2.6 0.8 0.9
assign (resid   4 and  name    HA) (resid   4 and  name   HD*) 2.1 0.3 1.4
assign (resid   4 and  name    HA) (resid   4 and  name    HG) 2.4 0.6 1.1
assign (resid   4 and  name    HG) (resid   4 and  name    HN) 2.3 0.5 1.2
assign (resid   4 and  name   HD*) (resid   5 and  name   HD*) 3.2 1.4 1.3
assign (resid   4 and  name   HB*) (resid   5 and  name   HD*) 3.0 1.2 0.5
assign (resid   4 and  name    HA) (resid   5 and  name   HD*) 2.3 0.5 1.2
assign (resid   4 and  name    HN) (resid   5 and  name   HD*) 3.5 1.7 1.0
assign (resid   4 and  name    HA) (resid   5 and  name   HG*) 3.0 1.2 0.5
assign (resid   5 and  name   HD*) (resid   5 and  name   HB*) 2.8 1.0 0.7
assign (resid   5 and  name    HA) (resid   5 and  name   HG*) 2.7 0.9 0.8
assign (resid   5 and  name    HA) (resid   5 and  name   HB*) 2.2 0.4 1.3
assign (resid   5 and  name    HA) (resid   5 and  name   HD*) 3.2 1.4 1.3
assign (resid   5 and  name   HD1) (resid   5 and  name   HD2) 1.9 0.1 0.6
assign (resid   5 and  name   HB*) (resid   5 and  name   HG*) 2.4 0.6 1.1
assign (resid   5 and  name   HD*) (resid   5 and  name   HG*) 2.4 0.6 1.1
assign (resid   5 and  name   HB1) (resid   5 and  name   HB2) 1.8 0.0 0.7
assign (resid   5 and  name   HD*) (resid   6 and  name    HN) 3.3 1.5 1.2
assign (resid   5 and  name    HA) (resid   6 and  name    HN) 1.9 0.1 0.6
assign (resid   5 and  name   HB*) (resid   6 and  name    HN) 2.5 0.7 1.0
assign (resid   5 and  name   HG*) (resid   6 and  name    HN) 3.1 1.3 1.4
assign (resid   6 and  name    HN) (resid   6 and  name  HD2*) 3.5 1.7 1.0
assign (resid   6 and  name   HB*) (resid   6 and  name  HD2*) 2.5 0.7 1.0
assign (resid   6 and  name  HD21) (resid   6 and  name  HD22) 1.8 0.0 0.7
assign (resid   6 and  name   HB*) (resid   6 and  name    HN) 2.3 0.5 1.2
assign (resid   6 and  name    HA) (resid   6 and  name    HN) 3.1 1.3 1.4
assign (resid   6 and  name   HB*) (resid   7 and  name    HN) 2.6 0.8 0.9
assign (resid   6 and  name   HB*) (resid   8 and  name    HN) 3.3 1.5 1.2
assign (resid   6 and  name    HA) (resid   9 and  name    HN) 3.2 1.4 1.3
assign (resid   7 and  name    HA) (resid   7 and  name   HB*) 3.0 1.2 0.5
assign (resid   7 and  name    HA) (resid   7 and  name    HN) 2.3 0.5 1.2
assign (resid   7 and  name   HB*) (resid   7 and  name    HN) 2.4 0.6 1.1
assign (resid   7 and  name    HA) (resid   8 and  name    HN) 2.4 0.6 1.1
assign (resid   7 and  name   HB*) (resid   8 and  name    HN) 2.5 0.7 1.0
assign (resid   7 and  name    HA) (resid   9 and  name    HN) 3.4 1.6 1.1
assign (resid   7 and  name    HA) (resid  10 and  name    HN) 2.9 1.1 0.6
assign (resid   7 and  name   HB*) (resid  10 and  name    HB) 3.1 1.3 1.4
assign (resid   7 and  name    HA) (resid  10 and  name    HB) 2.7 0.9 0.8
assign (resid   7 and  name    HA) (resid  10 and  name   HD*) 2.7 0.9 0.8
assign (resid   8 and  name   HA*) (resid   8 and  name    HN) 1.9 0.1 0.6
assign (resid   8 and  name   HA*) (resid   9 and  name    HN) 2.2 0.4 1.3
assign (resid   8 and  name    HN) (resid   9 and  name    HN) 2.4 0.6 1.1
assign (resid   8 and  name   HA*) (resid  10 and  name    HN) 3.1 1.3 1.4
assign (resid   9 and  name    HA) (resid   9 and  name    HN) 2.3 0.5 1.2
assign (resid   9 and  name   HB*) (resid   9 and  name    HN) 2.5 0.7 1.0
assign (resid   9 and  name    HN) (resid   9 and  name   HD2) 3.1 1.3 1.4
assign (resid   9 and  name    HA) (resid  10 and  name    HN) 2.2 0.4 1.3
assign (resid   9 and  name   HB*) (resid  10 and  name    HN) 2.7 0.9 0.8
assign (resid   9 and  name    HN) (resid  10 and  name    HN) 2.4 0.6 1.1
assign (resid   9 and  name    HA) (resid  12 and  name    HB) 3.1 1.3 1.4
assign (resid  10 and  name    HA) (resid  10 and  name  HG1*) 2.7 0.9 0.8
assign (resid  10 and  name  HG11) (resid  10 and  name  HG12) 2.0 0.2 0.5
assign (resid  10 and  name    HA) (resid  10 and  name   HD*) 2.6 0.8 0.9
assign (resid  10 and  name    HB) (resid  10 and  name  HG2*) 2.1 0.3 1.4
assign (resid  10 and  name  HG1*) (resid  10 and  name  HG2*) 2.8 1.0 0.7
assign (resid  10 and  name    HA) (resid  10 and  name  HG2*) 2.2 0.4 1.3
assign (resid  10 and  name    HA) (resid  10 and  name    HB) 2.3 0.5 1.2
assign (resid  10 and  name    HB) (resid  10 and  name  HG1*) 2.5 0.7 1.0
assign (resid  10 and  name    HB) (resid  10 and  name   HD*) 2.3 0.5 1.2
assign (resid  10 and  name  HG1*) (resid  10 and  name   HD*) 2.2 0.4 1.3
assign (resid  10 and  name    HA) (resid  10 and  name    HN) 2.3 0.5 1.2
assign (resid  10 and  name  HG1*) (resid  10 and  name    HN) 2.5 0.7 1.0
assign (resid  10 and  name    HB) (resid  10 and  name    HN) 2.1 0.3 1.4
assign (resid  10 and  name    HA) (resid  11 and  name    HN) 2.1 0.3 1.4
assign (resid  10 and  name    HB) (resid  11 and  name    HN) 2.3 0.5 1.2
assign (resid  10 and  name  HG1*) (resid  11 and  name    HN) 3.1 1.3 1.4
assign (resid  10 and  name  HG2*) (resid  11 and  name    HA) 2.8 1.0 0.7
assign (resid  10 and  name    HA) (resid  13 and  name   HB*) 2.6 0.8 0.9
assign (resid  11 and  name   HB*) (resid  11 and  name   HG*) 1.9 0.1 0.6
assign (resid  11 and  name  HE21) (resid  11 and  name  HE22) 1.8 0.0 0.7
assign (resid  11 and  name   HG*) (resid  11 and  name  HE2*) 2.9 1.1 0.6
assign (resid  11 and  name    HA) (resid  11 and  name   HB1) 2.4 0.6 1.1
assign (resid  11 and  name   HG*) (resid  11 and  name    HN) 2.5 0.7 1.0
assign (resid  11 and  name   HB*) (resid  11 and  name    HN) 2.4 0.6 1.1
assign (resid  11 and  name    HN) (resid  12 and  name   HG*) 3.2 1.4 1.3
assign (resid  11 and  name   HG*) (resid  12 and  name    HN) 2.9 1.1 0.6
assign (resid  11 and  name    HA) (resid  12 and  name    HN) 2.1 0.3 1.4
assign (resid  11 and  name    HN) (resid  12 and  name    HN) 2.2 0.4 1.3
assign (resid  11 and  name    HA) (resid  13 and  name    HN) 3.6 1.8 0.9
assign (resid  11 and  name    HN) (resid  13 and  name    HN) 3.4 1.6 1.1
assign (resid  12 and  name   HG*) (resid  12 and  name    HN) 2.1 0.3 1.4
assign (resid  12 and  name    HB) (resid  12 and  name    HN) 2.1 0.3 1.4
assign (resid  12 and  name    HA) (resid  12 and  name    HN) 2.3 0.5 1.2
assign (resid  12 and  name    HA) (resid  12 and  name   HG*) 2.3 0.5 1.2
assign (resid  12 and  name    HB) (resid  12 and  name  HG2*) 2.0 0.2 0.5
assign (resid  12 and  name    HB) (resid  12 and  name  HG1*) 2.0 0.2 0.5
assign (resid  12 and  name    HA) (resid  12 and  name    HB) 2.4 0.6 1.1
assign (resid  12 and  name    HN) (resid  13 and  name    HN) 2.3 0.5 1.2
assign (resid  12 and  name    HA) (resid  13 and  name    HN) 2.1 0.3 1.4
assign (resid  12 and  name   HG*) (resid  13 and  name    HN) 2.5 0.7 1.0
assign (resid  12 and  name    HB) (resid  13 and  name    HN) 2.5 0.7 1.0
assign (resid  12 and  name   HG*) (resid  13 and  name    HA) 2.9 1.1 0.6
assign (resid  12 and  name    HA) (resid  14 and  name    HN) 3.4 1.6 1.1
assign (resid  12 and  name   HG*) (resid  15 and  name   HB*) 2.8 1.0 0.7
assign (resid  12 and  name   HG*) (resid  15 and  name    HN) 3.7 1.9 0.8
assign (resid  12 and  name    HA) (resid  15 and  name    HN) 3.1 1.3 1.4
assign (resid  12 and  name    HA) (resid  15 and  name   HB*) 3.3 1.5 1.2
assign (resid  13 and  name   HD*) (resid  13 and  name    HN) 3.5 1.7 1.0
assign (resid  13 and  name    HA) (resid  13 and  name    HN) 2.4 0.6 1.1
assign (resid  13 and  name   HB*) (resid  13 and  name    HN) 2.2 0.4 1.3
assign (resid  13 and  name   HG*) (resid  13 and  name    HN) 2.5 0.7 1.0
assign (resid  13 and  name    HA) (resid  13 and  name   HD*) 2.6 0.8 0.9
assign (resid  13 and  name    HA) (resid  13 and  name   HG*) 2.5 0.7 1.0
assign (resid  13 and  name    HA) (resid  13 and  name   HB*) 2.0 0.2 0.5
assign (resid  13 and  name   HB*) (resid  13 and  name   HE*) 3.1 1.3 1.4
assign (resid  13 and  name   HB*) (resid  13 and  name   HD*) 2.4 0.6 1.1
assign (resid  13 and  name   HB*) (resid  13 and  name   HG*) 1.9 0.1 0.6
assign (resid  13 and  name   HG*) (resid  13 and  name   HD*) 2.0 0.2 0.5
assign (resid  13 and  name   HD*) (resid  13 and  name   HE*) 2.5 0.7 1.0
assign (resid  13 and  name   HG*) (resid  13 and  name   HE*) 2.7 0.9 0.8
assign (resid  13 and  name    HN) (resid  14 and  name   HG*) 3.9 2.1 0.6
assign (resid  13 and  name   HB*) (resid  14 and  name    HA) 3.2 1.4 1.3
assign (resid  13 and  name    HA) (resid  14 and  name    HN) 2.1 0.3 1.4
assign (resid  13 and  name   HB*) (resid  14 and  name    HN) 2.4 0.6 1.1
assign (resid  13 and  name   HD*) (resid  14 and  name    HN) 3.5 1.7 1.0
assign (resid  13 and  name   HG*) (resid  14 and  name    HN) 3.0 1.2 0.5
assign (resid  13 and  name    HA) (resid  15 and  name    HN) 2.9 1.1 0.6
assign (resid  13 and  name    HA) (resid  16 and  name    HN) 3.2 1.4 1.3
assign (resid  13 and  name    HA) (resid  16 and  name   HB*) 3.1 1.3 1.4
assign (resid  14 and  name    HA) (resid  14 and  name    HB) 2.2 0.4 1.3
assign (resid  14 and  name    HA) (resid  14 and  name    HN) 2.3 0.5 1.2
assign (resid  14 and  name    HB) (resid  14 and  name    HN) 2.2 0.4 1.3
assign (resid  14 and  name  HG1*) (resid  14 and  name  HG2*) 2.3 0.5 1.2
assign (resid  14 and  name    HB) (resid  14 and  name   HG*) 2.1 0.3 1.4
assign (resid  14 and  name    HA) (resid  14 and  name   HG*) 2.2 0.4 1.3
assign (resid  14 and  name   HG*) (resid  14 and  name    HN) 2.6 0.8 0.9
assign (resid  14 and  name    HN) (resid  15 and  name   HD*) 3.1 1.3 1.4
assign (resid  14 and  name    HN) (resid  15 and  name   HB*) 3.3 1.5 1.2
assign (resid  14 and  name    HA) (resid  15 and  name    HN) 2.3 0.5 1.2
assign (resid  14 and  name    HN) (resid  15 and  name    HN) 2.4 0.6 1.1
assign (resid  14 and  name  HG2*) (resid  15 and  name    HN) 2.7 0.9 0.8
assign (resid  14 and  name  HG1*) (resid  15 and  name    HN) 2.7 0.9 0.8
assign (resid  14 and  name    HB) (resid  15 and  name    HN) 2.3 0.5 1.2
assign (resid  14 and  name    HN) (resid  16 and  name    HN) 3.2 1.4 1.3
assign (resid  14 and  name   HG*) (resid  16 and  name    HN) 3.4 1.6 1.1
assign (resid  14 and  name    HA) (resid  17 and  name    HN) 3.0 1.2 0.5
assign (resid  14 and  name    HA) (resid  17 and  name   HB*) 3.0 1.2 0.5
assign (resid  15 and  name   HB1) (resid  15 and  name   HB2) 2.0 0.2 0.5
assign (resid  15 and  name    HA) (resid  15 and  name    HN) 2.5 0.7 1.0
assign (resid  15 and  name   HB2) (resid  15 and  name    HN) 2.3 0.5 1.2
assign (resid  15 and  name   HB*) (resid  15 and  name    HN) 2.4 0.6 1.1
assign (resid  15 and  name    HN) (resid  16 and  name    HN) 2.4 0.6 1.1
assign (resid  15 and  name    HN) (resid  16 and  name   HB*) 3.5 1.7 1.0
assign (resid  15 and  name   HB*) (resid  16 and  name    HN) 2.6 0.8 0.9
assign (resid  16 and  name    HN) (resid  16 and  name  HD2*) 3.7 1.9 0.8
assign (resid  16 and  name   HB*) (resid  16 and  name  HD2*) 2.7 0.9 0.8
assign (resid  16 and  name  HD21) (resid  16 and  name  HD22) 1.8 0.0 0.7
assign (resid  16 and  name   HB*) (resid  16 and  name    HN) 2.2 0.4 1.3
assign (resid  16 and  name    HN) (resid  17 and  name    HN) 3.1 1.3 1.4
assign (resid  16 and  name   HB*) (resid  17 and  name    HN) 3.1 1.3 1.4
assign (resid  17 and  name   HB*) (resid  17 and  name    HN) 2.5 0.7 1.0
assign (resid  17 and  name    HA) (resid  17 and  name    HN) 2.0 0.2 0.5
assign (resid  17 and  name   HB1) (resid  17 and  name   HB2) 1.8 0.0 0.7
assign (resid  17 and  name    HA) (resid  17 and  name   HB*) 2.2 0.4 1.3
assign (resid  17 and  name    HA) (resid  18 and  name    HN) 2.3 0.5 1.2
assign (resid  17 and  name   HB*) (resid  18 and  name    HN) 2.8 1.0 0.7
assign (resid  18 and  name   HA*) (resid  18 and  name    HN) 2.0 0.2 0.5
assign (resid  18 and  name   HA*) (resid  19 and  name    HN) 2.1 0.3 1.4
assign (resid  18 and  name    HN) (resid  19 and  name    HN) 2.4 0.6 1.1
assign (resid  19 and  name   HG*) (resid  19 and  name    HN) 2.5 0.7 1.0
assign (resid  19 and  name   HB*) (resid  19 and  name   HG*) 1.9 0.1 0.6
assign (resid  19 and  name    HA) (resid  19 and  name   HG*) 2.4 0.6 1.1
assign (resid  19 and  name    HN) (resid  20 and  name    HN) 2.6 0.8 0.9
assign (resid  19 and  name    HA) (resid  20 and  name    HN) 2.0 0.2 0.5
assign (resid  20 and  name    HA) (resid  20 and  name    HN) 2.4 0.6 1.1
assign (resid  20 and  name   HB*) (resid  20 and  name    HN) 2.8 1.0 0.7
assign (resid  20 and  name    HA) (resid  20 and  name   HB*) 2.5 0.7 1.0
assign (resid  20 and  name   HB*) (resid  21 and  name    HN) 2.9 1.1 0.6
assign (resid  20 and  name    HA) (resid  21 and  name    HN) 2.1 0.3 1.4
assign (resid  21 and  name    HA) (resid  21 and  name    HN) 2.6 0.8 0.9
assign (resid  21 and  name    HB) (resid  21 and  name    HN) 2.3 0.5 1.2
assign (resid  21 and  name  HG11) (resid  21 and  name    HN) 2.8 1.0 0.7
assign (resid  21 and  name  HG12) (resid  21 and  name    HN) 2.8 1.0 0.7
assign (resid  21 and  name    HA) (resid  21 and  name  HG2*) 2.4 0.6 1.1
assign (resid  21 and  name    HB) (resid  21 and  name  HG2*) 2.1 0.3 1.4
assign (resid  21 and  name    HA) (resid  21 and  name    HB) 2.6 0.8 0.9
assign (resid  21 and  name  HG11) (resid  21 and  name  HG12) 2.1 0.3 1.4
assign (resid  21 and  name    HB) (resid  21 and  name  HG1*) 2.9 1.1 0.6
assign (resid  21 and  name  HG2*) (resid  21 and  name    HN) 2.8 1.0 0.7
assign (resid  21 and  name  HG1*) (resid  21 and  name   HD*) 2.2 0.4 1.3
assign (resid  21 and  name    HA) (resid  21 and  name  HG1*) 3.0 1.2 0.5
assign (resid  21 and  name  HG2*) (resid  22 and  name    HN) 2.8 1.0 0.7
assign (resid  21 and  name  HG1*) (resid  22 and  name    HN) 3.7 1.9 0.8
assign (resid  21 and  name    HB) (resid  22 and  name    HN) 2.7 0.9 0.8
assign (resid  21 and  name    HA) (resid  22 and  name    HN) 2.1 0.3 1.4
assign (resid  21 and  name  HG2*) (resid  23 and  name    HN) 3.4 1.6 1.1
assign (resid  22 and  name    HN) (resid  23 and  name    HN) 2.9 1.1 0.6
assign (resid  22 and  name    HA) (resid  22 and  name    HN) 2.6 0.8 0.9
assign (resid  22 and  name    HA) (resid  23 and  name    HN) 2.2 0.4 1.3
assign (resid  23 and  name   HB*) (resid  23 and  name    HN) 2.9 1.1 0.6

assign (resid  11 and  name    HN)
(resid  10 and  name HG2* or resid   10 and  name  HD*) 2.4 0.6 1.1
assign (resid   7 and  name    HN)
(resid   4 and  name HB*   or resid   5 and  name  HB*) 3.4 1.6 1.1
assign (resid  17 and  name    HN)
(resid  17 and  name HD2   or resid  15 and  name  HD*) 3.2 1.4 1.3




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           1HT      PHE   1 -12.947   2.732  -3.349
    2    H2   PHE   1           2HT      PHE   1 -13.970   2.695  -4.704
    3    H3   PHE   1           3HT      PHE   1 -12.511   1.823  -4.716
    4    HA   PHE   1           HA       PHE   1 -14.344   0.390  -4.417
    5    HB2  PHE   1           2HB      PHE   1 -13.576  -0.874  -2.412
    6    HB3  PHE   1           1HB      PHE   1 -12.194  -0.265  -3.374
    7    HD1  PHE   1           2HD      PHE   1 -10.820   1.648  -2.534
    8    HD2  PHE   1           1HD      PHE   1 -13.949  -0.088  -0.159
    9    HE1  PHE   1           2HE      PHE   1  -9.881   2.716  -0.511
   10    HE2  PHE   1           1HE      PHE   1 -13.005   0.971   1.866
   11    HZ   PHE   1           HZ       PHE   1 -10.968   2.380   1.692
   12    H    GLU   2           H        GLU   2 -15.757  -0.608  -2.482
   13    HA   GLU   2           HA       GLU   2 -17.665   1.478  -1.842
   14    HB2  GLU   2           2HB      GLU   2 -17.780  -1.583  -1.550
   15    HB3  GLU   2           1HB      GLU   2 -19.120  -0.461  -1.122
   16    HG2  GLU   2           2HG      GLU   2 -17.893  -0.877  -3.933
   17    HG3  GLU   2           1HG      GLU   2 -19.454  -1.550  -3.343
   18    H    ASP   3           H        ASP   3 -16.776  -1.440   0.086
   19    HA   ASP   3           HA       ASP   3 -15.485   0.094   2.063
   20    HB2  ASP   3           2HB      ASP   3 -16.898  -0.631   3.994
   21    HB3  ASP   3           1HB      ASP   3 -17.595   0.682   2.991
   22    H    LEU   4           H        LEU   4 -13.797  -1.092   1.950
   23    HA   LEU   4           HA       LEU   4 -14.018  -4.013   2.061
   24    HB2  LEU   4           2HB      LEU   4 -11.615  -2.145   1.506
   25    HB3  LEU   4           1HB      LEU   4 -11.492  -3.936   1.561
   26    HG   LEU   4           HG       LEU   4 -13.185  -2.345  -0.453
   27   HD11  LEU   4          1HD1      LEU   4 -10.750  -1.932  -0.758
   28   HD12  LEU   4          2HD1      LEU   4 -11.420  -2.919  -2.110
   29   HD13  LEU   4          3HD1      LEU   4 -10.441  -3.708  -0.816
   30   HD21  LEU   4          3HD2      LEU   4 -12.485  -5.349  -0.349
   31   HD22  LEU   4          1HD2      LEU   4 -13.325  -4.508  -1.706
   32   HD23  LEU   4          2HD2      LEU   4 -14.116  -4.619  -0.094
   33    HA   PRO   5           HA       PRO   5 -12.614  -3.813   6.231
   34    HB2  PRO   5           2HB      PRO   5 -11.018  -6.336   5.617
   35    HB3  PRO   5           1HB      PRO   5 -12.268  -6.067   6.903
   36    HG2  PRO   5           2HG      PRO   5 -12.953  -7.511   4.698
   37    HG3  PRO   5           1HG      PRO   5 -14.070  -6.149   5.181
   38    HD2  PRO   5           2HD      PRO   5 -11.805  -5.949   3.162
   39    HD3  PRO   5           1HD      PRO   5 -13.596  -5.674   2.929
   40    H    ASN   6           H        ASN   6 -10.504  -4.439   7.507
   41    HA   ASN   6           HA       ASN   6  -8.670  -2.400   6.940
   42    HB2  ASN   6           2HB      ASN   6  -8.369  -4.778   8.887
   43    HB3  ASN   6           1HB      ASN   6  -7.329  -3.304   8.877
   44   HD21  ASN   6          1HD2      ASN   6 -10.073  -4.695  10.300
   45   HD22  ASN   6          2HD2      ASN   6 -10.842  -3.243  10.908
   46    H    PHE   7           H        PHE   7  -8.303  -6.004   6.782
   47    HA   PHE   7           HA       PHE   7  -5.716  -5.755   5.581
   48    HB2  PHE   7           2HB      PHE   7  -6.332  -7.626   7.202
   49    HB3  PHE   7           1HB      PHE   7  -7.461  -8.276   5.958
   50    HD1  PHE   7           1HD      PHE   7  -3.858  -7.112   6.300
   51    HD2  PHE   7           2HD      PHE   7  -6.584  -9.923   4.519
   52    HE1  PHE   7           1HE      PHE   7  -1.963  -8.260   5.207
   53    HE2  PHE   7           2HE      PHE   7  -4.682 -11.073   3.433
   54    HZ   PHE   7           HZ       PHE   7  -2.370 -10.240   3.769
   55    H    GLY   8           H        GLY   8  -8.980  -5.618   4.453
   56    HA2  GLY   8           2HA      GLY   8  -8.675  -6.888   1.957
   57    HA3  GLY   8           1HA      GLY   8  -9.916  -5.690   2.477
   58    H    HIS   9           H        HIS   9  -7.972  -3.608   3.187
   59    HA   HIS   9           HA       HIS   9  -7.553  -2.432   0.686
   60    HB2  HIS   9           2HB      HIS   9  -8.043  -1.396   3.039
   61    HB3  HIS   9           1HB      HIS   9  -6.294  -1.573   3.367
   62    HD1  HIS   9           1HD      HIS   9  -4.747   0.049   1.659
   63    HD2  HIS   9           2HD      HIS   9  -8.898   0.456   1.364
   64    HE1  HIS   9           1HE      HIS   9  -5.219   2.176   0.319
   65    H    ILE  10           H        ILE  10  -5.563  -4.136   3.050
   66    HA   ILE  10           HA       ILE  10  -3.072  -3.254   2.136
   67    HB   ILE  10           HB       ILE  10  -3.835  -5.448   4.045
   68   HG12  ILE  10          2HG1      ILE  10  -3.014  -2.474   4.171
   69   HG13  ILE  10          1HG1      ILE  10  -4.559  -3.212   4.713
   70   HG21  ILE  10          1HG2      ILE  10  -1.415  -5.345   4.757
   71   HG22  ILE  10          2HG2      ILE  10  -1.060  -4.243   3.371
   72   HG23  ILE  10          3HG2      ILE  10  -1.572  -5.953   3.092
   73   HD11  ILE  10          3HD1      ILE  10  -1.782  -3.526   5.969
   74   HD12  ILE  10          1HD1      ILE  10  -3.232  -4.485   6.486
   75   HD13  ILE  10          2HD1      ILE  10  -3.214  -2.683   6.666
   76    H    GLN  11           H        GLN  11  -5.033  -6.128   1.489
   77    HA   GLN  11           HA       GLN  11  -2.916  -7.584   0.264
   78    HB2  GLN  11           2HB      GLN  11  -4.567  -9.294  -0.245
   79    HB3  GLN  11           1HB      GLN  11  -4.754  -8.707   1.441
   80    HG2  GLN  11           2HG      GLN  11  -6.670  -7.216   0.666
   81    HG3  GLN  11           1HG      GLN  11  -6.531  -7.944  -0.978
   82   HE21  GLN  11          1HE2      GLN  11  -8.913  -8.341  -0.147
   83   HE22  GLN  11          2HE2      GLN  11  -9.205  -9.906   0.583
   84    H    VAL  12           H        VAL  12  -4.758  -4.949  -0.864
   85    HA   VAL  12           HA       VAL  12  -4.514  -5.781  -3.661
   86    HB   VAL  12           HB       VAL  12  -6.077  -3.469  -2.415
   87   HG11  VAL  12          1HG1      VAL  12  -5.320  -2.882  -4.716
   88   HG12  VAL  12          2HG1      VAL  12  -7.061  -3.325  -4.772
   89   HG13  VAL  12          3HG1      VAL  12  -5.810  -4.504  -5.327
   90   HG21  VAL  12          3HG2      VAL  12  -7.071  -5.706  -1.872
   91   HG22  VAL  12          1HG2      VAL  12  -6.979  -6.179  -3.607
   92   HG23  VAL  12          2HG2      VAL  12  -8.075  -4.844  -3.089
   93    H    LYS  13           H        LYS  13  -3.491  -3.488  -1.171
   94    HA   LYS  13           HA       LYS  13  -2.347  -1.685  -3.055
   95    HB2  LYS  13           2HB      LYS  13  -1.817  -0.267  -1.262
   96    HB3  LYS  13           1HB      LYS  13  -3.366  -1.084  -0.775
   97    HG2  LYS  13           2HG      LYS  13  -2.272  -1.251   1.214
   98    HG3  LYS  13           1HG      LYS  13  -1.609  -2.733   0.446
   99    HD2  LYS  13           2HD      LYS  13   0.315  -1.246  -0.404
  100    HD3  LYS  13           1HD      LYS  13  -0.319   0.056   0.644
  101    HE2  LYS  13           2HE      LYS  13   0.018  -1.411   2.684
  102    HE3  LYS  13           1HE      LYS  13   0.628  -2.742   1.616
  103    HZ1  LYS  13           3HZ      LYS  13   2.406  -1.500   2.613
  104    HZ2  LYS  13           1HZ      LYS  13   1.849  -0.050   1.927
  105    HZ3  LYS  13           2HZ      LYS  13   2.417  -1.299   0.926
  106    H    VAL  14           H        VAL  14  -1.225  -4.351  -1.479
  107    HA   VAL  14           HA       VAL  14   1.471  -3.837  -1.427
  108    HB   VAL  14           HB       VAL  14   0.251  -5.654  -0.342
  109   HG11  VAL  14          1HG1      VAL  14  -1.343  -6.294  -2.119
  110   HG12  VAL  14          2HG1      VAL  14  -0.493  -7.711  -1.410
  111   HG13  VAL  14          3HG1      VAL  14  -0.011  -7.098  -3.027
  112   HG21  VAL  14          3HG2      VAL  14   1.997  -7.458  -0.671
  113   HG22  VAL  14          1HG2      VAL  14   2.764  -5.816  -0.722
  114   HG23  VAL  14          2HG2      VAL  14   2.424  -6.708  -2.257
  115    H    PHE  15           H        PHE  15  -0.618  -4.787  -3.783
  116    HA   PHE  15           HA       PHE  15   1.230  -5.594  -5.881
  117    HB2  PHE  15           2HB      PHE  15  -1.793  -4.981  -6.044
  118    HB3  PHE  15           1HB      PHE  15  -0.805  -5.441  -7.479
  119    HD1  PHE  15           2HD      PHE  15   0.628  -7.576  -7.310
  120    HD2  PHE  15           1HD      PHE  15  -2.690  -6.738  -4.716
  121    HE1  PHE  15           2HE      PHE  15   0.412  -9.987  -6.815
  122    HE2  PHE  15           1HE      PHE  15  -2.908  -9.158  -4.221
  123    HZ   PHE  15           HZ       PHE  15  -1.355 -10.782  -5.264
  124    H    ASN  16           H        ASN  16  -0.638  -2.637  -5.136
  125    HA   ASN  16           HA       ASN  16   0.130  -1.245  -7.455
  126    HB2  ASN  16           2HB      ASN  16  -1.941  -0.803  -6.039
  127    HB3  ASN  16           1HB      ASN  16  -0.879  -0.160  -4.745
  128   HD21  ASN  16          1HD2      ASN  16  -0.584   2.039  -4.802
  129   HD22  ASN  16          2HD2      ASN  16  -0.780   3.077  -6.200
  130    H    HIS  17           H        HIS  17   1.532  -1.621  -4.147
  131    HA   HIS  17           HA       HIS  17   3.224   0.414  -4.170
  132    HB2  HIS  17           2HB      HIS  17   2.505  -0.655  -2.117
  133    HB3  HIS  17           1HB      HIS  17   3.069  -2.251  -2.711
  134    HD1  HIS  17           1HD      HIS  17   4.725   1.099  -1.640
  135    HD2  HIS  17           2HD      HIS  17   5.467  -3.008  -1.947
  136    HE1  HIS  17           1HE      HIS  17   7.019   0.647  -0.606
  137    H    GLY  18           H        GLY  18   3.371  -2.832  -5.518
  138    HA2  GLY  18           2HA      GLY  18   6.210  -2.836  -5.981
  139    HA3  GLY  18           1HA      GLY  18   4.954  -4.019  -6.515
  140    H    GLU  19           H        GLU  19   4.005  -3.831  -8.509
  141    HA   GLU  19           HA       GLU  19   3.809  -3.404 -10.570
  142    HB2  GLU  19           2HB      GLU  19   4.236  -0.442  -9.894
  143    HB3  GLU  19           1HB      GLU  19   3.645  -1.034 -11.480
  144    HG2  GLU  19           2HG      GLU  19   2.196  -1.496  -8.792
  145    HG3  GLU  19           1HG      GLU  19   1.829  -0.163  -9.944
  146    H    HIS  20           H        HIS  20   6.055  -4.404  -9.889
  147    HA   HIS  20           HA       HIS  20   7.750  -3.825 -12.123
  148    HB2  HIS  20           2HB      HIS  20   8.870  -3.647  -9.232
  149    HB3  HIS  20           1HB      HIS  20   9.876  -3.906 -10.705
  150    HD1  HIS  20           1HD      HIS  20   7.968  -1.207  -8.851
  151    HD2  HIS  20           2HD      HIS  20  10.233  -1.621 -12.358
  152    HE1  HIS  20           1HE      HIS  20   8.505   1.130  -9.729
  153    H    ILE  21           H        ILE  21   8.867  -5.502  -9.234
  154    HA   ILE  21           HA       ILE  21   7.532  -7.968 -10.018
  155    HB   ILE  21           HB       ILE  21   8.853  -8.745  -7.851
  156   HG12  ILE  21          2HG1      ILE  21  11.152  -7.787  -7.837
  157   HG13  ILE  21          1HG1      ILE  21  10.639  -6.436  -8.888
  158   HG21  ILE  21          1HG2      ILE  21  10.065  -8.342 -10.655
  159   HG22  ILE  21          2HG2      ILE  21   8.924  -9.648 -10.154
  160   HG23  ILE  21          3HG2      ILE  21  10.580  -9.571  -9.434
  161   HD11  ILE  21          3HD1      ILE  21  10.813  -5.848  -6.424
  162   HD12  ILE  21          1HD1      ILE  21   9.494  -7.025  -6.067
  163   HD13  ILE  21          2HD1      ILE  21   9.164  -5.562  -7.075
  164    H    HIS  22           H        HIS  22   6.309  -9.035  -8.333
  165    HA   HIS  22           HA       HIS  22   4.484  -9.082  -7.237
  166    HB2  HIS  22           2HB      HIS  22   5.995  -8.147  -5.344
  167    HB3  HIS  22           1HB      HIS  22   5.119  -6.602  -5.568
  168    HD1  HIS  22           1HD      HIS  22   2.239  -7.177  -5.430
  169    HD2  HIS  22           2HD      HIS  22   4.888  -9.861  -3.594
  170    HE1  HIS  22           1HE      HIS  22   0.907  -8.612  -3.790
  171    H    HIS  23           H        HIS  23   4.320  -8.156  -9.688
  172    HA   HIS  23           HA       HIS  23   3.100  -5.600  -9.901
  173    HB2  HIS  23           2HB      HIS  23   4.491  -6.608 -11.725
  174    HB3  HIS  23           1HB      HIS  23   3.283  -7.920 -11.909
  175    HD1  HIS  23           1HD      HIS  23   3.477  -4.077 -12.260
  176    HD2  HIS  23           2HD      HIS  23   1.227  -7.320 -13.683
  177    HE1  HIS  23           1HE      HIS  23   1.875  -3.208 -14.050
  Start of MODEL    2
    1    H1   PHE   1           1HT      PHE   1 -17.361  -6.533  -4.101
    2    H2   PHE   1           2HT      PHE   1 -18.534  -7.749  -4.277
    3    H3   PHE   1           3HT      PHE   1 -16.882  -8.148  -4.328
    4    HA   PHE   1           HA       PHE   1 -17.847  -8.773  -2.275
    5    HB2  PHE   1           2HB      PHE   1 -16.224  -7.674  -0.690
    6    HB3  PHE   1           1HB      PHE   1 -15.463  -8.190  -2.227
    7    HD1  PHE   1           1HD      PHE   1 -16.603  -5.247  -0.246
    8    HD2  PHE   1           2HD      PHE   1 -14.550  -6.573  -3.778
    9    HE1  PHE   1           1HE      PHE   1 -15.698  -2.972  -0.568
   10    HE2  PHE   1           2HE      PHE   1 -13.637  -4.297  -4.098
   11    HZ   PHE   1           HZ       PHE   1 -14.207  -2.492  -2.494
   12    H    GLU   2           H        GLU   2 -18.423  -7.970   0.006
   13    HA   GLU   2           HA       GLU   2 -20.616  -6.062  -0.239
   14    HB2  GLU   2           2HB      GLU   2 -19.808  -7.979   2.034
   15    HB3  GLU   2           1HB      GLU   2 -21.226  -6.875   2.068
   16    HG2  GLU   2           2HG      GLU   2 -20.766  -9.223   0.104
   17    HG3  GLU   2           1HG      GLU   2 -21.862  -9.228   1.532
   18    H    ASP   3           H        ASP   3 -18.135  -6.850   2.295
   19    HA   ASP   3           HA       ASP   3 -16.914  -4.353   2.079
   20    HB2  ASP   3           2HB      ASP   3 -17.250  -3.576   4.449
   21    HB3  ASP   3           1HB      ASP   3 -18.683  -3.346   3.393
   22    H    LEU   4           H        LEU   4 -15.010  -5.223   1.995
   23    HA   LEU   4           HA       LEU   4 -14.308  -7.465   3.672
   24    HB2  LEU   4           2HB      LEU   4 -12.022  -7.253   2.380
   25    HB3  LEU   4           1HB      LEU   4 -13.475  -7.965   1.631
   26    HG   LEU   4           HG       LEU   4 -14.001  -5.877   0.501
   27   HD11  LEU   4          1HD1      LEU   4 -12.944  -4.125   1.871
   28   HD12  LEU   4          2HD1      LEU   4 -12.245  -4.073   0.219
   29   HD13  LEU   4          3HD1      LEU   4 -11.306  -4.816   1.568
   30   HD21  LEU   4          3HD2      LEU   4 -12.721  -7.668  -0.639
   31   HD22  LEU   4          1HD2      LEU   4 -11.166  -6.939  -0.084
   32   HD23  LEU   4          2HD2      LEU   4 -12.221  -6.045  -1.244
   33    HA   PRO   5           HA       PRO   5 -12.503  -5.132   6.751
   34    HB2  PRO   5           2HB      PRO   5 -10.032  -6.927   6.722
   35    HB3  PRO   5           1HB      PRO   5 -11.161  -6.568   8.096
   36    HG2  PRO   5           2HG      PRO   5 -11.365  -8.954   6.824
   37    HG3  PRO   5           1HG      PRO   5 -12.900  -7.996   7.058
   38    HD2  PRO   5           2HD      PRO   5 -11.104  -7.963   4.579
   39    HD3  PRO   5           1HD      PRO   5 -12.873  -8.392   4.707
   40    H    ASN   6           H        ASN   6 -10.242  -4.480   7.743
   41    HA   ASN   6           HA       ASN   6  -9.130  -2.432   6.101
   42    HB2  ASN   6           2HB      ASN   6  -8.205  -3.521   8.834
   43    HB3  ASN   6           1HB      ASN   6  -7.591  -2.011   8.058
   44   HD21  ASN   6          1HD2      ASN   6  -9.824  -3.173  10.304
   45   HD22  ASN   6          2HD2      ASN   6 -10.966  -1.844  10.292
   46    H    PHE   7           H        PHE   7  -8.230  -5.736   7.022
   47    HA   PHE   7           HA       PHE   7  -5.605  -5.588   5.886
   48    HB2  PHE   7           2HB      PHE   7  -6.241  -7.130   7.829
   49    HB3  PHE   7           1HB      PHE   7  -7.278  -8.064   6.691
   50    HD1  PHE   7           1HD      PHE   7  -3.752  -6.833   7.238
   51    HD2  PHE   7           2HD      PHE   7  -6.268  -9.780   5.377
   52    HE1  PHE   7           1HE      PHE   7  -1.748  -8.099   6.532
   53    HE2  PHE   7           2HE      PHE   7  -4.262 -11.046   4.673
   54    HZ   PHE   7           HZ       PHE   7  -1.999 -10.207   5.247
   55    H    GLY   8           H        GLY   8  -8.904  -6.160   4.854
   56    HA2  GLY   8           2HA      GLY   8  -8.279  -7.570   2.447
   57    HA3  GLY   8           1HA      GLY   8  -9.834  -6.825   2.976
   58    H    HIS   9           H        HIS   9  -8.108  -4.262   3.481
   59    HA   HIS   9           HA       HIS   9  -8.341  -3.176   0.798
   60    HB2  HIS   9           2HB      HIS   9  -7.592  -1.871   3.482
   61    HB3  HIS   9           1HB      HIS   9  -7.784  -0.989   1.925
   62    HD1  HIS   9           1HD      HIS   9  -9.582  -0.882   4.754
   63    HD2  HIS   9           2HD      HIS   9 -10.703  -2.255   0.953
   64    HE1  HIS   9           1HE      HIS   9 -12.125  -0.725   4.572
   65    H    ILE  10           H        ILE  10  -6.015  -4.115   3.273
   66    HA   ILE  10           HA       ILE  10  -3.813  -2.717   2.237
   67    HB   ILE  10           HB       ILE  10  -4.524  -3.969   4.588
   68   HG12  ILE  10          2HG1      ILE  10  -1.818  -2.721   3.797
   69   HG13  ILE  10          1HG1      ILE  10  -3.337  -1.784   4.028
   70   HG21  ILE  10          1HG2      ILE  10  -2.629  -5.391   5.245
   71   HG22  ILE  10          2HG2      ILE  10  -1.929  -5.309   3.593
   72   HG23  ILE  10          3HG2      ILE  10  -3.512  -6.138   3.878
   73   HD11  ILE  10          3HD1      ILE  10  -1.945  -3.466   6.196
   74   HD12  ILE  10          1HD1      ILE  10  -3.525  -2.601   6.366
   75   HD13  ILE  10          2HD1      ILE  10  -2.008  -1.664   6.073
   76    H    GLN  11           H        GLN  11  -5.114  -5.927   1.708
   77    HA   GLN  11           HA       GLN  11  -2.750  -6.961   0.514
   78    HB2  GLN  11           2HB      GLN  11  -3.995  -8.994   0.056
   79    HB3  GLN  11           1HB      GLN  11  -4.239  -8.415   1.724
   80    HG2  GLN  11           2HG      GLN  11  -6.374  -9.122   1.138
   81    HG3  GLN  11           1HG      GLN  11  -6.464  -7.339   0.931
   82   HE21  GLN  11          1HE2      GLN  11  -7.987  -7.155  -0.708
   83   HE22  GLN  11          2HE2      GLN  11  -7.888  -7.929  -2.277
   84    H    VAL  12           H        VAL  12  -4.996  -4.714  -0.643
   85    HA   VAL  12           HA       VAL  12  -4.879  -5.542  -3.402
   86    HB   VAL  12           HB       VAL  12  -5.838  -2.890  -2.211
   87   HG11  VAL  12          1HG1      VAL  12  -7.047  -2.738  -4.442
   88   HG12  VAL  12          2HG1      VAL  12  -6.180  -4.224  -4.990
   89   HG13  VAL  12          3HG1      VAL  12  -5.261  -2.716  -4.639
   90   HG21  VAL  12          3HG2      VAL  12  -7.397  -5.454  -2.946
   91   HG22  VAL  12          1HG2      VAL  12  -8.132  -3.871  -2.500
   92   HG23  VAL  12          2HG2      VAL  12  -7.170  -4.778  -1.286
   93    H    LYS  13           H        LYS  13  -3.369  -3.287  -1.154
   94    HA   LYS  13           HA       LYS  13  -2.297  -1.524  -3.040
   95    HB2  LYS  13           2HB      LYS  13  -1.219  -1.918  -0.168
   96    HB3  LYS  13           1HB      LYS  13  -1.246  -0.388  -1.119
   97    HG2  LYS  13           2HG      LYS  13  -3.511  -2.020   0.085
   98    HG3  LYS  13           1HG      LYS  13  -2.912  -0.459   0.735
   99    HD2  LYS  13           2HD      LYS  13  -4.416  -0.813  -1.955
  100    HD3  LYS  13           1HD      LYS  13  -5.128  -0.282  -0.402
  101    HE2  LYS  13           2HE      LYS  13  -4.825   1.719  -1.668
  102    HE3  LYS  13           1HE      LYS  13  -3.521   1.735  -0.415
  103    HZ1  LYS  13           3HZ      LYS  13  -2.733   2.394  -2.573
  104    HZ2  LYS  13           1HZ      LYS  13  -3.238   0.928  -3.268
  105    HZ3  LYS  13           2HZ      LYS  13  -1.998   0.935  -2.107
  106    H    VAL  14           H        VAL  14  -1.300  -4.364  -1.822
  107    HA   VAL  14           HA       VAL  14   1.447  -4.609  -2.030
  108    HB   VAL  14           HB       VAL  14  -0.671  -6.586  -3.081
  109   HG11  VAL  14          1HG1      VAL  14   1.074  -8.320  -2.455
  110   HG12  VAL  14          2HG1      VAL  14   2.260  -6.984  -2.174
  111   HG13  VAL  14          3HG1      VAL  14   1.566  -7.262  -3.822
  112   HG21  VAL  14          3HG2      VAL  14  -0.532  -7.526  -0.744
  113   HG22  VAL  14          1HG2      VAL  14  -1.243  -5.881  -0.849
  114   HG23  VAL  14          2HG2      VAL  14   0.456  -6.087  -0.259
  115    H    PHE  15           H        PHE  15  -0.982  -4.492  -4.472
  116    HA   PHE  15           HA       PHE  15   0.334  -5.425  -6.689
  117    HB2  PHE  15           2HB      PHE  15  -1.455  -4.811  -7.997
  118    HB3  PHE  15           1HB      PHE  15  -2.192  -4.876  -6.357
  119    HD1  PHE  15           1HD      PHE  15  -1.705  -2.205  -5.190
  120    HD2  PHE  15           2HD      PHE  15  -2.589  -3.289  -9.254
  121    HE1  PHE  15           1HE      PHE  15  -2.732  -0.002  -5.549
  122    HE2  PHE  15           2HE      PHE  15  -3.601  -1.067  -9.618
  123    HZ   PHE  15           HZ       PHE  15  -3.679   0.583  -7.767
  124    H    ASN  16           H        ASN  16   0.391  -2.225  -5.331
  125    HA   ASN  16           HA       ASN  16   1.835  -1.018  -7.515
  126    HB2  ASN  16           2HB      ASN  16   0.053   0.217  -6.177
  127    HB3  ASN  16           1HB      ASN  16   1.082   0.073  -4.718
  128   HD21  ASN  16          1HD2      ASN  16   1.256   1.195  -8.183
  129   HD22  ASN  16          2HD2      ASN  16   2.227   2.619  -7.866
  130    H    HIS  17           H        HIS  17   2.355  -1.872  -4.026
  131    HA   HIS  17           HA       HIS  17   4.798  -0.997  -3.741
  132    HB2  HIS  17           2HB      HIS  17   3.247  -1.656  -1.937
  133    HB3  HIS  17           1HB      HIS  17   3.498  -3.386  -2.344
  134    HD1  HIS  17           1HD      HIS  17   5.701  -4.462  -1.379
  135    HD2  HIS  17           2HD      HIS  17   5.413  -0.349  -0.599
  136    HE1  HIS  17           1HE      HIS  17   7.504  -3.849   0.321
  137    H    GLY  18           H        GLY  18   6.909  -2.001  -3.585
  138    HA2  GLY  18           2HA      GLY  18   7.378  -4.659  -4.351
  139    HA3  GLY  18           1HA      GLY  18   7.673  -3.501  -5.720
  140    H    GLU  19           H        GLU  19   8.007  -2.626  -2.307
  141    HA   GLU  19           HA       GLU  19  10.934  -2.486  -2.626
  142    HB2  GLU  19           2HB      GLU  19   9.049  -0.708  -0.968
  143    HB3  GLU  19           1HB      GLU  19  10.852  -0.629  -0.948
  144    HG2  GLU  19           2HG      GLU  19  10.851  -0.019  -3.382
  145    HG3  GLU  19           1HG      GLU  19   9.048  -0.055  -3.397
  146    H    HIS  20           H        HIS  20  10.426  -4.866  -2.045
  147    HA   HIS  20           HA       HIS  20   9.755  -5.268   0.753
  148    HB2  HIS  20           2HB      HIS  20  10.329  -7.273  -1.509
  149    HB3  HIS  20           1HB      HIS  20   9.875  -7.696   0.184
  150    HD1  HIS  20           1HD      HIS  20   8.391  -5.952  -2.910
  151    HD2  HIS  20           2HD      HIS  20   7.146  -7.695   0.697
  152    HE1  HIS  20           1HE      HIS  20   5.842  -6.098  -2.939
  153    H    ILE  21           H        ILE  21  12.077  -7.354  -0.874
  154    HA   ILE  21           HA       ILE  21  14.174  -6.551   0.933
  155    HB   ILE  21           HB       ILE  21  15.413  -8.407  -0.306
  156   HG12  ILE  21          2HG1      ILE  21  12.584  -9.108  -1.313
  157   HG13  ILE  21          1HG1      ILE  21  13.881  -8.398  -2.336
  158   HG21  ILE  21          1HG2      ILE  21  12.857  -9.067   1.290
  159   HG22  ILE  21          2HG2      ILE  21  14.446  -8.550   1.977
  160   HG23  ILE  21          3HG2      ILE  21  14.312 -10.121   1.113
  161   HD11  ILE  21          3HD1      ILE  21  14.016 -11.125  -0.891
  162   HD12  ILE  21          1HD1      ILE  21  15.345 -10.387  -1.864
  163   HD13  ILE  21          2HD1      ILE  21  13.791 -10.843  -2.655
  164    H    HIS  22           H        HIS  22  16.308  -6.070   0.100
  165    HA   HIS  22           HA       HIS  22  16.412  -4.961  -2.587
  166    HB2  HIS  22           2HB      HIS  22  17.150  -3.383  -0.032
  167    HB3  HIS  22           1HB      HIS  22  17.509  -2.874  -1.720
  168    HD1  HIS  22           1HD      HIS  22  14.530  -3.292   0.658
  169    HD2  HIS  22           2HD      HIS  22  15.394  -1.691  -3.123
  170    HE1  HIS  22           1HE      HIS  22  12.498  -1.956  -0.122
  171    H    HIS  23           H        HIS  23  17.962  -5.540   0.540
  172    HA   HIS  23           HA       HIS  23  19.884  -6.276   1.197
  173    HB2  HIS  23           2HB      HIS  23  20.146  -7.745  -1.473
  174    HB3  HIS  23           1HB      HIS  23  21.100  -8.065   0.018
  175    HD1  HIS  23           1HD      HIS  23  19.204  -8.516   2.214
  176    HD2  HIS  23           2HD      HIS  23  18.148  -9.590  -1.702
  177    HE1  HIS  23           1HE      HIS  23  17.354 -10.276   2.342
  Start of MODEL    3
    1    H1   PHE   1           1HT      PHE   1 -17.986  -3.166  -0.939
    2    H2   PHE   1           2HT      PHE   1 -19.523  -3.023  -1.646
    3    H3   PHE   1           3HT      PHE   1 -18.539  -4.358  -2.016
    4    HA   PHE   1           HA       PHE   1 -20.275  -4.950  -0.535
    5    HB2  PHE   1           2HB      PHE   1 -17.954  -6.050  -0.466
    6    HB3  PHE   1           1HB      PHE   1 -17.521  -4.939   0.881
    7    HD1  PHE   1           2HD      PHE   1 -20.545  -7.134   0.079
    8    HD2  PHE   1           1HD      PHE   1 -17.430  -6.114   2.862
    9    HE1  PHE   1           2HE      PHE   1 -21.476  -8.734   1.713
   10    HE2  PHE   1           1HE      PHE   1 -18.367  -7.719   4.496
   11    HZ   PHE   1           HZ       PHE   1 -20.395  -9.026   3.926
   12    H    GLU   2           H        GLU   2 -20.595  -4.997   2.095
   13    HA   GLU   2           HA       GLU   2 -21.642  -2.407   2.622
   14    HB2  GLU   2           2HB      GLU   2 -21.611  -4.958   4.350
   15    HB3  GLU   2           1HB      GLU   2 -22.624  -3.503   4.645
   16    HG2  GLU   2           2HG      GLU   2 -22.799  -5.423   2.221
   17    HG3  GLU   2           1HG      GLU   2 -23.927  -5.359   3.620
   18    H    ASP   3           H        ASP   3 -19.186  -4.598   4.152
   19    HA   ASP   3           HA       ASP   3 -17.873  -2.332   5.281
   20    HB2  ASP   3           2HB      ASP   3 -17.665  -3.323   7.557
   21    HB3  ASP   3           1HB      ASP   3 -19.270  -2.613   7.178
   22    H    LEU   4           H        LEU   4 -16.215  -2.661   4.147
   23    HA   LEU   4           HA       LEU   4 -15.153  -5.223   3.533
   24    HB2  LEU   4           2HB      LEU   4 -14.004  -2.389   3.092
   25    HB3  LEU   4           1HB      LEU   4 -13.222  -3.893   2.509
   26    HG   LEU   4           HG       LEU   4 -15.383  -4.375   1.201
   27   HD11  LEU   4          1HD1      LEU   4 -16.964  -2.713   2.145
   28   HD12  LEU   4          2HD1      LEU   4 -16.656  -2.336   0.420
   29   HD13  LEU   4          3HD1      LEU   4 -15.853  -1.361   1.704
   30   HD21  LEU   4          3HD2      LEU   4 -13.210  -3.733   0.186
   31   HD22  LEU   4          1HD2      LEU   4 -13.602  -1.986   0.406
   32   HD23  LEU   4          2HD2      LEU   4 -14.587  -2.999  -0.718
   33    HA   PRO   5           HA       PRO   5 -12.588  -5.486   7.050
   34    HB2  PRO   5           2HB      PRO   5 -10.482  -6.976   5.457
   35    HB3  PRO   5           1HB      PRO   5 -11.518  -7.588   6.806
   36    HG2  PRO   5           2HG      PRO   5 -11.975  -8.391   4.220
   37    HG3  PRO   5           1HG      PRO   5 -13.385  -7.955   5.289
   38    HD2  PRO   5           2HD      PRO   5 -11.927  -6.064   3.368
   39    HD3  PRO   5           1HD      PRO   5 -13.693  -6.540   3.365
   40    H    ASN   6           H        ASN   6 -10.184  -5.369   7.767
   41    HA   ASN   6           HA       ASN   6  -9.266  -2.740   7.023
   42    HB2  ASN   6           2HB      ASN   6  -8.144  -4.757   9.078
   43    HB3  ASN   6           1HB      ASN   6  -7.587  -3.053   8.880
   44   HD21  ASN   6          1HD2      ASN   6  -9.706  -5.059  10.618
   45   HD22  ASN   6          2HD2      ASN   6 -10.817  -3.842  11.214
   46    H    PHE   7           H        PHE   7  -7.961  -6.105   7.063
   47    HA   PHE   7           HA       PHE   7  -5.597  -5.342   5.666
   48    HB2  PHE   7           2HB      PHE   7  -5.707  -7.193   7.432
   49    HB3  PHE   7           1HB      PHE   7  -6.678  -8.172   6.273
   50    HD1  PHE   7           2HD      PHE   7  -3.436  -6.211   6.481
   51    HD2  PHE   7           1HD      PHE   7  -5.483  -9.617   4.839
   52    HE1  PHE   7           2HE      PHE   7  -1.342  -6.948   5.394
   53    HE2  PHE   7           1HE      PHE   7  -3.387 -10.349   3.750
   54    HZ   PHE   7           HZ       PHE   7  -1.314  -9.012   4.019
   55    H    GLY   8           H        GLY   8  -8.841  -5.973   4.736
   56    HA2  GLY   8           2HA      GLY   8  -8.379  -7.302   2.279
   57    HA3  GLY   8           1HA      GLY   8  -9.850  -6.435   2.852
   58    H    HIS   9           H        HIS   9  -8.019  -4.006   3.358
   59    HA   HIS   9           HA       HIS   9  -8.224  -2.844   0.725
   60    HB2  HIS   9           2HB      HIS   9  -7.223  -1.703   3.402
   61    HB3  HIS   9           1HB      HIS   9  -7.491  -0.746   1.899
   62    HD1  HIS   9           1HD      HIS   9  -9.065  -0.759   4.892
   63    HD2  HIS   9           2HD      HIS   9 -10.537  -1.818   1.106
   64    HE1  HIS   9           1HE      HIS   9 -11.606  -0.486   4.918
   65    H    ILE  10           H        ILE  10  -5.839  -3.873   3.109
   66    HA   ILE  10           HA       ILE  10  -3.580  -2.639   2.068
   67    HB   ILE  10           HB       ILE  10  -3.901  -4.911   4.017
   68   HG12  ILE  10          2HG1      ILE  10  -3.698  -1.836   4.102
   69   HG13  ILE  10          1HG1      ILE  10  -5.025  -2.879   4.718
   70   HG21  ILE  10          1HG2      ILE  10  -1.611  -4.997   3.028
   71   HG22  ILE  10          2HG2      ILE  10  -1.534  -4.352   4.685
   72   HG23  ILE  10          3HG2      ILE  10  -1.413  -3.219   3.284
   73   HD11  ILE  10          3HD1      ILE  10  -3.389  -3.800   6.448
   74   HD12  ILE  10          1HD1      ILE  10  -3.746  -2.031   6.603
   75   HD13  ILE  10          2HD1      ILE  10  -2.197  -2.568   5.855
   76    H    GLN  11           H        GLN  11  -5.037  -5.807   1.505
   77    HA   GLN  11           HA       GLN  11  -2.759  -6.902   0.182
   78    HB2  GLN  11           2HB      GLN  11  -4.128  -8.890  -0.186
   79    HB3  GLN  11           1HB      GLN  11  -4.283  -8.308   1.502
   80    HG2  GLN  11           2HG      GLN  11  -6.492  -7.202   0.893
   81    HG3  GLN  11           1HG      GLN  11  -6.347  -7.868  -0.770
   82   HE21  GLN  11          1HE2      GLN  11  -6.253  -8.913   2.714
   83   HE22  GLN  11          2HE2      GLN  11  -7.044 -10.456   2.454
   84    H    VAL  12           H        VAL  12  -4.487  -4.426  -0.932
   85    HA   VAL  12           HA       VAL  12  -4.609  -5.408  -3.695
   86    HB   VAL  12           HB       VAL  12  -5.799  -2.863  -2.477
   87   HG11  VAL  12          1HG1      VAL  12  -6.947  -2.744  -4.752
   88   HG12  VAL  12          2HG1      VAL  12  -5.910  -4.115  -5.310
   89   HG13  VAL  12          3HG1      VAL  12  -5.163  -2.539  -4.858
   90   HG21  VAL  12          3HG2      VAL  12  -7.099  -5.536  -3.333
   91   HG22  VAL  12          1HG2      VAL  12  -7.997  -4.034  -2.898
   92   HG23  VAL  12          2HG2      VAL  12  -7.009  -4.874  -1.656
   93    H    LYS  13           H        LYS  13  -3.173  -3.233  -1.327
   94    HA   LYS  13           HA       LYS  13  -1.931  -1.592  -3.323
   95    HB2  LYS  13           2HB      LYS  13  -1.165  -1.502  -0.336
   96    HB3  LYS  13           1HB      LYS  13  -1.289  -0.129  -1.488
   97    HG2  LYS  13           2HG      LYS  13  -3.501  -1.838  -0.237
   98    HG3  LYS  13           1HG      LYS  13  -3.031  -0.202   0.341
   99    HD2  LYS  13           2HD      LYS  13  -4.327  -0.829  -2.392
  100    HD3  LYS  13           1HD      LYS  13  -5.156  -0.144  -0.954
  101    HE2  LYS  13           2HE      LYS  13  -3.694   1.906  -1.072
  102    HE3  LYS  13           1HE      LYS  13  -2.874   1.233  -2.541
  103    HZ1  LYS  13           3HZ      LYS  13  -4.604   2.772  -3.103
  104    HZ2  LYS  13           1HZ      LYS  13  -5.768   1.850  -2.280
  105    HZ3  LYS  13           2HZ      LYS  13  -4.997   1.214  -3.653
  106    H    VAL  14           H        VAL  14  -1.301  -4.389  -1.794
  107    HA   VAL  14           HA       VAL  14   1.513  -4.476  -1.639
  108    HB   VAL  14           HB       VAL  14  -0.085  -6.093  -0.705
  109   HG11  VAL  14          1HG1      VAL  14  -0.442  -7.327  -3.482
  110   HG12  VAL  14          2HG1      VAL  14  -1.659  -6.283  -2.661
  111   HG13  VAL  14          3HG1      VAL  14  -1.172  -7.856  -1.931
  112   HG21  VAL  14          3HG2      VAL  14   1.350  -8.118  -1.149
  113   HG22  VAL  14          1HG2      VAL  14   2.388  -6.635  -1.088
  114   HG23  VAL  14          2HG2      VAL  14   1.922  -7.355  -2.683
  115    H    PHE  15           H        PHE  15  -0.751  -4.894  -4.068
  116    HA   PHE  15           HA       PHE  15   0.983  -5.751  -6.212
  117    HB2  PHE  15           2HB      PHE  15  -1.890  -4.622  -6.405
  118    HB3  PHE  15           1HB      PHE  15  -0.996  -5.437  -7.747
  119    HD1  PHE  15           1HD      PHE  15   0.199  -7.809  -6.711
  120    HD2  PHE  15           2HD      PHE  15  -3.523  -5.997  -5.548
  121    HE1  PHE  15           1HE      PHE  15  -0.639 -10.004  -5.967
  122    HE2  PHE  15           2HE      PHE  15  -4.368  -8.206  -4.826
  123    HZ   PHE  15           HZ       PHE  15  -2.924 -10.213  -5.024
  124    H    ASN  16           H        ASN  16  -0.192  -2.645  -5.006
  125    HA   ASN  16           HA       ASN  16   0.601  -1.142  -7.278
  126    HB2  ASN  16           2HB      ASN  16  -1.188  -0.407  -5.619
  127    HB3  ASN  16           1HB      ASN  16   0.092  -0.202  -4.381
  128   HD21  ASN  16          1HD2      ASN  16  -0.612   0.765  -7.827
  129   HD22  ASN  16          2HD2      ASN  16  -0.051   2.418  -7.665
  130    H    HIS  17           H        HIS  17   2.090  -1.963  -4.032
  131    HA   HIS  17           HA       HIS  17   4.281  -0.498  -4.357
  132    HB2  HIS  17           2HB      HIS  17   3.980  -3.063  -2.716
  133    HB3  HIS  17           1HB      HIS  17   5.297  -1.850  -2.530
  134    HD1  HIS  17           1HD      HIS  17   3.578   0.780  -2.487
  135    HD2  HIS  17           2HD      HIS  17   2.601  -2.709  -0.370
  136    HE1  HIS  17           1HE      HIS  17   2.083   1.433  -0.520
  137    H    GLY  18           H        GLY  18   6.230  -0.849  -5.462
  138    HA2  GLY  18           2HA      GLY  18   7.884  -2.130  -6.371
  139    HA3  GLY  18           1HA      GLY  18   6.748  -3.517  -6.582
  140    H    GLU  19           H        GLU  19   4.558  -2.149  -7.635
  141    HA   GLU  19           HA       GLU  19   3.607  -1.254  -9.292
  142    HB2  GLU  19           2HB      GLU  19   6.240  -0.212 -10.418
  143    HB3  GLU  19           1HB      GLU  19   4.604   0.108 -11.089
  144    HG2  GLU  19           2HG      GLU  19   3.932   1.234  -8.940
  145    HG3  GLU  19           1HG      GLU  19   5.581   0.931  -8.274
  146    H    HIS  20           H        HIS  20   2.639  -2.603 -10.550
  147    HA   HIS  20           HA       HIS  20   4.040  -4.648 -12.020
  148    HB2  HIS  20           2HB      HIS  20   1.072  -3.856 -11.897
  149    HB3  HIS  20           1HB      HIS  20   1.724  -5.244 -12.845
  150    HD1  HIS  20           1HD      HIS  20  -0.299  -6.050 -10.863
  151    HD2  HIS  20           2HD      HIS  20   3.716  -5.629  -9.711
  152    HE1  HIS  20           1HE      HIS  20   0.081  -7.450  -8.765
  153    H    ILE  21           H        ILE  21   1.483  -2.414 -13.088
  154    HA   ILE  21           HA       ILE  21   3.019  -1.636 -15.418
  155    HB   ILE  21           HB       ILE  21   0.933  -0.291 -15.900
  156   HG12  ILE  21          2HG1      ILE  21  -0.303  -2.043 -13.681
  157   HG13  ILE  21          1HG1      ILE  21   0.030  -0.281 -13.538
  158   HG21  ILE  21          1HG2      ILE  21  -0.190  -2.286 -16.855
  159   HG22  ILE  21          2HG2      ILE  21   0.690  -3.363 -15.705
  160   HG23  ILE  21          3HG2      ILE  21   1.597  -2.450 -16.972
  161   HD11  ILE  21          3HD1      ILE  21  -1.517   0.161 -15.480
  162   HD12  ILE  21          1HD1      ILE  21  -2.341  -0.635 -14.088
  163   HD13  ILE  21          2HD1      ILE  21  -1.911  -1.599 -15.545
  164    H    HIS  22           H        HIS  22   3.496   0.549 -15.795
  165    HA   HIS  22           HA       HIS  22   3.733   2.197 -13.363
  166    HB2  HIS  22           2HB      HIS  22   5.501   2.044 -15.879
  167    HB3  HIS  22           1HB      HIS  22   5.638   3.324 -14.619
  168    HD1  HIS  22           1HD      HIS  22   5.746  -0.565 -14.584
  169    HD2  HIS  22           2HD      HIS  22   7.512   2.770 -12.751
  170    HE1  HIS  22           1HE      HIS  22   7.523  -1.403 -12.952
  171    H    HIS  23           H        HIS  23   2.948   1.935 -16.791
  172    HA   HIS  23           HA       HIS  23   2.109   4.622 -17.134
  173    HB2  HIS  23           2HB      HIS  23   1.105   3.803 -19.268
  174    HB3  HIS  23           1HB      HIS  23   2.830   3.348 -19.096
  175    HD1  HIS  23           1HD      HIS  23   3.215   0.703 -18.302
  176    HD2  HIS  23           2HD      HIS  23  -0.602   1.669 -19.750
  177    HE1  HIS  23           1HE      HIS  23   2.017  -1.473 -18.897
  Start of MODEL    4
    1    H1   PHE   1           1HT      PHE   1 -15.530  -4.925  -6.172
    2    H2   PHE   1           2HT      PHE   1 -15.767  -3.244  -6.118
    3    H3   PHE   1           3HT      PHE   1 -17.085  -4.278  -6.399
    4    HA   PHE   1           HA       PHE   1 -16.890  -5.212  -4.235
    5    HB2  PHE   1           2HB      PHE   1 -14.589  -3.161  -3.897
    6    HB3  PHE   1           1HB      PHE   1 -15.339  -4.041  -2.517
    7    HD1  PHE   1           2HD      PHE   1 -15.279  -6.562  -2.462
    8    HD2  PHE   1           1HD      PHE   1 -12.880  -4.243  -5.174
    9    HE1  PHE   1           2HE      PHE   1 -13.739  -8.479  -2.744
   10    HE2  PHE   1           1HE      PHE   1 -11.344  -6.162  -5.454
   11    HZ   PHE   1           HZ       PHE   1 -11.768  -8.282  -4.238
   12    H    GLU   2           H        GLU   2 -17.752  -4.191  -2.234
   13    HA   GLU   2           HA       GLU   2 -19.242  -1.745  -2.852
   14    HB2  GLU   2           2HB      GLU   2 -19.582  -3.854  -0.634
   15    HB3  GLU   2           1HB      GLU   2 -20.593  -2.374  -0.831
   16    HG2  GLU   2           2HG      GLU   2 -21.352  -3.198  -3.082
   17    HG3  GLU   2           1HG      GLU   2 -20.376  -4.699  -2.866
   18    H    ASP   3           H        ASP   3 -17.294  -3.411  -0.274
   19    HA   ASP   3           HA       ASP   3 -15.843  -1.151   0.359
   20    HB2  ASP   3           2HB      ASP   3 -16.499  -0.943   2.788
   21    HB3  ASP   3           1HB      ASP   3 -17.723  -0.272   1.659
   22    H    LEU   4           H        LEU   4 -14.034  -2.186   0.486
   23    HA   LEU   4           HA       LEU   4 -13.876  -4.957   0.992
   24    HB2  LEU   4           2HB      LEU   4 -11.579  -2.887   0.844
   25    HB3  LEU   4           1HB      LEU   4 -11.380  -4.666   0.850
   26    HG   LEU   4           HG       LEU   4 -12.909  -4.613  -1.299
   27   HD11  LEU   4          1HD1      LEU   4 -13.494  -2.186  -1.336
   28   HD12  LEU   4          2HD1      LEU   4 -12.470  -2.597  -2.753
   29   HD13  LEU   4          3HD1      LEU   4 -11.746  -1.745  -1.339
   30   HD21  LEU   4          3HD2      LEU   4 -10.568  -5.411  -1.210
   31   HD22  LEU   4          1HD2      LEU   4  -9.962  -3.715  -1.327
   32   HD23  LEU   4          2HD2      LEU   4 -10.857  -4.452  -2.710
   33    HA   PRO   5           HA       PRO   5 -13.262  -4.799   5.313
   34    HB2  PRO   5           2HB      PRO   5 -11.266  -7.087   5.023
   35    HB3  PRO   5           1HB      PRO   5 -12.796  -7.035   5.994
   36    HG2  PRO   5           2HG      PRO   5 -12.761  -8.436   3.659
   37    HG3  PRO   5           1HG      PRO   5 -14.142  -7.273   3.924
   38    HD2  PRO   5           2HD      PRO   5 -11.540  -6.643   2.466
   39    HD3  PRO   5           1HD      PRO   5 -13.251  -6.590   1.829
   40    H    ASN   6           H        ASN   6 -11.439  -5.159   7.028
   41    HA   ASN   6           HA       ASN   6  -9.926  -2.827   6.885
   42    HB2  ASN   6           2HB      ASN   6  -9.651  -5.172   8.876
   43    HB3  ASN   6           1HB      ASN   6  -8.947  -3.527   9.110
   44   HD21  ASN   6          1HD2      ASN   6 -10.650  -1.666   8.814
   45   HD22  ASN   6          2HD2      ASN   6 -12.193  -1.913   9.607
   46    H    PHE   7           H        PHE   7  -8.821  -6.267   6.946
   47    HA   PHE   7           HA       PHE   7  -6.110  -5.506   6.303
   48    HB2  PHE   7           2HB      PHE   7  -7.446  -8.278   6.582
   49    HB3  PHE   7           1HB      PHE   7  -5.669  -7.980   6.404
   50    HD1  PHE   7           1HD      PHE   7  -4.553  -6.424   8.145
   51    HD2  PHE   7           2HD      PHE   7  -8.407  -8.235   8.745
   52    HE1  PHE   7           1HE      PHE   7  -4.345  -6.063  10.583
   53    HE2  PHE   7           2HE      PHE   7  -8.196  -7.871  11.182
   54    HZ   PHE   7           HZ       PHE   7  -6.167  -6.784  12.106
   55    H    GLY   8           H        GLY   8  -9.014  -6.011   4.584
   56    HA2  GLY   8           2HA      GLY   8  -7.824  -7.194   2.253
   57    HA3  GLY   8           1HA      GLY   8  -9.505  -6.636   2.529
   58    H    HIS   9           H        HIS   9  -7.485  -4.158   3.537
   59    HA   HIS   9           HA       HIS   9  -7.833  -2.690   1.049
   60    HB2  HIS   9           2HB      HIS   9  -6.821  -1.795   3.816
   61    HB3  HIS   9           1HB      HIS   9  -7.026  -0.721   2.385
   62    HD1  HIS   9           1HD      HIS   9  -9.840  -1.410   1.413
   63    HD2  HIS   9           2HD      HIS   9  -8.868  -1.022   5.477
   64    HE1  HIS   9           1HE      HIS   9 -11.975  -0.828   2.690
   65    H    ILE  10           H        ILE  10  -5.404  -3.966   3.269
   66    HA   ILE  10           HA       ILE  10  -3.185  -2.660   2.132
   67    HB   ILE  10           HB       ILE  10  -3.421  -5.006   4.088
   68   HG12  ILE  10          2HG1      ILE  10  -2.373  -2.891   5.487
   69   HG13  ILE  10          1HG1      ILE  10  -3.369  -1.985   4.298
   70   HG21  ILE  10          1HG2      ILE  10  -1.006  -4.475   4.650
   71   HG22  ILE  10          2HG2      ILE  10  -0.931  -3.376   3.223
   72   HG23  ILE  10          3HG2      ILE  10  -1.189  -5.152   3.003
   73   HD11  ILE  10          3HD1      ILE  10  -4.637  -2.422   6.401
   74   HD12  ILE  10          1HD1      ILE  10  -4.334  -4.192   6.245
   75   HD13  ILE  10          2HD1      ILE  10  -5.389  -3.347   5.051
   76    H    GLN  11           H        GLN  11  -4.751  -5.760   1.577
   77    HA   GLN  11           HA       GLN  11  -2.555  -6.830   0.080
   78    HB2  GLN  11           2HB      GLN  11  -3.947  -8.803  -0.285
   79    HB3  GLN  11           1HB      GLN  11  -3.968  -8.281   1.419
   80    HG2  GLN  11           2HG      GLN  11  -6.203  -8.770   1.131
   81    HG3  GLN  11           1HG      GLN  11  -6.186  -6.994   0.826
   82   HE21  GLN  11          1HE2      GLN  11  -7.650  -6.578  -0.788
   83   HE22  GLN  11          2HE2      GLN  11  -7.859  -7.507  -2.260
   84    H    VAL  12           H        VAL  12  -4.432  -4.312  -0.763
   85    HA   VAL  12           HA       VAL  12  -4.694  -5.090  -3.572
   86    HB   VAL  12           HB       VAL  12  -5.492  -2.484  -2.177
   87   HG11  VAL  12          1HG1      VAL  12  -5.036  -2.151  -4.603
   88   HG12  VAL  12          2HG1      VAL  12  -6.812  -2.156  -4.332
   89   HG13  VAL  12          3HG1      VAL  12  -6.000  -3.616  -5.019
   90   HG21  VAL  12          3HG2      VAL  12  -7.171  -4.947  -2.992
   91   HG22  VAL  12          1HG2      VAL  12  -7.834  -3.369  -2.428
   92   HG23  VAL  12          2HG2      VAL  12  -6.851  -4.374  -1.309
   93    H    LYS  13           H        LYS  13  -2.857  -3.209  -1.230
   94    HA   LYS  13           HA       LYS  13  -1.657  -1.554  -3.243
   95    HB2  LYS  13           2HB      LYS  13  -0.747  -1.616  -0.294
   96    HB3  LYS  13           1HB      LYS  13  -0.832  -0.195  -1.392
   97    HG2  LYS  13           2HG      LYS  13  -3.095  -1.814  -0.116
   98    HG3  LYS  13           1HG      LYS  13  -2.506  -0.233   0.503
   99    HD2  LYS  13           2HD      LYS  13  -3.922  -0.673  -2.206
  100    HD3  LYS  13           1HD      LYS  13  -4.670  -0.003  -0.716
  101    HE2  LYS  13           2HE      LYS  13  -3.090   1.963  -0.799
  102    HE3  LYS  13           1HE      LYS  13  -2.362   1.307  -2.323
  103    HZ1  LYS  13           3HZ      LYS  13  -4.523   1.460  -3.356
  104    HZ2  LYS  13           1HZ      LYS  13  -4.011   2.966  -2.761
  105    HZ3  LYS  13           2HZ      LYS  13  -5.202   2.085  -1.931
  106    H    VAL  14           H        VAL  14  -1.077  -4.418  -1.843
  107    HA   VAL  14           HA       VAL  14   1.747  -4.604  -1.990
  108    HB   VAL  14           HB       VAL  14   0.208  -6.196  -0.894
  109   HG11  VAL  14          1HG1      VAL  14  -0.468  -7.395  -3.627
  110   HG12  VAL  14          2HG1      VAL  14  -1.557  -6.307  -2.691
  111   HG13  VAL  14          3HG1      VAL  14  -1.062  -7.901  -2.010
  112   HG21  VAL  14          3HG2      VAL  14   1.524  -8.259  -1.538
  113   HG22  VAL  14          1HG2      VAL  14   2.605  -6.806  -1.529
  114   HG23  VAL  14          2HG2      VAL  14   1.967  -7.456  -3.095
  115    H    PHE  15           H        PHE  15  -0.803  -4.926  -4.142
  116    HA   PHE  15           HA       PHE  15   0.695  -5.777  -6.477
  117    HB2  PHE  15           2HB      PHE  15  -2.201  -4.699  -6.347
  118    HB3  PHE  15           1HB      PHE  15  -1.430  -5.430  -7.806
  119    HD1  PHE  15           1HD      PHE  15  -0.143  -7.802  -7.158
  120    HD2  PHE  15           2HD      PHE  15  -3.636  -6.161  -5.259
  121    HE1  PHE  15           1HE      PHE  15  -0.818 -10.065  -6.439
  122    HE2  PHE  15           2HE      PHE  15  -4.322  -8.435  -4.567
  123    HZ   PHE  15           HZ       PHE  15  -2.908 -10.389  -5.144
  124    H    ASN  16           H        ASN  16  -0.283  -2.707  -5.067
  125    HA   ASN  16           HA       ASN  16   0.194  -1.157  -7.400
  126    HB2  ASN  16           2HB      ASN  16  -1.370  -0.473  -5.526
  127    HB3  ASN  16           1HB      ASN  16   0.047  -0.306  -4.439
  128   HD21  ASN  16          1HD2      ASN  16   0.686   1.795  -4.227
  129   HD22  ASN  16          2HD2      ASN  16   0.576   3.047  -5.447
  130    H    HIS  17           H        HIS  17   2.083  -2.093  -4.424
  131    HA   HIS  17           HA       HIS  17   4.023  -0.360  -4.789
  132    HB2  HIS  17           2HB      HIS  17   5.247  -1.344  -3.027
  133    HB3  HIS  17           1HB      HIS  17   3.496  -1.509  -2.670
  134    HD1  HIS  17           1HD      HIS  17   3.900  -3.345  -0.994
  135    HD2  HIS  17           2HD      HIS  17   5.451  -4.402  -4.750
  136    HE1  HIS  17           1HE      HIS  17   4.600  -5.798  -0.921
  137    H    GLY  18           H        GLY  18   6.446  -0.831  -5.076
  138    HA2  GLY  18           2HA      GLY  18   8.158  -1.654  -6.213
  139    HA3  GLY  18           1HA      GLY  18   7.116  -2.973  -6.880
  140    H    GLU  19           H        GLU  19   6.518   0.541  -6.907
  141    HA   GLU  19           HA       GLU  19   6.412   0.494  -9.836
  142    HB2  GLU  19           2HB      GLU  19   4.954   2.562  -9.514
  143    HB3  GLU  19           1HB      GLU  19   4.257   1.011  -8.944
  144    HG2  GLU  19           2HG      GLU  19   4.834   1.543  -6.574
  145    HG3  GLU  19           1HG      GLU  19   5.572   3.104  -7.091
  146    H    HIS  20           H        HIS  20   8.854   0.469  -9.241
  147    HA   HIS  20           HA       HIS  20  10.786   1.388  -9.349
  148    HB2  HIS  20           2HB      HIS  20   9.480   4.029 -10.195
  149    HB3  HIS  20           1HB      HIS  20  11.233   3.630 -10.275
  150    HD1  HIS  20           1HD      HIS  20   7.913   2.493 -11.862
  151    HD2  HIS  20           2HD      HIS  20  12.050   2.268 -12.529
  152    HE1  HIS  20           1HE      HIS  20   8.292   1.486 -14.181
  153    H    ILE  21           H        ILE  21  10.360   4.677  -8.505
  154    HA   ILE  21           HA       ILE  21  11.283   4.169  -5.834
  155    HB   ILE  21           HB       ILE  21  11.484   6.676  -5.803
  156   HG12  ILE  21          2HG1      ILE  21  10.719   6.435  -8.787
  157   HG13  ILE  21          1HG1      ILE  21   9.705   7.177  -7.501
  158   HG21  ILE  21          1HG2      ILE  21  13.525   6.636  -7.190
  159   HG22  ILE  21          2HG2      ILE  21  12.934   5.186  -8.083
  160   HG23  ILE  21          3HG2      ILE  21  13.334   5.071  -6.328
  161   HD11  ILE  21          3HD1      ILE  21  10.853   8.944  -8.753
  162   HD12  ILE  21          1HD1      ILE  21  12.459   8.184  -8.470
  163   HD13  ILE  21          2HD1      ILE  21  11.533   8.880  -7.087
  164    H    HIS  22           H        HIS  22  10.337   5.583  -4.089
  165    HA   HIS  22           HA       HIS  22   7.449   5.285  -4.063
  166    HB2  HIS  22           2HB      HIS  22   8.817   4.456  -2.133
  167    HB3  HIS  22           1HB      HIS  22   9.460   6.106  -1.872
  168    HD1  HIS  22           1HD      HIS  22   7.591   7.899  -0.954
  169    HD2  HIS  22           2HD      HIS  22   6.333   3.896  -1.022
  170    HE1  HIS  22           1HE      HIS  22   5.492   7.700   0.491
  171    H    HIS  23           H        HIS  23  10.052   7.652  -3.762
  172    HA   HIS  23           HA       HIS  23   8.262   9.904  -3.535
  173    HB2  HIS  23           2HB      HIS  23  10.518  11.174  -3.392
  174    HB3  HIS  23           1HB      HIS  23  10.152   9.990  -2.102
  175    HD1  HIS  23           1HD      HIS  23  12.321  10.083  -5.299
  176    HD2  HIS  23           2HD      HIS  23  11.906   7.935  -1.720
  177    HE1  HIS  23           1HE      HIS  23  14.264   8.433  -5.134
  Start of MODEL    5
    1    H1   PHE   1           1HT      PHE   1 -14.409   5.827   4.476
    2    H2   PHE   1           2HT      PHE   1 -15.470   6.989   3.833
    3    H3   PHE   1           3HT      PHE   1 -14.174   6.411   2.898
    4    HA   PHE   1           HA       PHE   1 -16.214   5.479   2.194
    5    HB2  PHE   1           2HB      PHE   1 -15.599   3.021   2.265
    6    HB3  PHE   1           1HB      PHE   1 -14.252   4.107   1.819
    7    HD1  PHE   1           2HD      PHE   1 -15.667   2.089   4.656
    8    HD2  PHE   1           1HD      PHE   1 -12.247   4.153   3.080
    9    HE1  PHE   1           2HE      PHE   1 -14.252   1.070   6.401
   10    HE2  PHE   1           1HE      PHE   1 -10.825   3.118   4.818
   11    HZ   PHE   1           HZ       PHE   1 -11.823   1.572   6.481
   12    H    GLU   2           H        GLU   2 -17.656   3.363   2.713
   13    HA   GLU   2           HA       GLU   2 -19.304   4.212   4.911
   14    HB2  GLU   2           2HB      GLU   2 -19.638   1.983   2.823
   15    HB3  GLU   2           1HB      GLU   2 -20.856   2.409   4.084
   16    HG2  GLU   2           2HG      GLU   2 -21.019   4.729   3.125
   17    HG3  GLU   2           1HG      GLU   2 -19.841   4.279   1.835
   18    H    ASP   3           H        ASP   3 -18.512   0.820   3.916
   19    HA   ASP   3           HA       ASP   3 -17.051   0.371   6.303
   20    HB2  ASP   3           2HB      ASP   3 -18.363  -1.605   7.073
   21    HB3  ASP   3           1HB      ASP   3 -19.140  -0.025   7.420
   22    H    LEU   4           H        LEU   4 -15.407  -0.211   5.232
   23    HA   LEU   4           HA       LEU   4 -15.559  -2.549   3.456
   24    HB2  LEU   4           2HB      LEU   4 -13.563  -0.187   3.333
   25    HB3  LEU   4           1HB      LEU   4 -13.519  -1.635   2.273
   26    HG   LEU   4           HG       LEU   4 -15.732   0.500   2.328
   27   HD11  LEU   4          1HD1      LEU   4 -14.819   1.220   0.139
   28   HD12  LEU   4          2HD1      LEU   4 -13.519  -0.029   0.245
   29   HD13  LEU   4          3HD1      LEU   4 -13.559   1.334   1.425
   30   HD21  LEU   4          3HD2      LEU   4 -16.679  -1.700   1.646
   31   HD22  LEU   4          1HD2      LEU   4 -15.360  -1.911   0.433
   32   HD23  LEU   4          2HD2      LEU   4 -16.571  -0.590   0.236
   33    HA   PRO   5           HA       PRO   5 -13.029  -4.147   6.541
   34    HB2  PRO   5           2HB      PRO   5 -11.264  -5.598   4.543
   35    HB3  PRO   5           1HB      PRO   5 -12.385  -6.300   5.777
   36    HG2  PRO   5           2HG      PRO   5 -13.043  -6.369   3.119
   37    HG3  PRO   5           1HG      PRO   5 -14.313  -5.894   4.337
   38    HD2  PRO   5           2HD      PRO   5 -12.469  -3.983   2.804
   39    HD3  PRO   5           1HD      PRO   5 -14.302  -4.030   2.786
   40    H    ASN   6           H        ASN   6 -10.676  -4.729   7.186
   41    HA   ASN   6           HA       ASN   6  -9.141  -2.253   6.914
   42    HB2  ASN   6           2HB      ASN   6  -8.862  -4.610   8.895
   43    HB3  ASN   6           1HB      ASN   6  -7.845  -3.118   8.903
   44   HD21  ASN   6          1HD2      ASN   6 -10.636  -4.540  10.218
   45   HD22  ASN   6          2HD2      ASN   6 -11.451  -3.094  10.778
   46    H    PHE   7           H        PHE   7  -8.616  -5.833   6.967
   47    HA   PHE   7           HA       PHE   7  -6.028  -5.554   5.811
   48    HB2  PHE   7           2HB      PHE   7  -6.673  -7.311   7.565
   49    HB3  PHE   7           1HB      PHE   7  -7.666  -8.127   6.304
   50    HD1  PHE   7           1HD      PHE   7  -4.168  -6.766   6.878
   51    HD2  PHE   7           2HD      PHE   7  -6.592  -9.800   5.028
   52    HE1  PHE   7           1HE      PHE   7  -2.131  -7.897   6.058
   53    HE2  PHE   7           2HE      PHE   7  -4.548 -10.927   4.207
   54    HZ   PHE   7           HZ       PHE   7  -2.315  -9.976   4.716
   55    H    GLY   8           H        GLY   8  -9.212  -5.576   4.535
   56    HA2  GLY   8           2HA      GLY   8  -8.638  -6.985   2.105
   57    HA3  GLY   8           1HA      GLY   8 -10.091  -6.026   2.566
   58    H    HIS   9           H        HIS   9  -7.482  -4.095   3.230
   59    HA   HIS   9           HA       HIS   9  -7.458  -2.811   0.586
   60    HB2  HIS   9           2HB      HIS   9  -6.848  -1.710   3.399
   61    HB3  HIS   9           1HB      HIS   9  -6.655  -0.777   1.869
   62    HD1  HIS   9           1HD      HIS   9  -8.611   0.157   4.140
   63    HD2  HIS   9           2HD      HIS   9  -9.780  -2.025   0.751
   64    HE1  HIS   9           1HE      HIS   9 -11.087   0.622   3.701
   65    H    ILE  10           H        ILE  10  -5.693  -4.280   3.249
   66    HA   ILE  10           HA       ILE  10  -3.130  -3.326   2.550
   67    HB   ILE  10           HB       ILE  10  -4.078  -5.411   4.509
   68   HG12  ILE  10          2HG1      ILE  10  -3.318  -2.424   4.528
   69   HG13  ILE  10          1HG1      ILE  10  -4.883  -3.174   4.992
   70   HG21  ILE  10          1HG2      ILE  10  -1.742  -5.966   3.832
   71   HG22  ILE  10          2HG2      ILE  10  -1.750  -5.257   5.465
   72   HG23  ILE  10          3HG2      ILE  10  -1.246  -4.243   4.060
   73   HD11  ILE  10          3HD1      ILE  10  -3.711  -2.473   7.006
   74   HD12  ILE  10          1HD1      ILE  10  -2.209  -3.321   6.483
   75   HD13  ILE  10          2HD1      ILE  10  -3.672  -4.285   6.949
   76    H    GLN  11           H        GLN  11  -5.023  -6.233   1.876
   77    HA   GLN  11           HA       GLN  11  -2.816  -7.713   0.832
   78    HB2  GLN  11           2HB      GLN  11  -4.453  -9.416   0.196
   79    HB3  GLN  11           1HB      GLN  11  -4.742  -8.847   1.873
   80    HG2  GLN  11           2HG      GLN  11  -6.609  -7.333   0.981
   81    HG3  GLN  11           1HG      GLN  11  -6.353  -8.044  -0.650
   82   HE21  GLN  11          1HE2      GLN  11  -6.952  -9.022   2.803
   83   HE22  GLN  11          2HE2      GLN  11  -7.964 -10.401   2.421
   84    H    VAL  12           H        VAL  12  -4.847  -5.205  -0.419
   85    HA   VAL  12           HA       VAL  12  -4.626  -6.080  -3.165
   86    HB   VAL  12           HB       VAL  12  -5.903  -3.574  -1.964
   87   HG11  VAL  12          1HG1      VAL  12  -5.272  -3.223  -4.359
   88   HG12  VAL  12          2HG1      VAL  12  -7.046  -3.474  -4.232
   89   HG13  VAL  12          3HG1      VAL  12  -5.986  -4.817  -4.805
   90   HG21  VAL  12          3HG2      VAL  12  -7.094  -6.286  -2.856
   91   HG22  VAL  12          1HG2      VAL  12  -8.048  -4.826  -2.398
   92   HG23  VAL  12          2HG2      VAL  12  -7.028  -5.648  -1.169
   93    H    LYS  13           H        LYS  13  -3.410  -3.610  -0.950
   94    HA   LYS  13           HA       LYS  13  -2.538  -1.782  -2.827
   95    HB2  LYS  13           2HB      LYS  13  -1.558  -0.570  -1.026
   96    HB3  LYS  13           1HB      LYS  13  -3.119  -1.310  -0.467
   97    HG2  LYS  13           2HG      LYS  13  -1.877  -1.813   1.374
   98    HG3  LYS  13           1HG      LYS  13  -1.394  -3.229   0.369
   99    HD2  LYS  13           2HD      LYS  13   0.497  -1.762  -0.523
  100    HD3  LYS  13           1HD      LYS  13   0.113  -0.573   0.751
  101    HE2  LYS  13           2HE      LYS  13   0.954  -3.531   1.230
  102    HE3  LYS  13           1HE      LYS  13   2.018  -2.084   1.456
  103    HZ1  LYS  13           3HZ      LYS  13   1.094  -2.859   3.516
  104    HZ2  LYS  13           1HZ      LYS  13  -0.492  -2.666   2.940
  105    HZ3  LYS  13           2HZ      LYS  13   0.506  -1.307   3.153
  106    H    VAL  14           H        VAL  14  -0.987  -4.493  -1.820
  107    HA   VAL  14           HA       VAL  14   1.653  -3.948  -2.172
  108    HB   VAL  14           HB       VAL  14   1.863  -6.393  -2.661
  109   HG11  VAL  14          1HG1      VAL  14   0.888  -7.106  -0.472
  110   HG12  VAL  14          2HG1      VAL  14  -0.305  -5.756  -0.570
  111   HG13  VAL  14          3HG1      VAL  14   1.450  -5.388  -0.320
  112   HG21  VAL  14          3HG2      VAL  14  -0.186  -7.864  -2.631
  113   HG22  VAL  14          1HG2      VAL  14  -0.038  -6.892  -4.126
  114   HG23  VAL  14          2HG2      VAL  14  -1.214  -6.407  -2.847
  115    H    PHE  15           H        PHE  15  -0.753  -4.506  -4.320
  116    HA   PHE  15           HA       PHE  15   0.453  -5.269  -6.687
  117    HB2  PHE  15           2HB      PHE  15  -1.464  -4.921  -7.921
  118    HB3  PHE  15           1HB      PHE  15  -2.083  -5.185  -6.253
  119    HD1  PHE  15           1HD      PHE  15  -1.923  -2.420  -5.053
  120    HD2  PHE  15           2HD      PHE  15  -3.052  -3.696  -8.998
  121    HE1  PHE  15           1HE      PHE  15  -3.346  -0.430  -5.283
  122    HE2  PHE  15           2HE      PHE  15  -4.473  -1.692  -9.232
  123    HZ   PHE  15           HZ       PHE  15  -4.626  -0.051  -7.376
  124    H    ASN  16           H        ASN  16   0.070  -2.041  -5.448
  125    HA   ASN  16           HA       ASN  16   0.967  -0.594  -7.683
  126    HB2  ASN  16           2HB      ASN  16  -0.423   0.359  -5.796
  127    HB3  ASN  16           1HB      ASN  16   0.964   0.157  -4.680
  128   HD21  ASN  16          1HD2      ASN  16   2.291   1.929  -4.465
  129   HD22  ASN  16          2HD2      ASN  16   2.397   3.277  -5.578
  130    H    HIS  17           H        HIS  17   2.600  -1.525  -4.543
  131    HA   HIS  17           HA       HIS  17   4.912  -0.417  -5.148
  132    HB2  HIS  17           2HB      HIS  17   4.409  -2.715  -3.209
  133    HB3  HIS  17           1HB      HIS  17   5.847  -1.627  -3.190
  134    HD1  HIS  17           1HD      HIS  17   4.906   1.137  -3.141
  135    HD2  HIS  17           2HD      HIS  17   2.511  -1.862  -1.455
  136    HE1  HIS  17           1HE      HIS  17   3.245   2.252  -1.551
  137    H    GLY  18           H        GLY  18   7.062  -1.313  -5.543
  138    HA2  GLY  18           2HA      GLY  18   7.888  -3.737  -6.170
  139    HA3  GLY  18           1HA      GLY  18   6.978  -3.220  -7.663
  140    H    GLU  19           H        GLU  19   7.303  -0.596  -7.773
  141    HA   GLU  19           HA       GLU  19   8.512   1.039  -8.426
  142    HB2  GLU  19           2HB      GLU  19  10.676   0.058  -6.499
  143    HB3  GLU  19           1HB      GLU  19  10.773   1.567  -7.460
  144    HG2  GLU  19           2HG      GLU  19  10.070   2.214  -5.281
  145    HG3  GLU  19           1HG      GLU  19   8.669   2.419  -6.391
  146    H    HIS  20           H        HIS  20   8.311  -0.118 -10.474
  147    HA   HIS  20           HA       HIS  20  10.871  -1.090 -11.523
  148    HB2  HIS  20           2HB      HIS  20   8.817  -2.567 -11.765
  149    HB3  HIS  20           1HB      HIS  20   8.038  -1.264 -12.714
  150    HD1  HIS  20           1HD      HIS  20  11.431  -3.154 -12.925
  151    HD2  HIS  20           2HD      HIS  20   8.312  -1.830 -15.400
  152    HE1  HIS  20           1HE      HIS  20  11.965  -3.855 -15.324
  153    H    ILE  21           H        ILE  21  11.185  -0.333 -13.930
  154    HA   ILE  21           HA       ILE  21  11.061   2.522 -13.943
  155    HB   ILE  21           HB       ILE  21  12.290   2.201 -16.141
  156   HG12  ILE  21          2HG1      ILE  21  12.375  -0.751 -15.240
  157   HG13  ILE  21          1HG1      ILE  21  11.399  -0.124 -16.612
  158   HG21  ILE  21          1HG2      ILE  21  13.343   2.715 -13.942
  159   HG22  ILE  21          2HG2      ILE  21  14.403   1.686 -14.966
  160   HG23  ILE  21          3HG2      ILE  21  13.495   0.950 -13.592
  161   HD11  ILE  21          3HD1      ILE  21  13.508   0.645 -17.752
  162   HD12  ILE  21          1HD1      ILE  21  13.482  -1.131 -17.449
  163   HD13  ILE  21          2HD1      ILE  21  14.479  -0.057 -16.404
  164    H    HIS  22           H        HIS  22  10.351   3.691 -15.881
  165    HA   HIS  22           HA       HIS  22   7.879   2.601 -16.986
  166    HB2  HIS  22           2HB      HIS  22   7.730   4.878 -15.983
  167    HB3  HIS  22           1HB      HIS  22   9.084   5.435 -17.014
  168    HD1  HIS  22           1HD      HIS  22   5.569   3.884 -17.578
  169    HD2  HIS  22           2HD      HIS  22   8.213   6.623 -19.342
  170    HE1  HIS  22           1HE      HIS  22   4.420   4.894 -19.625
  171    H    HIS  23           H        HIS  23  10.768   4.435 -17.918
  172    HA   HIS  23           HA       HIS  23  10.655   3.344 -20.633
  173    HB2  HIS  23           2HB      HIS  23  10.901   5.824 -20.402
  174    HB3  HIS  23           1HB      HIS  23  12.392   5.580 -19.434
  175    HD1  HIS  23           1HD      HIS  23  11.130   4.530 -22.953
  176    HD2  HIS  23           2HD      HIS  23  14.658   5.699 -21.004
  177    HE1  HIS  23           1HE      HIS  23  12.998   4.653 -24.693
  Start of MODEL    6
    1    H1   PHE   1           1HT      PHE   1 -15.289  -3.539  -5.539
    2    H2   PHE   1           2HT      PHE   1 -16.515  -4.568  -6.110
    3    H3   PHE   1           3HT      PHE   1 -15.113  -5.225  -5.410
    4    HA   PHE   1           HA       PHE   1 -16.973  -5.335  -3.919
    5    HB2  PHE   1           2HB      PHE   1 -14.784  -3.300  -3.090
    6    HB3  PHE   1           1HB      PHE   1 -15.917  -4.066  -1.922
    7    HD1  PHE   1           1HD      PHE   1 -16.016  -6.638  -1.837
    8    HD2  PHE   1           2HD      PHE   1 -12.752  -4.425  -3.549
    9    HE1  PHE   1           1HE      PHE   1 -14.519  -8.578  -1.496
   10    HE2  PHE   1           2HE      PHE   1 -11.257  -6.364  -3.203
   11    HZ   PHE   1           HZ       PHE   1 -12.136  -8.445  -2.175
   12    H    GLU   2           H        GLU   2 -18.288  -4.137  -2.296
   13    HA   GLU   2           HA       GLU   2 -19.332  -1.602  -3.352
   14    HB2  GLU   2           2HB      GLU   2 -20.516  -3.585  -1.307
   15    HB3  GLU   2           1HB      GLU   2 -21.288  -2.051  -1.840
   16    HG2  GLU   2           2HG      GLU   2 -20.695  -4.525  -3.604
   17    HG3  GLU   2           1HG      GLU   2 -22.300  -4.041  -2.949
   18    H    ASP   3           H        ASP   3 -18.083  -3.419  -0.518
   19    HA   ASP   3           HA       ASP   3 -17.021  -1.024   0.620
   20    HB2  ASP   3           2HB      ASP   3 -18.797  -2.990   2.235
   21    HB3  ASP   3           1HB      ASP   3 -17.691  -1.751   2.949
   22    H    LEU   4           H        LEU   4 -15.080  -1.669   0.296
   23    HA   LEU   4           HA       LEU   4 -14.314  -4.364   0.108
   24    HB2  LEU   4           2HB      LEU   4 -12.220  -3.723  -0.646
   25    HB3  LEU   4           1HB      LEU   4 -13.382  -2.561  -1.350
   26    HG   LEU   4           HG       LEU   4 -11.702  -2.105   1.143
   27   HD11  LEU   4          1HD1      LEU   4 -10.153  -0.735  -0.270
   28   HD12  LEU   4          2HD1      LEU   4 -11.141  -1.118  -1.730
   29   HD13  LEU   4          3HD1      LEU   4 -10.256  -2.432  -0.872
   30   HD21  LEU   4          3HD2      LEU   4 -13.616  -0.548   1.158
   31   HD22  LEU   4          1HD2      LEU   4 -13.287  -0.066  -0.551
   32   HD23  LEU   4          2HD2      LEU   4 -12.125   0.371   0.757
   33    HA   PRO   5           HA       PRO   5 -13.363  -5.212   4.150
   34    HB2  PRO   5           2HB      PRO   5 -10.937  -6.858   3.301
   35    HB3  PRO   5           1HB      PRO   5 -12.409  -7.394   4.208
   36    HG2  PRO   5           2HG      PRO   5 -12.132  -8.050   1.576
   37    HG3  PRO   5           1HG      PRO   5 -13.732  -7.387   2.140
   38    HD2  PRO   5           2HD      PRO   5 -11.414  -5.779   0.943
   39    HD3  PRO   5           1HD      PRO   5 -13.127  -5.913   0.331
   40    H    ASN   6           H        ASN   6 -11.496  -5.681   5.764
   41    HA   ASN   6           HA       ASN   6 -10.197  -3.137   6.080
   42    HB2  ASN   6           2HB      ASN   6  -9.606  -3.925   8.381
   43    HB3  ASN   6           1HB      ASN   6 -11.365  -3.927   8.025
   44   HD21  ASN   6          1HD2      ASN   6 -12.451  -6.003   7.631
   45   HD22  ASN   6          2HD2      ASN   6 -11.792  -7.482   8.301
   46    H    PHE   7           H        PHE   7  -9.185  -6.591   5.857
   47    HA   PHE   7           HA       PHE   7  -6.409  -5.843   5.706
   48    HB2  PHE   7           2HB      PHE   7  -7.168  -8.003   6.811
   49    HB3  PHE   7           1HB      PHE   7  -7.748  -8.580   5.204
   50    HD1  PHE   7           2HD      PHE   7  -4.644  -7.062   6.796
   51    HD2  PHE   7           1HD      PHE   7  -6.238  -9.924   4.009
   52    HE1  PHE   7           2HE      PHE   7  -2.356  -7.842   6.284
   53    HE2  PHE   7           1HE      PHE   7  -3.947 -10.704   3.504
   54    HZ   PHE   7           HZ       PHE   7  -2.000  -9.660   4.635
   55    H    GLY   8           H        GLY   8  -9.084  -5.663   3.703
   56    HA2  GLY   8           2HA      GLY   8  -7.743  -6.298   1.205
   57    HA3  GLY   8           1HA      GLY   8  -9.422  -5.724   1.496
   58    H    HIS   9           H        HIS   9  -6.891  -4.064   3.161
   59    HA   HIS   9           HA       HIS   9  -6.728  -1.966   1.110
   60    HB2  HIS   9           2HB      HIS   9  -6.245  -1.708   4.141
   61    HB3  HIS   9           1HB      HIS   9  -6.121  -0.388   2.923
   62    HD1  HIS   9           1HD      HIS   9  -8.789  -0.599   1.434
   63    HD2  HIS   9           2HD      HIS   9  -8.484  -1.134   5.583
   64    HE1  HIS   9           1HE      HIS   9 -11.077  -0.124   2.470
   65    H    ILE  10           H        ILE  10  -5.148  -4.023   3.515
   66    HA   ILE  10           HA       ILE  10  -2.550  -3.030   3.038
   67    HB   ILE  10           HB       ILE  10  -3.569  -5.446   4.626
   68   HG12  ILE  10          2HG1      ILE  10  -2.512  -3.796   6.487
   69   HG13  ILE  10          1HG1      ILE  10  -2.917  -2.534   5.277
   70   HG21  ILE  10          1HG2      ILE  10  -1.233  -5.932   3.940
   71   HG22  ILE  10          2HG2      ILE  10  -1.257  -5.451   5.663
   72   HG23  ILE  10          3HG2      ILE  10  -0.714  -4.266   4.419
   73   HD11  ILE  10          3HD1      ILE  10  -5.339  -3.337   5.354
   74   HD12  ILE  10          1HD1      ILE  10  -4.732  -2.816   6.966
   75   HD13  ILE  10          2HD1      ILE  10  -4.857  -4.570   6.578
   76    H    GLN  11           H        GLN  11  -4.341  -5.931   2.040
   77    HA   GLN  11           HA       GLN  11  -2.027  -7.077   0.805
   78    HB2  GLN  11           2HB      GLN  11  -3.394  -8.881   0.036
   79    HB3  GLN  11           1HB      GLN  11  -3.876  -8.474   1.717
   80    HG2  GLN  11           2HG      GLN  11  -5.825  -7.108   0.716
   81    HG3  GLN  11           1HG      GLN  11  -5.403  -7.795  -0.890
   82   HE21  GLN  11          1HE2      GLN  11  -5.040 -10.333  -0.791
   83   HE22  GLN  11          2HE2      GLN  11  -6.278 -11.231   0.064
   84    H    VAL  12           H        VAL  12  -4.545  -4.846  -0.166
   85    HA   VAL  12           HA       VAL  12  -4.320  -5.287  -2.962
   86    HB   VAL  12           HB       VAL  12  -5.702  -3.167  -1.259
   87   HG11  VAL  12          1HG1      VAL  12  -5.823  -3.619  -4.319
   88   HG12  VAL  12          2HG1      VAL  12  -5.255  -2.131  -3.464
   89   HG13  VAL  12          3HG1      VAL  12  -6.983  -2.610  -3.374
   90   HG21  VAL  12          3HG2      VAL  12  -6.648  -5.686  -2.795
   91   HG22  VAL  12          1HG2      VAL  12  -7.742  -4.495  -2.000
   92   HG23  VAL  12          2HG2      VAL  12  -6.607  -5.470  -1.004
   93    H    LYS  13           H        LYS  13  -2.613  -3.344  -0.584
   94    HA   LYS  13           HA       LYS  13  -1.752  -1.428  -2.499
   95    HB2  LYS  13           2HB      LYS  13  -0.621  -0.321  -0.788
   96    HB3  LYS  13           1HB      LYS  13  -2.034  -1.089   0.063
   97    HG2  LYS  13           2HG      LYS  13  -0.424  -1.612   1.586
   98    HG3  LYS  13           1HG      LYS  13  -0.138  -2.998   0.478
   99    HD2  LYS  13           2HD      LYS  13   1.577  -1.535  -0.726
  100    HD3  LYS  13           1HD      LYS  13   1.363  -0.309   0.560
  101    HE2  LYS  13           2HE      LYS  13   2.150  -1.976   2.295
  102    HE3  LYS  13           1HE      LYS  13   2.343  -3.227   0.997
  103    HZ1  LYS  13           3HZ      LYS  13   4.409  -2.160   1.544
  104    HZ2  LYS  13           1HZ      LYS  13   3.783  -0.630   1.155
  105    HZ3  LYS  13           2HZ      LYS  13   3.964  -1.806  -0.056
  106    H    VAL  14           H        VAL  14  -0.634  -4.411  -1.473
  107    HA   VAL  14           HA       VAL  14   2.017  -4.136  -2.310
  108    HB   VAL  14           HB       VAL  14   0.122  -6.602  -2.180
  109   HG11  VAL  14          1HG1      VAL  14   3.196  -6.487  -2.328
  110   HG12  VAL  14          2HG1      VAL  14   2.034  -7.202  -3.521
  111   HG13  VAL  14          3HG1      VAL  14   2.235  -7.962  -1.902
  112   HG21  VAL  14          3HG2      VAL  14   0.151  -5.453  -0.070
  113   HG22  VAL  14          1HG2      VAL  14   1.959  -5.354  -0.049
  114   HG23  VAL  14          2HG2      VAL  14   1.125  -6.954   0.100
  115    H    PHE  15           H        PHE  15  -0.980  -4.774  -3.693
  116    HA   PHE  15           HA       PHE  15  -0.054  -6.017  -6.166
  117    HB2  PHE  15           2HB      PHE  15  -2.902  -5.056  -5.493
  118    HB3  PHE  15           1HB      PHE  15  -2.431  -6.108  -6.879
  119    HD1  PHE  15           2HD      PHE  15  -0.385  -7.768  -4.789
  120    HD2  PHE  15           1HD      PHE  15  -4.562  -6.719  -4.969
  121    HE1  PHE  15           2HE      PHE  15  -0.942  -9.735  -3.440
  122    HE2  PHE  15           1HE      PHE  15  -5.107  -8.702  -3.602
  123    HZ   PHE  15           HZ       PHE  15  -3.299 -10.214  -2.831
  124    H    ASN  16           H        ASN  16  -0.996  -2.850  -4.969
  125    HA   ASN  16           HA       ASN  16  -1.231  -1.607  -7.514
  126    HB2  ASN  16           2HB      ASN  16  -2.394  -0.802  -5.388
  127    HB3  ASN  16           1HB      ASN  16  -0.789  -0.379  -4.708
  128   HD21  ASN  16          1HD2      ASN  16  -2.811   0.167  -7.693
  129   HD22  ASN  16          2HD2      ASN  16  -2.380   1.854  -7.897
  130    H    HIS  17           H        HIS  17   1.304  -1.822  -4.881
  131    HA   HIS  17           HA       HIS  17   3.036  -0.167  -5.945
  132    HB2  HIS  17           2HB      HIS  17   2.965  -0.921  -3.579
  133    HB3  HIS  17           1HB      HIS  17   3.551  -2.541  -4.078
  134    HD1  HIS  17           1HD      HIS  17   5.647  -1.924  -2.400
  135    HD2  HIS  17           2HD      HIS  17   5.328   0.467  -5.823
  136    HE1  HIS  17           1HE      HIS  17   7.850  -0.658  -2.679
  137    H    GLY  18           H        GLY  18   3.271  -3.701  -5.801
  138    HA2  GLY  18           2HA      GLY  18   3.816  -5.128  -7.527
  139    HA3  GLY  18           1HA      GLY  18   4.745  -3.804  -8.348
  140    H    GLU  19           H        GLU  19   4.593  -5.904  -5.434
  141    HA   GLU  19           HA       GLU  19   7.417  -5.364  -4.878
  142    HB2  GLU  19           2HB      GLU  19   5.260  -6.744  -3.187
  143    HB3  GLU  19           1HB      GLU  19   6.988  -6.521  -2.713
  144    HG2  GLU  19           2HG      GLU  19   6.695  -4.023  -2.859
  145    HG3  GLU  19           1HG      GLU  19   4.955  -4.258  -3.273
  146    H    HIS  20           H        HIS  20   7.658  -6.572  -7.008
  147    HA   HIS  20           HA       HIS  20   7.574  -9.481  -6.681
  148    HB2  HIS  20           2HB      HIS  20   8.094  -7.718  -9.154
  149    HB3  HIS  20           1HB      HIS  20   8.159  -9.520  -9.120
  150    HD1  HIS  20           1HD      HIS  20   5.608  -6.676  -8.562
  151    HD2  HIS  20           2HD      HIS  20   5.715 -10.768  -9.481
  152    HE1  HIS  20           1HE      HIS  20   3.230  -7.428  -9.114
  153    H    ILE  21           H        ILE  21   9.899  -7.753  -8.695
  154    HA   ILE  21           HA       ILE  21  12.099  -8.547  -7.009
  155    HB   ILE  21           HB       ILE  21  13.435  -7.426  -8.838
  156   HG12  ILE  21          2HG1      ILE  21  10.746  -7.391 -10.348
  157   HG13  ILE  21          1HG1      ILE  21  11.559  -5.935  -9.676
  158   HG21  ILE  21          1HG2      ILE  21  11.575  -9.757  -9.633
  159   HG22  ILE  21          2HG2      ILE  21  13.055  -9.880  -8.604
  160   HG23  ILE  21          3HG2      ILE  21  13.200  -9.390 -10.328
  161   HD11  ILE  21          3HD1      ILE  21  12.054  -6.129 -12.077
  162   HD12  ILE  21          1HD1      ILE  21  12.704  -7.794 -11.860
  163   HD13  ILE  21          2HD1      ILE  21  13.565  -6.386 -11.128
  164    H    HIS  22           H        HIS  22  13.699  -6.911  -6.395
  165    HA   HIS  22           HA       HIS  22  12.662  -4.182  -6.174
  166    HB2  HIS  22           2HB      HIS  22  13.849  -5.816  -3.837
  167    HB3  HIS  22           1HB      HIS  22  13.547  -4.039  -3.824
  168    HD1  HIS  22           1HD      HIS  22  11.543  -7.327  -3.978
  169    HD2  HIS  22           2HD      HIS  22  10.970  -3.241  -3.220
  170    HE1  HIS  22           1HE      HIS  22   9.153  -7.003  -3.135
  171    H    HIS  23           H        HIS  23  14.121  -4.711  -8.178
  172    HA   HIS  23           HA       HIS  23  15.919  -4.336  -9.280
  173    HB2  HIS  23           2HB      HIS  23  17.010  -2.852  -6.842
  174    HB3  HIS  23           1HB      HIS  23  17.661  -2.757  -8.517
  175    HD1  HIS  23           1HD      HIS  23  16.665  -0.190  -7.118
  176    HD2  HIS  23           2HD      HIS  23  14.226  -2.524  -9.614
  177    HE1  HIS  23           1HE      HIS  23  14.797   1.297  -8.030
  Start of MODEL    7
    1    H1   PHE   1           1HT      PHE   1 -15.204   2.643  -3.061
    2    H2   PHE   1           2HT      PHE   1 -13.570   2.240  -2.826
    3    H3   PHE   1           3HT      PHE   1 -14.586   2.483  -1.487
    4    HA   PHE   1           HA       PHE   1 -14.813   0.364  -3.495
    5    HB2  PHE   1           2HB      PHE   1 -14.095  -1.255  -1.765
    6    HB3  PHE   1           1HB      PHE   1 -12.849   0.009  -1.999
    7    HD1  PHE   1           2HD      PHE   1 -12.597   1.845  -0.269
    8    HD2  PHE   1           1HD      PHE   1 -15.166  -1.540   0.346
    9    HE1  PHE   1           2HE      PHE   1 -12.653   2.326   2.157
   10    HE2  PHE   1           1HE      PHE   1 -15.222  -1.062   2.773
   11    HZ   PHE   1           HZ       PHE   1 -13.972   0.879   3.682
   12    H    GLU   2           H        GLU   2 -16.190  -1.562  -2.427
   13    HA   GLU   2           HA       GLU   2 -18.788  -0.384  -1.884
   14    HB2  GLU   2           2HB      GLU   2 -17.912  -3.266  -2.492
   15    HB3  GLU   2           1HB      GLU   2 -19.609  -2.750  -2.157
   16    HG2  GLU   2           2HG      GLU   2 -19.533  -1.229  -4.159
   17    HG3  GLU   2           1HG      GLU   2 -17.840  -1.754  -4.490
   18    H    ASP   3           H        ASP   3 -17.426  -3.479  -0.630
   19    HA   ASP   3           HA       ASP   3 -17.162  -2.462   1.993
   20    HB2  ASP   3           2HB      ASP   3 -18.616  -4.175   3.101
   21    HB3  ASP   3           1HB      ASP   3 -19.520  -2.840   2.310
   22    H    LEU   4           H        LEU   4 -15.195  -3.066   2.083
   23    HA   LEU   4           HA       LEU   4 -14.483  -5.872   1.550
   24    HB2  LEU   4           2HB      LEU   4 -12.736  -3.325   1.331
   25    HB3  LEU   4           1HB      LEU   4 -12.122  -4.995   1.096
   26    HG   LEU   4           HG       LEU   4 -14.195  -3.570  -0.676
   27   HD11  LEU   4          1HD1      LEU   4 -11.214  -4.176  -1.188
   28   HD12  LEU   4          2HD1      LEU   4 -11.926  -2.557  -0.831
   29   HD13  LEU   4          3HD1      LEU   4 -12.369  -3.419  -2.352
   30   HD21  LEU   4          3HD2      LEU   4 -12.801  -6.300  -1.051
   31   HD22  LEU   4          1HD2      LEU   4 -13.834  -5.467  -2.273
   32   HD23  LEU   4          2HD2      LEU   4 -14.555  -6.031  -0.725
   33    HA   PRO   5           HA       PRO   5 -13.243  -5.718   5.761
   34    HB2  PRO   5           2HB      PRO   5 -10.899  -7.521   5.048
   35    HB3  PRO   5           1HB      PRO   5 -12.266  -7.842   6.192
   36    HG2  PRO   5           2HG      PRO   5 -12.220  -9.109   3.773
   37    HG3  PRO   5           1HG      PRO   5 -13.781  -8.320   4.297
   38    HD2  PRO   5           2HD      PRO   5 -11.627  -7.019   2.573
   39    HD3  PRO   5           1HD      PRO   5 -13.375  -7.360   2.157
   40    H    ASN   6           H        ASN   6 -11.116  -5.656   7.126
   41    HA   ASN   6           HA       ASN   6  -9.980  -3.120   6.635
   42    HB2  ASN   6           2HB      ASN   6  -9.124  -5.278   8.679
   43    HB3  ASN   6           1HB      ASN   6  -8.593  -3.555   8.699
   44   HD21  ASN   6          1HD2      ASN   6 -10.861  -5.719   9.975
   45   HD22  ASN   6          2HD2      ASN   6 -12.090  -4.578  10.480
   46    H    PHE   7           H        PHE   7  -8.609  -6.451   6.619
   47    HA   PHE   7           HA       PHE   7  -6.078  -5.532   5.618
   48    HB2  PHE   7           2HB      PHE   7  -7.179  -8.375   6.086
   49    HB3  PHE   7           1HB      PHE   7  -5.462  -7.973   5.674
   50    HD1  PHE   7           1HD      PHE   7  -4.268  -6.241   7.216
   51    HD2  PHE   7           2HD      PHE   7  -7.804  -8.404   8.365
   52    HE1  PHE   7           1HE      PHE   7  -3.770  -5.796   9.597
   53    HE2  PHE   7           2HE      PHE   7  -7.301  -7.957  10.745
   54    HZ   PHE   7           HZ       PHE   7  -5.286  -6.650  11.365
   55    H    GLY   8           H        GLY   8  -9.029  -5.850   4.161
   56    HA2  GLY   8           2HA      GLY   8  -8.080  -6.988   1.669
   57    HA3  GLY   8           1HA      GLY   8  -9.716  -6.382   2.106
   58    H    HIS   9           H        HIS   9  -7.346  -4.215   3.148
   59    HA   HIS   9           HA       HIS   9  -7.451  -2.622   0.677
   60    HB2  HIS   9           2HB      HIS   9  -7.233  -1.649   3.590
   61    HB3  HIS   9           1HB      HIS   9  -7.226  -0.603   2.123
   62    HD1  HIS   9           1HD      HIS   9  -9.631  -1.390   0.550
   63    HD2  HIS   9           2HD      HIS   9  -9.705  -1.484   4.744
   64    HE1  HIS   9           1HE      HIS   9 -12.068  -1.278   1.305
   65    H    ILE  10           H        ILE  10  -5.572  -4.102   3.258
   66    HA   ILE  10           HA       ILE  10  -3.157  -2.681   2.710
   67    HB   ILE  10           HB       ILE  10  -3.935  -5.049   4.474
   68   HG12  ILE  10          2HG1      ILE  10  -2.793  -3.495   6.196
   69   HG13  ILE  10          1HG1      ILE  10  -2.795  -2.226   4.923
   70   HG21  ILE  10          1HG2      ILE  10  -1.541  -5.111   5.287
   71   HG22  ILE  10          2HG2      ILE  10  -1.062  -4.053   3.912
   72   HG23  ILE  10          3HG2      ILE  10  -1.710  -5.715   3.612
   73   HD11  ILE  10          3HD1      ILE  10  -5.324  -2.287   4.913
   74   HD12  ILE  10          1HD1      ILE  10  -4.674  -1.960   6.555
   75   HD13  ILE  10          2HD1      ILE  10  -5.276  -3.605   6.151
   76    H    GLN  11           H        GLN  11  -4.609  -5.786   1.882
   77    HA   GLN  11           HA       GLN  11  -2.360  -6.848   0.585
   78    HB2  GLN  11           2HB      GLN  11  -3.795  -8.548  -0.376
   79    HB3  GLN  11           1HB      GLN  11  -4.250  -8.250   1.337
   80    HG2  GLN  11           2HG      GLN  11  -6.179  -6.806   0.544
   81    HG3  GLN  11           1HG      GLN  11  -5.747  -7.193  -1.164
   82   HE21  GLN  11          1HE2      GLN  11  -8.163  -7.913  -0.823
   83   HE22  GLN  11          2HE2      GLN  11  -8.394  -9.610  -0.453
   84    H    VAL  12           H        VAL  12  -4.715  -4.481  -0.474
   85    HA   VAL  12           HA       VAL  12  -4.445  -4.891  -3.250
   86    HB   VAL  12           HB       VAL  12  -5.500  -2.514  -1.638
   87   HG11  VAL  12          1HG1      VAL  12  -4.985  -1.769  -3.947
   88   HG12  VAL  12          2HG1      VAL  12  -6.760  -1.974  -3.773
   89   HG13  VAL  12          3HG1      VAL  12  -5.796  -3.229  -4.637
   90   HG21  VAL  12          3HG2      VAL  12  -6.709  -4.638  -1.142
   91   HG22  VAL  12          1HG2      VAL  12  -6.898  -4.967  -2.906
   92   HG23  VAL  12          2HG2      VAL  12  -7.735  -3.562  -2.148
   93    H    LYS  13           H        LYS  13  -2.663  -3.071  -0.816
   94    HA   LYS  13           HA       LYS  13  -1.527  -1.295  -2.718
   95    HB2  LYS  13           2HB      LYS  13  -0.491  -0.187  -0.954
   96    HB3  LYS  13           1HB      LYS  13  -1.968  -0.900  -0.161
   97    HG2  LYS  13           2HG      LYS  13  -0.445  -1.416   1.449
   98    HG3  LYS  13           1HG      LYS  13  -0.159  -2.846   0.401
   99    HD2  LYS  13           2HD      LYS  13   1.671  -1.466  -0.760
  100    HD3  LYS  13           1HD      LYS  13   1.446  -0.218   0.505
  101    HE2  LYS  13           2HE      LYS  13   2.087  -1.897   2.285
  102    HE3  LYS  13           1HE      LYS  13   2.275  -3.171   1.011
  103    HZ1  LYS  13           3HZ      LYS  13   4.003  -1.842   0.011
  104    HZ2  LYS  13           1HZ      LYS  13   4.363  -2.197   1.632
  105    HZ3  LYS  13           2HZ      LYS  13   3.828  -0.643   1.202
  106    H    VAL  14           H        VAL  14  -0.726  -4.318  -1.523
  107    HA   VAL  14           HA       VAL  14   1.997  -4.274  -2.080
  108    HB   VAL  14           HB       VAL  14  -0.076  -6.586  -2.111
  109   HG11  VAL  14          1HG1      VAL  14   3.000  -6.682  -1.951
  110   HG12  VAL  14          2HG1      VAL  14   1.912  -7.349  -3.239
  111   HG13  VAL  14          3HG1      VAL  14   1.899  -8.075  -1.591
  112   HG21  VAL  14          3HG2      VAL  14  -0.171  -5.372  -0.034
  113   HG22  VAL  14          1HG2      VAL  14   1.629  -5.400   0.162
  114   HG23  VAL  14          2HG2      VAL  14   0.669  -6.932   0.269
  115    H    PHE  15           H        PHE  15  -0.881  -4.715  -3.768
  116    HA   PHE  15           HA       PHE  15   0.160  -6.107  -6.102
  117    HB2  PHE  15           2HB      PHE  15  -2.630  -4.854  -5.744
  118    HB3  PHE  15           1HB      PHE  15  -2.136  -5.991  -7.051
  119    HD1  PHE  15           1HD      PHE  15  -0.471  -7.776  -4.751
  120    HD2  PHE  15           2HD      PHE  15  -4.485  -6.318  -5.326
  121    HE1  PHE  15           1HE      PHE  15  -1.344  -9.647  -3.431
  122    HE2  PHE  15           2HE      PHE  15  -5.350  -8.204  -3.985
  123    HZ   PHE  15           HZ       PHE  15  -3.783  -9.874  -3.033
  124    H    ASN  16           H        ASN  16  -0.572  -2.812  -5.117
  125    HA   ASN  16           HA       ASN  16  -0.410  -1.674  -7.726
  126    HB2  ASN  16           2HB      ASN  16  -1.700  -0.651  -5.785
  127    HB3  ASN  16           1HB      ASN  16  -0.148  -0.368  -4.934
  128   HD21  ASN  16          1HD2      ASN  16   0.776   1.630  -5.282
  129   HD22  ASN  16          2HD2      ASN  16   0.430   2.706  -6.622
  130    H    HIS  17           H        HIS  17   1.783  -2.127  -4.844
  131    HA   HIS  17           HA       HIS  17   3.861  -0.779  -5.800
  132    HB2  HIS  17           2HB      HIS  17   3.458  -1.110  -3.429
  133    HB3  HIS  17           1HB      HIS  17   3.467  -2.890  -3.644
  134    HD1  HIS  17           1HD      HIS  17   6.087  -0.030  -4.019
  135    HD2  HIS  17           2HD      HIS  17   5.713  -4.072  -3.008
  136    HE1  HIS  17           1HE      HIS  17   8.388  -0.858  -3.276
  137    H    GLY  18           H        GLY  18   6.084  -1.764  -6.240
  138    HA2  GLY  18           2HA      GLY  18   6.200  -4.503  -7.056
  139    HA3  GLY  18           1HA      GLY  18   6.312  -3.263  -8.387
  140    H    GLU  19           H        GLU  19   8.107  -1.980  -8.545
  141    HA   GLU  19           HA       GLU  19  10.107  -1.254  -8.351
  142    HB2  GLU  19           2HB      GLU  19   9.768  -1.497  -5.324
  143    HB3  GLU  19           1HB      GLU  19  11.074  -0.593  -6.174
  144    HG2  GLU  19           2HG      GLU  19   9.331   0.879  -7.257
  145    HG3  GLU  19           1HG      GLU  19   8.042   0.002  -6.350
  146    H    HIS  20           H        HIS  20  10.912  -3.100  -9.486
  147    HA   HIS  20           HA       HIS  20  12.266  -5.118  -7.879
  148    HB2  HIS  20           2HB      HIS  20  12.645  -6.253 -10.106
  149    HB3  HIS  20           1HB      HIS  20  10.930  -6.021  -9.660
  150    HD1  HIS  20           1HD      HIS  20  13.497  -4.279 -11.969
  151    HD2  HIS  20           2HD      HIS  20   9.357  -4.761 -11.487
  152    HE1  HIS  20           1HE      HIS  20  12.333  -3.214 -13.979
  153    H    ILE  21           H        ILE  21  14.489  -5.779  -9.136
  154    HA   ILE  21           HA       ILE  21  16.159  -3.510  -8.645
  155    HB   ILE  21           HB       ILE  21  17.965  -5.243  -8.753
  156   HG12  ILE  21          2HG1      ILE  21  15.641  -7.256  -9.025
  157   HG13  ILE  21          1HG1      ILE  21  16.715  -6.779 -10.383
  158   HG21  ILE  21          1HG2      ILE  21  16.804  -4.524  -6.662
  159   HG22  ILE  21          2HG2      ILE  21  17.347  -6.237  -6.592
  160   HG23  ILE  21          3HG2      ILE  21  15.608  -5.859  -6.868
  161   HD11  ILE  21          3HD1      ILE  21  17.487  -8.903  -9.418
  162   HD12  ILE  21          1HD1      ILE  21  17.624  -8.165  -7.780
  163   HD13  ILE  21          2HD1      ILE  21  18.711  -7.616  -9.113
  164    H    HIS  22           H        HIS  22  18.384  -4.137 -10.206
  165    HA   HIS  22           HA       HIS  22  17.624  -3.019 -12.722
  166    HB2  HIS  22           2HB      HIS  22  19.714  -2.296 -11.548
  167    HB3  HIS  22           1HB      HIS  22  20.339  -3.975 -11.630
  168    HD1  HIS  22           1HD      HIS  22  19.180  -1.256 -14.144
  169    HD2  HIS  22           2HD      HIS  22  21.902  -4.436 -13.854
  170    HE1  HIS  22           1HE      HIS  22  20.569  -1.312 -16.289
  171    H    HIS  23           H        HIS  23  18.872  -6.057 -11.438
  172    HA   HIS  23           HA       HIS  23  18.891  -8.097 -12.075
  173    HB2  HIS  23           2HB      HIS  23  17.416  -7.455 -14.674
  174    HB3  HIS  23           1HB      HIS  23  17.756  -9.080 -13.995
  175    HD1  HIS  23           1HD      HIS  23  15.529  -6.037 -13.386
  176    HD2  HIS  23           2HD      HIS  23  16.028  -9.947 -11.951
  177    HE1  HIS  23           1HE      HIS  23  13.516  -6.610 -11.924
  Start of MODEL    8
    1    H1   PHE   1           1HT      PHE   1 -17.103  -4.334  -3.452
    2    H2   PHE   1           2HT      PHE   1 -16.912  -2.889  -4.324
    3    H3   PHE   1           3HT      PHE   1 -18.364  -3.194  -3.495
    4    HA   PHE   1           HA       PHE   1 -17.257  -3.110  -1.410
    5    HB2  PHE   1           2HB      PHE   1 -14.740  -2.585  -3.135
    6    HB3  PHE   1           1HB      PHE   1 -14.818  -2.152  -1.387
    7    HD1  PHE   1           2HD      PHE   1 -15.348  -3.928   0.320
    8    HD2  PHE   1           1HD      PHE   1 -14.252  -4.850  -3.735
    9    HE1  PHE   1           2HE      PHE   1 -14.698  -6.212   1.012
   10    HE2  PHE   1           1HE      PHE   1 -13.597  -7.131  -3.037
   11    HZ   PHE   1           HZ       PHE   1 -13.817  -7.816  -0.663
   12    H    GLU   2           H        GLU   2 -15.472  -0.777  -3.347
   13    HA   GLU   2           HA       GLU   2 -15.565   1.338  -3.691
   14    HB2  GLU   2           2HB      GLU   2 -18.320   1.561  -2.394
   15    HB3  GLU   2           1HB      GLU   2 -17.452   2.867  -3.267
   16    HG2  GLU   2           2HG      GLU   2 -18.473   0.222  -4.505
   17    HG3  GLU   2           1HG      GLU   2 -19.231   1.845  -4.675
   18    H    ASP   3           H        ASP   3 -15.545  -0.242  -0.787
   19    HA   ASP   3           HA       ASP   3 -13.940   1.691   0.418
   20    HB2  ASP   3           2HB      ASP   3 -15.141   1.723   2.651
   21    HB3  ASP   3           1HB      ASP   3 -15.922   2.727   1.385
   22    H    LEU   4           H        LEU   4 -12.358   0.322   0.657
   23    HA   LEU   4           HA       LEU   4 -12.819  -2.479   0.826
   24    HB2  LEU   4           2HB      LEU   4 -10.233  -0.801   1.032
   25    HB3  LEU   4           1HB      LEU   4 -10.238  -2.592   0.948
   26    HG   LEU   4           HG       LEU   4 -11.331  -0.738  -1.245
   27   HD11  LEU   4          1HD1      LEU   4  -8.642  -2.248  -1.129
   28   HD12  LEU   4          2HD1      LEU   4  -8.865  -0.465  -0.949
   29   HD13  LEU   4          3HD1      LEU   4  -9.267  -1.273  -2.511
   30   HD21  LEU   4          3HD2      LEU   4 -12.390  -3.000  -1.280
   31   HD22  LEU   4          1HD2      LEU   4 -10.765  -3.777  -1.267
   32   HD23  LEU   4          2HD2      LEU   4 -11.283  -2.787  -2.681
   33    HA   PRO   5           HA       PRO   5 -12.373  -2.862   5.231
   34    HB2  PRO   5           2HB      PRO   5 -10.960  -5.499   4.726
   35    HB3  PRO   5           1HB      PRO   5 -12.521  -5.204   5.594
   36    HG2  PRO   5           2HG      PRO   5 -12.537  -6.362   3.109
   37    HG3  PRO   5           1HG      PRO   5 -13.723  -5.017   3.454
   38    HD2  PRO   5           2HD      PRO   5 -10.978  -4.660   2.172
   39    HD3  PRO   5           1HD      PRO   5 -12.633  -4.269   1.504
   40    H    ASN   6           H        ASN   6 -10.612  -3.761   6.832
   41    HA   ASN   6           HA       ASN   6  -8.356  -2.067   6.538
   42    HB2  ASN   6           2HB      ASN   6  -9.461  -2.603   8.764
   43    HB3  ASN   6           1HB      ASN   6  -8.861  -4.288   8.630
   44   HD21  ASN   6          1HD2      ASN   6  -7.641  -0.855   8.438
   45   HD22  ASN   6          2HD2      ASN   6  -6.154  -1.142   9.319
   46    H    PHE   7           H        PHE   7  -8.827  -5.634   6.590
   47    HA   PHE   7           HA       PHE   7  -6.108  -6.202   5.990
   48    HB2  PHE   7           2HB      PHE   7  -6.963  -8.607   5.800
   49    HB3  PHE   7           1HB      PHE   7  -7.308  -7.810   7.375
   50    HD1  PHE   7           1HD      PHE   7  -9.605  -7.081   7.953
   51    HD2  PHE   7           2HD      PHE   7  -8.792  -9.209   4.306
   52    HE1  PHE   7           1HE      PHE   7 -12.017  -7.552   7.687
   53    HE2  PHE   7           2HE      PHE   7 -11.205  -9.675   4.042
   54    HZ   PHE   7           HZ       PHE   7 -12.824  -8.843   5.729
   55    H    GLY   8           H        GLY   8  -9.107  -5.868   4.190
   56    HA2  GLY   8           2HA      GLY   8  -7.990  -7.009   1.784
   57    HA3  GLY   8           1HA      GLY   8  -9.639  -6.366   2.083
   58    H    HIS   9           H        HIS   9  -7.201  -4.172   3.131
   59    HA   HIS   9           HA       HIS   9  -7.289  -2.657   0.630
   60    HB2  HIS   9           2HB      HIS   9  -8.029  -1.259   2.509
   61    HB3  HIS   9           1HB      HIS   9  -6.724  -1.915   3.554
   62    HD1  HIS   9           1HD      HIS   9  -7.039   0.383   0.447
   63    HD2  HIS   9           2HD      HIS   9  -4.342  -0.670   3.471
   64    HE1  HIS   9           1HE      HIS   9  -5.007   1.923   0.251
   65    H    ILE  10           H        ILE  10  -5.397  -4.235   3.162
   66    HA   ILE  10           HA       ILE  10  -2.857  -3.399   2.294
   67    HB   ILE  10           HB       ILE  10  -3.805  -5.488   4.230
   68   HG12  ILE  10          2HG1      ILE  10  -2.592  -2.646   4.289
   69   HG13  ILE  10          1HG1      ILE  10  -4.244  -3.136   4.796
   70   HG21  ILE  10          1HG2      ILE  10  -1.646  -6.308   3.297
   71   HG22  ILE  10          2HG2      ILE  10  -1.390  -5.670   4.943
   72   HG23  ILE  10          3HG2      ILE  10  -0.904  -4.675   3.518
   73   HD11  ILE  10          3HD1      ILE  10  -3.178  -4.533   6.644
   74   HD12  ILE  10          1HD1      ILE  10  -2.887  -2.749   6.776
   75   HD13  ILE  10          2HD1      ILE  10  -1.582  -3.824   6.152
   76    H    GLN  11           H        GLN  11  -5.009  -6.086   1.503
   77    HA   GLN  11           HA       GLN  11  -3.179  -7.817   0.353
   78    HB2  GLN  11           2HB      GLN  11  -5.188  -8.636   1.377
   79    HB3  GLN  11           1HB      GLN  11  -6.178  -7.330   0.642
   80    HG2  GLN  11           2HG      GLN  11  -6.096  -8.302  -1.525
   81    HG3  GLN  11           1HG      GLN  11  -4.967  -9.623  -0.982
   82   HE21  GLN  11          1HE2      GLN  11  -7.027 -10.749  -2.075
   83   HE22  GLN  11          2HE2      GLN  11  -8.281 -11.258  -0.961
   84    H    VAL  12           H        VAL  12  -4.952  -4.968  -0.712
   85    HA   VAL  12           HA       VAL  12  -4.637  -5.631  -3.522
   86    HB   VAL  12           HB       VAL  12  -5.989  -3.254  -2.156
   87   HG11  VAL  12          1HG1      VAL  12  -7.039  -2.954  -4.462
   88   HG12  VAL  12          2HG1      VAL  12  -5.904  -4.200  -5.109
   89   HG13  VAL  12          3HG1      VAL  12  -5.271  -2.642  -4.462
   90   HG21  VAL  12          3HG2      VAL  12  -8.099  -4.461  -2.798
   91   HG22  VAL  12          1HG2      VAL  12  -7.121  -5.432  -1.647
   92   HG23  VAL  12          2HG2      VAL  12  -7.122  -5.852  -3.399
   93    H    LYS  13           H        LYS  13  -3.339  -3.525  -1.002
   94    HA   LYS  13           HA       LYS  13  -2.253  -1.667  -2.863
   95    HB2  LYS  13           2HB      LYS  13  -1.599  -0.346  -1.023
   96    HB3  LYS  13           1HB      LYS  13  -3.162  -1.131  -0.539
   97    HG2  LYS  13           2HG      LYS  13  -2.023  -1.436   1.412
   98    HG3  LYS  13           1HG      LYS  13  -1.468  -2.911   0.551
   99    HD2  LYS  13           2HD      LYS  13   0.513  -1.435  -0.285
  100    HD3  LYS  13           1HD      LYS  13  -0.038  -0.202   0.879
  101    HE2  LYS  13           2HE      LYS  13   1.811  -1.530   1.894
  102    HE3  LYS  13           1HE      LYS  13   0.273  -1.892   2.780
  103    HZ1  LYS  13           3HZ      LYS  13   1.532  -3.865   2.295
  104    HZ2  LYS  13           1HZ      LYS  13   1.497  -3.541   0.627
  105    HZ3  LYS  13           2HZ      LYS  13   0.054  -3.887   1.455
  106    H    VAL  14           H        VAL  14  -1.105  -4.421  -1.507
  107    HA   VAL  14           HA       VAL  14   1.620  -3.889  -1.610
  108    HB   VAL  14           HB       VAL  14   0.492  -5.755  -0.474
  109   HG11  VAL  14          1HG1      VAL  14   0.049  -7.154  -3.161
  110   HG12  VAL  14          2HG1      VAL  14  -1.224  -6.330  -2.183
  111   HG13  VAL  14          3HG1      VAL  14  -0.360  -7.762  -1.523
  112   HG21  VAL  14          3HG2      VAL  14   2.484  -6.766  -2.603
  113   HG22  VAL  14          1HG2      VAL  14   2.208  -7.537  -0.992
  114   HG23  VAL  14          2HG2      VAL  14   2.973  -5.898  -1.090
  115    H    PHE  15           H        PHE  15  -0.665  -4.788  -3.800
  116    HA   PHE  15           HA       PHE  15   1.046  -5.506  -6.055
  117    HB2  PHE  15           2HB      PHE  15  -1.996  -4.950  -6.039
  118    HB3  PHE  15           1HB      PHE  15  -1.069  -5.540  -7.472
  119    HD1  PHE  15           1HD      PHE  15   0.618  -7.624  -6.774
  120    HD2  PHE  15           2HD      PHE  15  -3.164  -6.654  -4.971
  121    HE1  PHE  15           1HE      PHE  15   0.355  -9.972  -6.059
  122    HE2  PHE  15           2HE      PHE  15  -3.436  -9.017  -4.286
  123    HZ   PHE  15           HZ       PHE  15  -1.672 -10.675  -4.815
  124    H    ASN  16           H        ASN  16  -0.583  -2.602  -4.885
  125    HA   ASN  16           HA       ASN  16  -0.228  -1.139  -7.321
  126    HB2  ASN  16           2HB      ASN  16  -0.947  -0.199  -4.472
  127    HB3  ASN  16           1HB      ASN  16  -1.029   0.821  -5.960
  128   HD21  ASN  16          1HD2      ASN  16  -3.230   0.240  -4.171
  129   HD22  ASN  16          2HD2      ASN  16  -4.449  -0.621  -5.090
  130    H    HIS  17           H        HIS  17   1.477  -1.470  -4.147
  131    HA   HIS  17           HA       HIS  17   2.848   0.773  -4.370
  132    HB2  HIS  17           2HB      HIS  17   3.923   0.271  -2.325
  133    HB3  HIS  17           1HB      HIS  17   2.248  -0.366  -2.267
  134    HD1  HIS  17           1HD      HIS  17   3.160  -1.705  -0.216
  135    HD2  HIS  17           2HD      HIS  17   4.844  -2.934  -3.862
  136    HE1  HIS  17           1HE      HIS  17   4.338  -3.941   0.150
  137    H    GLY  18           H        GLY  18   5.483   0.411  -3.638
  138    HA2  GLY  18           2HA      GLY  18   6.794  -1.227  -5.641
  139    HA3  GLY  18           1HA      GLY  18   6.994   0.582  -5.685
  140    H    GLU  19           H        GLU  19   7.027   1.334  -3.138
  141    HA   GLU  19           HA       GLU  19   8.181   1.603  -1.361
  142    HB2  GLU  19           2HB      GLU  19   8.727  -1.409  -1.305
  143    HB3  GLU  19           1HB      GLU  19   8.962  -0.271   0.063
  144    HG2  GLU  19           2HG      GLU  19   6.268  -0.963  -1.292
  145    HG3  GLU  19           1HG      GLU  19   6.862  -1.608   0.278
  146    H    HIS  20           H        HIS  20   9.469   2.578  -3.273
  147    HA   HIS  20           HA       HIS  20  12.285   1.797  -2.929
  148    HB2  HIS  20           2HB      HIS  20  12.598   2.765  -5.312
  149    HB3  HIS  20           1HB      HIS  20  11.753   1.198  -5.195
  150    HD1  HIS  20           1HD      HIS  20  10.698   4.898  -5.603
  151    HD2  HIS  20           2HD      HIS  20   9.333   1.011  -6.382
  152    HE1  HIS  20           1HE      HIS  20   8.513   5.073  -6.911
  153    H    ILE  21           H        ILE  21  13.327   4.206  -4.120
  154    HA   ILE  21           HA       ILE  21  12.381   6.182  -2.219
  155    HB   ILE  21           HB       ILE  21  14.416   7.427  -3.067
  156   HG12  ILE  21          2HG1      ILE  21  15.232   4.642  -4.112
  157   HG13  ILE  21          1HG1      ILE  21  14.748   6.023  -5.157
  158   HG21  ILE  21          1HG2      ILE  21  14.732   4.755  -1.558
  159   HG22  ILE  21          2HG2      ILE  21  14.085   6.289  -0.871
  160   HG23  ILE  21          3HG2      ILE  21  15.806   6.200  -1.407
  161   HD11  ILE  21          3HD1      ILE  21  17.170   5.974  -3.241
  162   HD12  ILE  21          1HD1      ILE  21  16.647   7.389  -4.233
  163   HD13  ILE  21          2HD1      ILE  21  17.207   5.877  -5.038
  164    H    HIS  22           H        HIS  22  11.723   8.178  -2.856
  165    HA   HIS  22           HA       HIS  22  10.537   9.585  -3.945
  166    HB2  HIS  22           2HB      HIS  22  11.411   8.427  -6.644
  167    HB3  HIS  22           1HB      HIS  22  10.563   9.983  -6.355
  168    HD1  HIS  22           1HD      HIS  22  13.994   8.370  -5.707
  169    HD2  HIS  22           2HD      HIS  22  12.169  12.148  -5.712
  170    HE1  HIS  22           1HE      HIS  22  15.823  10.136  -5.448
  171    H    HIS  23           H        HIS  23   9.702   6.842  -3.118
  172    HA   HIS  23           HA       HIS  23   7.574   6.152  -4.926
  173    HB2  HIS  23           2HB      HIS  23   8.763   4.399  -3.595
  174    HB3  HIS  23           1HB      HIS  23   8.172   5.155  -2.082
  175    HD1  HIS  23           1HD      HIS  23   6.564   3.786  -5.340
  176    HD2  HIS  23           2HD      HIS  23   5.884   3.890  -1.202
  177    HE1  HIS  23           1HE      HIS  23   4.433   2.464  -4.852
  Start of MODEL    9
    1    H1   PHE   1           1HT      PHE   1 -13.824  -3.256   8.612
    2    H2   PHE   1           2HT      PHE   1 -14.763  -3.128   7.202
    3    H3   PHE   1           3HT      PHE   1 -14.848  -4.533   8.151
    4    HA   PHE   1           HA       PHE   1 -15.789  -3.318   9.958
    5    HB2  PHE   1           2HB      PHE   1 -15.770  -0.922   7.980
    6    HB3  PHE   1           1HB      PHE   1 -16.535  -0.893   9.612
    7    HD1  PHE   1           2HD      PHE   1 -14.813  -1.843  11.548
    8    HD2  PHE   1           1HD      PHE   1 -13.779   0.268   7.946
    9    HE1  PHE   1           2HE      PHE   1 -12.761  -0.995  12.629
   10    HE2  PHE   1           1HE      PHE   1 -11.728   1.115   9.033
   11    HZ   PHE   1           HZ       PHE   1 -11.220   0.493  11.380
   12    H    GLU   2           H        GLU   2 -18.120  -1.708   9.259
   13    HA   GLU   2           HA       GLU   2 -19.741  -3.587   7.772
   14    HB2  GLU   2           2HB      GLU   2 -20.410  -0.863   9.048
   15    HB3  GLU   2           1HB      GLU   2 -21.605  -1.999   8.331
   16    HG2  GLU   2           2HG      GLU   2 -19.846  -2.515  10.826
   17    HG3  GLU   2           1HG      GLU   2 -21.599  -2.107  10.818
   18    H    ASP   3           H        ASP   3 -17.802  -0.699   7.345
   19    HA   ASP   3           HA       ASP   3 -18.810  -0.053   4.710
   20    HB2  ASP   3           2HB      ASP   3 -18.339   1.660   6.649
   21    HB3  ASP   3           1HB      ASP   3 -16.611   1.271   6.374
   22    H    LEU   4           H        LEU   4 -16.245   0.710   4.423
   23    HA   LEU   4           HA       LEU   4 -15.205  -1.372   2.886
   24    HB2  LEU   4           2HB      LEU   4 -13.037   0.049   2.599
   25    HB3  LEU   4           1HB      LEU   4 -14.605   0.597   1.952
   26    HG   LEU   4           HG       LEU   4 -14.971   2.047   3.879
   27   HD11  LEU   4          1HD1      LEU   4 -12.102   1.309   4.751
   28   HD12  LEU   4          2HD1      LEU   4 -13.625   1.102   5.699
   29   HD13  LEU   4          3HD1      LEU   4 -13.011   2.748   5.346
   30   HD21  LEU   4          3HD2      LEU   4 -13.367   3.826   3.178
   31   HD22  LEU   4          1HD2      LEU   4 -13.999   2.906   1.762
   32   HD23  LEU   4          2HD2      LEU   4 -12.333   2.583   2.375
   33    HA   PRO   5           HA       PRO   5 -13.003  -3.756   5.670
   34    HB2  PRO   5           2HB      PRO   5 -10.850  -4.265   3.574
   35    HB3  PRO   5           1HB      PRO   5 -11.913  -5.467   4.415
   36    HG2  PRO   5           2HG      PRO   5 -12.429  -4.802   1.831
   37    HG3  PRO   5           1HG      PRO   5 -13.823  -4.789   3.006
   38    HD2  PRO   5           2HD      PRO   5 -12.060  -2.402   2.240
   39    HD3  PRO   5           1HD      PRO   5 -13.869  -2.570   2.049
   40    H    ASN   6           H        ASN   6 -10.684  -4.529   6.311
   41    HA   ASN   6           HA       ASN   6  -9.013  -2.162   6.908
   42    HB2  ASN   6           2HB      ASN   6  -9.493  -4.746   8.548
   43    HB3  ASN   6           1HB      ASN   6  -8.191  -3.548   8.906
   44   HD21  ASN   6          1HD2      ASN   6 -11.617  -4.259   9.214
   45   HD22  ASN   6          2HD2      ASN   6 -12.075  -2.777  10.032
   46    H    PHE   7           H        PHE   7  -8.856  -5.777   6.735
   47    HA   PHE   7           HA       PHE   7  -6.137  -5.638   5.896
   48    HB2  PHE   7           2HB      PHE   7  -7.054  -7.396   7.507
   49    HB3  PHE   7           1HB      PHE   7  -7.978  -8.109   6.136
   50    HD1  PHE   7           2HD      PHE   7  -4.475  -7.051   7.122
   51    HD2  PHE   7           1HD      PHE   7  -6.900  -9.777   4.848
   52    HE1  PHE   7           2HE      PHE   7  -2.447  -8.291   6.444
   53    HE2  PHE   7           1HE      PHE   7  -4.869 -11.017   4.172
   54    HZ   PHE   7           HZ       PHE   7  -2.638 -10.274   4.965
   55    H    GLY   8           H        GLY   8  -9.204  -5.534   4.302
   56    HA2  GLY   8           2HA      GLY   8  -8.373  -6.852   1.886
   57    HA3  GLY   8           1HA      GLY   8  -9.888  -5.951   2.239
   58    H    HIS   9           H        HIS   9  -7.289  -4.060   3.206
   59    HA   HIS   9           HA       HIS   9  -7.149  -2.588   0.671
   60    HB2  HIS   9           2HB      HIS   9  -6.395  -1.811   3.557
   61    HB3  HIS   9           1HB      HIS   9  -6.117  -0.771   2.113
   62    HD1  HIS   9           1HD      HIS   9  -7.823   0.400   4.307
   63    HD2  HIS   9           2HD      HIS   9  -9.473  -1.780   1.122
   64    HE1  HIS   9           1HE      HIS   9 -10.245   1.148   3.997
   65    H    ILE  10           H        ILE  10  -5.470  -4.480   3.111
   66    HA   ILE  10           HA       ILE  10  -2.862  -3.607   2.505
   67    HB   ILE  10           HB       ILE  10  -3.786  -6.170   3.931
   68   HG12  ILE  10          2HG1      ILE  10  -4.923  -4.297   4.970
   69   HG13  ILE  10          1HG1      ILE  10  -3.668  -4.985   6.049
   70   HG21  ILE  10          1HG2      ILE  10  -1.397  -6.266   3.378
   71   HG22  ILE  10          2HG2      ILE  10  -1.578  -5.966   5.140
   72   HG23  ILE  10          3HG2      ILE  10  -1.122  -4.608   4.041
   73   HD11  ILE  10          3HD1      ILE  10  -3.452  -2.351   4.446
   74   HD12  ILE  10          1HD1      ILE  10  -2.175  -3.026   5.538
   75   HD13  ILE  10          2HD1      ILE  10  -3.782  -2.539   6.207
   76    H    GLN  11           H        GLN  11  -4.873  -6.355   1.570
   77    HA   GLN  11           HA       GLN  11  -2.738  -7.765   0.328
   78    HB2  GLN  11           2HB      GLN  11  -4.493  -9.349  -0.425
   79    HB3  GLN  11           1HB      GLN  11  -4.615  -8.961   1.322
   80    HG2  GLN  11           2HG      GLN  11  -6.459  -7.266   0.771
   81    HG3  GLN  11           1HG      GLN  11  -6.394  -7.820  -0.941
   82   HE21  GLN  11          1HE2      GLN  11  -6.777  -9.047   2.457
   83   HE22  GLN  11          2HE2      GLN  11  -7.870 -10.356   2.055
   84    H    VAL  12           H        VAL  12  -4.486  -5.009  -0.610
   85    HA   VAL  12           HA       VAL  12  -4.420  -5.609  -3.462
   86    HB   VAL  12           HB       VAL  12  -5.693  -3.296  -1.909
   87   HG11  VAL  12          1HG1      VAL  12  -5.160  -2.613  -4.248
   88   HG12  VAL  12          2HG1      VAL  12  -6.923  -2.912  -4.095
   89   HG13  VAL  12          3HG1      VAL  12  -5.873  -4.146  -4.885
   90   HG21  VAL  12          3HG2      VAL  12  -7.846  -4.498  -2.460
   91   HG22  VAL  12          1HG2      VAL  12  -6.798  -5.453  -1.359
   92   HG23  VAL  12          2HG2      VAL  12  -6.892  -5.883  -3.110
   93    H    LYS  13           H        LYS  13  -2.950  -3.694  -0.892
   94    HA   LYS  13           HA       LYS  13  -1.990  -1.681  -2.651
   95    HB2  LYS  13           2HB      LYS  13  -1.169  -0.545  -0.776
   96    HB3  LYS  13           1HB      LYS  13  -2.757  -1.301  -0.304
   97    HG2  LYS  13           2HG      LYS  13  -1.569  -1.708   1.588
   98    HG3  LYS  13           1HG      LYS  13  -1.174  -3.202   0.668
   99    HD2  LYS  13           2HD      LYS  13   0.950  -2.142  -0.097
  100    HD3  LYS  13           1HD      LYS  13   0.497  -0.626   0.723
  101    HE2  LYS  13           2HE      LYS  13   2.181  -1.901   2.094
  102    HE3  LYS  13           1HE      LYS  13   0.602  -1.772   2.974
  103    HZ1  LYS  13           3HZ      LYS  13   0.071  -3.991   2.233
  104    HZ2  LYS  13           1HZ      LYS  13   1.532  -3.967   3.098
  105    HZ3  LYS  13           2HZ      LYS  13   1.549  -4.115   1.406
  106    H    VAL  14           H        VAL  14  -0.736  -4.548  -1.634
  107    HA   VAL  14           HA       VAL  14   1.969  -3.981  -2.000
  108    HB   VAL  14           HB       VAL  14   2.151  -6.489  -2.317
  109   HG11  VAL  14          1HG1      VAL  14   2.065  -5.290  -0.070
  110   HG12  VAL  14          2HG1      VAL  14   1.348  -6.955   0.032
  111   HG13  VAL  14          3HG1      VAL  14   0.270  -5.511  -0.100
  112   HG21  VAL  14          3HG2      VAL  14   0.108  -7.910  -1.906
  113   HG22  VAL  14          1HG2      VAL  14   0.090  -7.093  -3.499
  114   HG23  VAL  14          2HG2      VAL  14  -0.930  -6.464  -2.148
  115    H    PHE  15           H        PHE  15  -0.578  -4.754  -3.918
  116    HA   PHE  15           HA       PHE  15   0.888  -5.313  -6.406
  117    HB2  PHE  15           2HB      PHE  15  -2.162  -5.041  -6.026
  118    HB3  PHE  15           1HB      PHE  15  -1.349  -5.508  -7.566
  119    HD1  PHE  15           1HD      PHE  15   0.565  -7.454  -7.138
  120    HD2  PHE  15           2HD      PHE  15  -3.049  -6.860  -4.884
  121    HE1  PHE  15           1HE      PHE  15   0.588  -9.831  -6.476
  122    HE2  PHE  15           2HE      PHE  15  -3.036  -9.253  -4.246
  123    HZ   PHE  15           HZ       PHE  15  -1.213 -10.738  -5.030
  124    H    ASN  16           H        ASN  16  -0.638  -2.567  -4.849
  125    HA   ASN  16           HA       ASN  16  -0.731  -0.924  -7.169
  126    HB2  ASN  16           2HB      ASN  16  -2.148  -0.544  -5.094
  127    HB3  ASN  16           1HB      ASN  16  -0.660  -0.137  -4.180
  128   HD21  ASN  16          1HD2      ASN  16  -0.129   2.021  -4.131
  129   HD22  ASN  16          2HD2      ASN  16  -0.693   3.247  -5.250
  130    H    HIS  17           H        HIS  17   1.540  -1.393  -4.348
  131    HA   HIS  17           HA       HIS  17   3.342   0.394  -5.138
  132    HB2  HIS  17           2HB      HIS  17   3.651  -2.054  -3.338
  133    HB3  HIS  17           1HB      HIS  17   4.877  -0.738  -3.474
  134    HD1  HIS  17           1HD      HIS  17   4.020  -0.983  -0.733
  135    HD2  HIS  17           2HD      HIS  17   1.670   1.240  -3.407
  136    HE1  HIS  17           1HE      HIS  17   2.581   0.638   0.619
  137    H    GLY  18           H        GLY  18   5.691  -0.072  -5.758
  138    HA2  GLY  18           2HA      GLY  18   6.502  -2.538  -6.701
  139    HA3  GLY  18           1HA      GLY  18   5.857  -1.544  -8.084
  140    H    GLU  19           H        GLU  19   7.661  -0.885  -5.058
  141    HA   GLU  19           HA       GLU  19   9.462   0.123  -4.541
  142    HB2  GLU  19           2HB      GLU  19  10.508  -0.302  -7.376
  143    HB3  GLU  19           1HB      GLU  19  11.474   0.244  -5.960
  144    HG2  GLU  19           2HG      GLU  19  10.956  -1.908  -4.770
  145    HG3  GLU  19           1HG      GLU  19  10.027  -2.482  -6.206
  146    H    HIS  20           H        HIS  20   8.913   2.136  -3.943
  147    HA   HIS  20           HA       HIS  20   8.494   4.162  -6.007
  148    HB2  HIS  20           2HB      HIS  20   8.084   4.322  -2.969
  149    HB3  HIS  20           1HB      HIS  20   7.587   5.559  -4.183
  150    HD1  HIS  20           1HD      HIS  20   5.929   4.187  -6.198
  151    HD2  HIS  20           2HD      HIS  20   5.920   2.845  -2.223
  152    HE1  HIS  20           1HE      HIS  20   3.789   2.840  -5.816
  153    H    ILE  21           H        ILE  21   9.363   6.440  -5.185
  154    HA   ILE  21           HA       ILE  21  12.205   6.138  -4.824
  155    HB   ILE  21           HB       ILE  21  12.080   8.700  -5.217
  156   HG12  ILE  21          2HG1      ILE  21  10.192   9.434  -6.626
  157   HG13  ILE  21          1HG1      ILE  21   9.284   7.929  -6.283
  158   HG21  ILE  21          1HG2      ILE  21  12.072   8.276  -7.654
  159   HG22  ILE  21          2HG2      ILE  21  11.305   6.664  -7.394
  160   HG23  ILE  21          3HG2      ILE  21  12.970   6.988  -6.770
  161   HD11  ILE  21          3HD1      ILE  21  10.126   9.999  -4.138
  162   HD12  ILE  21          1HD1      ILE  21   9.012   8.598  -3.908
  163   HD13  ILE  21          2HD1      ILE  21   8.523   9.968  -4.962
  164    H    HIS  22           H        HIS  22  13.214   7.978  -3.449
  165    HA   HIS  22           HA       HIS  22  11.932   7.993  -0.822
  166    HB2  HIS  22           2HB      HIS  22  14.288   7.179  -0.933
  167    HB3  HIS  22           1HB      HIS  22  14.801   8.717  -1.688
  168    HD1  HIS  22           1HD      HIS  22  14.519  10.908   0.020
  169    HD2  HIS  22           2HD      HIS  22  14.204   7.130   1.817
  170    HE1  HIS  22           1HE      HIS  22  14.811  11.199   2.543
  171    H    HIS  23           H        HIS  23  13.871  10.107  -2.913
  172    HA   HIS  23           HA       HIS  23  12.459  12.466  -1.970
  173    HB2  HIS  23           2HB      HIS  23  14.962  12.467  -2.154
  174    HB3  HIS  23           1HB      HIS  23  14.824  12.210  -3.923
  175    HD1  HIS  23           1HD      HIS  23  13.514  14.348  -5.205
  176    HD2  HIS  23           2HD      HIS  23  14.909  15.075  -1.315
  177    HE1  HIS  23           1HE      HIS  23  13.604  16.877  -4.852
  Start of MODEL   10
    1    H1   PHE   1           1HT      PHE   1 -13.612  -3.117  -4.411
    2    H2   PHE   1           2HT      PHE   1 -12.625  -4.439  -4.004
    3    H3   PHE   1           3HT      PHE   1 -13.709  -3.804  -2.861
    4    HA   PHE   1           HA       PHE   1 -14.447  -5.087  -5.408
    5    HB2  PHE   1           2HB      PHE   1 -14.760  -6.116  -2.495
    6    HB3  PHE   1           1HB      PHE   1 -15.372  -6.970  -3.967
    7    HD1  PHE   1           2HD      PHE   1 -12.818  -6.508  -5.752
    8    HD2  PHE   1           1HD      PHE   1 -13.409  -7.840  -1.697
    9    HE1  PHE   1           2HE      PHE   1 -10.693  -7.737  -5.840
   10    HE2  PHE   1           1HE      PHE   1 -11.277  -9.079  -1.802
   11    HZ   PHE   1           HZ       PHE   1  -9.904  -9.019  -3.868
   12    H    GLU   2           H        GLU   2 -16.650  -5.683  -2.913
   13    HA   GLU   2           HA       GLU   2 -18.427  -3.532  -3.747
   14    HB2  GLU   2           2HB      GLU   2 -18.821  -5.925  -1.845
   15    HB3  GLU   2           1HB      GLU   2 -20.080  -4.700  -2.251
   16    HG2  GLU   2           2HG      GLU   2 -19.948  -5.382  -4.669
   17    HG3  GLU   2           1HG      GLU   2 -18.719  -6.634  -4.251
   18    H    ASP   3           H        ASP   3 -17.261  -5.077  -0.682
   19    HA   ASP   3           HA       ASP   3 -16.235  -2.643   0.264
   20    HB2  ASP   3           2HB      ASP   3 -17.411  -2.653   2.484
   21    HB3  ASP   3           1HB      ASP   3 -18.425  -2.073   1.119
   22    H    LEU   4           H        LEU   4 -14.350  -3.492   0.534
   23    HA   LEU   4           HA       LEU   4 -14.068  -6.180   1.577
   24    HB2  LEU   4           2HB      LEU   4 -11.539  -5.783   1.004
   25    HB3  LEU   4           1HB      LEU   4 -12.748  -6.138  -0.257
   26    HG   LEU   4           HG       LEU   4 -12.971  -3.741  -0.781
   27   HD11  LEU   4          1HD1      LEU   4 -12.170  -2.592   1.253
   28   HD12  LEU   4          2HD1      LEU   4 -11.103  -2.149  -0.121
   29   HD13  LEU   4          3HD1      LEU   4 -10.546  -3.358   1.095
   30   HD21  LEU   4          3HD2      LEU   4 -10.836  -3.597  -2.080
   31   HD22  LEU   4          1HD2      LEU   4 -11.556  -5.248  -2.136
   32   HD23  LEU   4          2HD2      LEU   4 -10.138  -4.923  -1.077
   33    HA   PRO   5           HA       PRO   5 -13.098  -4.792   5.513
   34    HB2  PRO   5           2HB      PRO   5 -10.796  -6.794   5.649
   35    HB3  PRO   5           1HB      PRO   5 -12.228  -6.633   6.749
   36    HG2  PRO   5           2HG      PRO   5 -12.210  -8.635   4.919
   37    HG3  PRO   5           1HG      PRO   5 -13.702  -7.588   4.998
   38    HD2  PRO   5           2HD      PRO   5 -11.314  -7.196   3.132
   39    HD3  PRO   5           1HD      PRO   5 -13.069  -7.451   2.703
   40    H    ASN   6           H        ASN   6 -11.160  -4.583   7.147
   41    HA   ASN   6           HA       ASN   6  -9.639  -2.318   6.356
   42    HB2  ASN   6           2HB      ASN   6  -9.422  -4.068   8.893
   43    HB3  ASN   6           1HB      ASN   6  -8.627  -2.463   8.672
   44   HD21  ASN   6          1HD2      ASN   6 -10.258  -0.661   7.892
   45   HD22  ASN   6          2HD2      ASN   6 -11.778  -0.594   8.762
   46    H    PHE   7           H        PHE   7  -8.978  -5.782   6.867
   47    HA   PHE   7           HA       PHE   7  -6.158  -5.548   6.336
   48    HB2  PHE   7           2HB      PHE   7  -7.989  -8.027   6.572
   49    HB3  PHE   7           1HB      PHE   7  -6.180  -8.050   6.525
   50    HD1  PHE   7           1HD      PHE   7  -4.940  -6.663   8.334
   51    HD2  PHE   7           2HD      PHE   7  -9.085  -7.765   8.646
   52    HE1  PHE   7           1HE      PHE   7  -4.861  -6.277  10.776
   53    HE2  PHE   7           2HE      PHE   7  -9.003  -7.377  11.088
   54    HZ   PHE   7           HZ       PHE   7  -6.892  -6.632  12.157
   55    H    GLY   8           H        GLY   8  -9.058  -5.641   4.503
   56    HA2  GLY   8           2HA      GLY   8  -7.940  -7.008   2.231
   57    HA3  GLY   8           1HA      GLY   8  -9.558  -6.246   2.436
   58    H    HIS   9           H        HIS   9  -7.208  -4.061   3.483
   59    HA   HIS   9           HA       HIS   9  -7.284  -2.603   0.956
   60    HB2  HIS   9           2HB      HIS   9  -6.205  -1.781   3.718
   61    HB3  HIS   9           1HB      HIS   9  -6.299  -0.725   2.261
   62    HD1  HIS   9           1HD      HIS   9  -9.205  -1.232   1.334
   63    HD2  HIS   9           2HD      HIS   9  -8.137  -0.704   5.355
   64    HE1  HIS   9           1HE      HIS   9 -11.272  -0.437   2.607
   65    H    ILE  10           H        ILE  10  -5.216  -4.392   3.168
   66    HA   ILE  10           HA       ILE  10  -2.757  -3.479   2.103
   67    HB   ILE  10           HB       ILE  10  -3.482  -5.714   4.060
   68   HG12  ILE  10          2HG1      ILE  10  -1.977  -3.886   5.434
   69   HG13  ILE  10          1HG1      ILE  10  -2.716  -2.785   4.221
   70   HG21  ILE  10          1HG2      ILE  10  -0.694  -4.703   3.164
   71   HG22  ILE  10          2HG2      ILE  10  -1.352  -6.374   2.963
   72   HG23  ILE  10          3HG2      ILE  10  -1.007  -5.742   4.603
   73   HD11  ILE  10          3HD1      ILE  10  -4.055  -2.854   6.322
   74   HD12  ILE  10          1HD1      ILE  10  -4.198  -4.646   6.201
   75   HD13  ILE  10          2HD1      ILE  10  -5.012  -3.590   4.986
   76    H    GLN  11           H        GLN  11  -4.928  -6.182   1.524
   77    HA   GLN  11           HA       GLN  11  -3.055  -7.761   0.109
   78    HB2  GLN  11           2HB      GLN  11  -4.864  -9.213  -0.510
   79    HB3  GLN  11           1HB      GLN  11  -5.108  -8.682   1.188
   80    HG2  GLN  11           2HG      GLN  11  -6.754  -6.927   0.329
   81    HG3  GLN  11           1HG      GLN  11  -6.588  -7.626  -1.322
   82   HE21  GLN  11          1HE2      GLN  11  -9.072  -7.644  -0.531
   83   HE22  GLN  11          2HE2      GLN  11  -9.620  -9.210   0.033
   84    H    VAL  12           H        VAL  12  -4.779  -4.885  -0.805
   85    HA   VAL  12           HA       VAL  12  -4.664  -5.532  -3.644
   86    HB   VAL  12           HB       VAL  12  -5.901  -3.129  -2.214
   87   HG11  VAL  12          1HG1      VAL  12  -7.029  -2.816  -4.482
   88   HG12  VAL  12          2HG1      VAL  12  -5.974  -4.116  -5.155
   89   HG13  VAL  12          3HG1      VAL  12  -5.251  -2.577  -4.562
   90   HG21  VAL  12          3HG2      VAL  12  -8.076  -4.280  -2.782
   91   HG22  VAL  12          1HG2      VAL  12  -7.093  -5.231  -1.619
   92   HG23  VAL  12          2HG2      VAL  12  -7.152  -5.720  -3.353
   93    H    LYS  13           H        LYS  13  -3.313  -3.448  -1.126
   94    HA   LYS  13           HA       LYS  13  -2.174  -1.617  -2.974
   95    HB2  LYS  13           2HB      LYS  13  -1.406  -0.380  -1.121
   96    HB3  LYS  13           1HB      LYS  13  -3.007  -1.091  -0.632
   97    HG2  LYS  13           2HG      LYS  13  -1.874  -1.511   1.293
   98    HG3  LYS  13           1HG      LYS  13  -1.364  -2.983   0.392
   99    HD2  LYS  13           2HD      LYS  13   0.645  -1.598  -0.424
  100    HD3  LYS  13           1HD      LYS  13   0.174  -0.334   0.741
  101    HE2  LYS  13           2HE      LYS  13   0.913  -3.270   1.456
  102    HE3  LYS  13           1HE      LYS  13   1.982  -1.827   1.688
  103    HZ1  LYS  13           3HZ      LYS  13  -0.654  -2.284   2.986
  104    HZ2  LYS  13           1HZ      LYS  13   0.350  -0.931   3.205
  105    HZ3  LYS  13           2HZ      LYS  13   0.874  -2.468   3.704
  106    H    VAL  14           H        VAL  14  -1.113  -4.448  -1.716
  107    HA   VAL  14           HA       VAL  14   1.621  -4.087  -1.801
  108    HB   VAL  14           HB       VAL  14   0.392  -5.947  -0.795
  109   HG11  VAL  14          1HG1      VAL  14  -0.125  -7.149  -3.562
  110   HG12  VAL  14          2HG1      VAL  14  -1.355  -6.323  -2.532
  111   HG13  VAL  14          3HG1      VAL  14  -0.566  -7.836  -1.965
  112   HG21  VAL  14          3HG2      VAL  14   2.325  -6.951  -2.985
  113   HG22  VAL  14          1HG2      VAL  14   2.014  -7.778  -1.410
  114   HG23  VAL  14          2HG2      VAL  14   2.867  -6.179  -1.439
  115    H    PHE  15           H        PHE  15  -0.688  -4.729  -4.064
  116    HA   PHE  15           HA       PHE  15   0.966  -5.478  -6.321
  117    HB2  PHE  15           2HB      PHE  15  -2.022  -4.703  -6.271
  118    HB3  PHE  15           1HB      PHE  15  -1.150  -5.289  -7.742
  119    HD1  PHE  15           2HD      PHE  15   0.419  -7.488  -7.142
  120    HD2  PHE  15           1HD      PHE  15  -3.293  -6.392  -5.276
  121    HE1  PHE  15           2HE      PHE  15   0.043  -9.844  -6.517
  122    HE2  PHE  15           1HE      PHE  15  -3.688  -8.763  -4.686
  123    HZ   PHE  15           HZ       PHE  15  -2.015 -10.490  -5.290
  124    H    ASN  16           H        ASN  16  -0.351  -2.439  -5.105
  125    HA   ASN  16           HA       ASN  16   0.290  -0.983  -7.488
  126    HB2  ASN  16           2HB      ASN  16  -1.599  -0.336  -5.905
  127    HB3  ASN  16           1HB      ASN  16  -0.374   0.029  -4.646
  128   HD21  ASN  16          1HD2      ASN  16  -1.051   0.772  -8.155
  129   HD22  ASN  16          2HD2      ASN  16  -0.644   2.474  -8.061
  130    H    HIS  17           H        HIS  17   1.669  -1.492  -4.169
  131    HA   HIS  17           HA       HIS  17   3.603   0.251  -4.236
  132    HB2  HIS  17           2HB      HIS  17   2.695  -0.980  -2.243
  133    HB3  HIS  17           1HB      HIS  17   3.568  -2.452  -2.783
  134    HD1  HIS  17           1HD      HIS  17   5.065  -2.394  -0.572
  135    HD2  HIS  17           2HD      HIS  17   5.335   1.095  -2.875
  136    HE1  HIS  17           1HE      HIS  17   6.994  -0.993   0.349
  137    H    GLY  18           H        GLY  18   3.739  -3.194  -5.047
  138    HA2  GLY  18           2HA      GLY  18   6.566  -3.150  -5.563
  139    HA3  GLY  18           1HA      GLY  18   5.407  -4.529  -5.640
  140    H    GLU  19           H        GLU  19   3.531  -3.224  -7.427
  141    HA   GLU  19           HA       GLU  19   3.010  -3.227  -9.509
  142    HB2  GLU  19           2HB      GLU  19   5.842  -2.259 -10.106
  143    HB3  GLU  19           1HB      GLU  19   4.601  -2.502 -11.370
  144    HG2  GLU  19           2HG      GLU  19   4.253  -0.613  -8.949
  145    HG3  GLU  19           1HG      GLU  19   4.834  -0.103 -10.576
  146    H    HIS  20           H        HIS  20   2.560  -5.403  -9.295
  147    HA   HIS  20           HA       HIS  20   4.606  -7.336  -9.968
  148    HB2  HIS  20           2HB      HIS  20   1.666  -7.627  -9.111
  149    HB3  HIS  20           1HB      HIS  20   2.778  -9.000  -9.439
  150    HD1  HIS  20           1HD      HIS  20   2.946  -5.877  -7.120
  151    HD2  HIS  20           2HD      HIS  20   3.819  -9.981  -7.119
  152    HE1  HIS  20           1HE      HIS  20   3.828  -6.504  -4.806
  153    H    ILE  21           H        ILE  21   4.857  -8.142 -12.048
  154    HA   ILE  21           HA       ILE  21   3.180  -7.098 -14.056
  155    HB   ILE  21           HB       ILE  21   5.713  -8.815 -14.093
  156   HG12  ILE  21          2HG1      ILE  21   6.216  -6.771 -12.865
  157   HG13  ILE  21          1HG1      ILE  21   6.953  -6.747 -14.495
  158   HG21  ILE  21          1HG2      ILE  21   5.907  -7.896 -16.418
  159   HG22  ILE  21          2HG2      ILE  21   4.289  -7.101 -16.223
  160   HG23  ILE  21          3HG2      ILE  21   4.427  -8.900 -16.191
  161   HD11  ILE  21          3HD1      ILE  21   5.142  -5.181 -15.298
  162   HD12  ILE  21          1HD1      ILE  21   6.065  -4.514 -13.905
  163   HD13  ILE  21          2HD1      ILE  21   4.420  -5.185 -13.644
  164    H    HIS  22           H        HIS  22   4.663 -10.313 -13.937
  165    HA   HIS  22           HA       HIS  22   2.159 -11.539 -14.781
  166    HB2  HIS  22           2HB      HIS  22   4.967 -12.773 -14.439
  167    HB3  HIS  22           1HB      HIS  22   3.511 -13.611 -15.082
  168    HD1  HIS  22           1HD      HIS  22   6.118 -11.020 -16.061
  169    HD2  HIS  22           2HD      HIS  22   2.817 -12.978 -17.754
  170    HE1  HIS  22           1HE      HIS  22   6.131 -10.569 -18.575
  171    H    HIS  23           H        HIS  23   4.755 -11.991 -12.425
  172    HA   HIS  23           HA       HIS  23   2.974 -13.482 -10.637
  173    HB2  HIS  23           2HB      HIS  23   6.016 -13.066 -10.539
  174    HB3  HIS  23           1HB      HIS  23   5.057 -14.099  -9.416
  175    HD1  HIS  23           1HD      HIS  23   3.560 -16.041 -10.909
  176    HD2  HIS  23           2HD      HIS  23   7.024 -14.465 -12.675
  177    HE1  HIS  23           1HE      HIS  23   4.284 -17.619 -12.783
  Start of MODEL   11
    1    H1   PHE   1           1HT      PHE   1  -8.117  -0.036  -5.424
    2    H2   PHE   1           2HT      PHE   1  -9.427   1.024  -5.642
    3    H3   PHE   1           3HT      PHE   1  -9.575  -0.610  -6.082
    4    HA   PHE   1           HA       PHE   1  -9.372  -1.298  -3.840
    5    HB2  PHE   1           2HB      PHE   1  -9.267   1.729  -3.154
    6    HB3  PHE   1           1HB      PHE   1  -9.462   0.404  -1.946
    7    HD1  PHE   1           1HD      PHE   1  -7.545  -1.077  -1.410
    8    HD2  PHE   1           2HD      PHE   1  -7.141   2.098  -4.282
    9    HE1  PHE   1           1HE      PHE   1  -5.092  -1.295  -1.311
   10    HE2  PHE   1           2HE      PHE   1  -4.680   1.871  -4.180
   11    HZ   PHE   1           HZ       PHE   1  -3.651   0.174  -2.694
   12    H    GLU   2           H        GLU   2 -11.036   1.791  -3.623
   13    HA   GLU   2           HA       GLU   2 -12.944   2.583  -4.190
   14    HB2  GLU   2           2HB      GLU   2 -13.947  -0.169  -5.059
   15    HB3  GLU   2           1HB      GLU   2 -14.868   1.370  -5.156
   16    HG2  GLU   2           2HG      GLU   2 -13.167   2.321  -6.727
   17    HG3  GLU   2           1HG      GLU   2 -12.209   0.796  -6.626
   18    H    ASP   3           H        ASP   3 -13.481  -0.667  -2.816
   19    HA   ASP   3           HA       ASP   3 -14.186   0.297  -0.304
   20    HB2  ASP   3           2HB      ASP   3 -16.566  -0.491  -0.156
   21    HB3  ASP   3           1HB      ASP   3 -16.359   1.020  -1.102
   22    H    LEU   4           H        LEU   4 -13.009  -1.160   0.642
   23    HA   LEU   4           HA       LEU   4 -13.759  -3.927   0.431
   24    HB2  LEU   4           2HB      LEU   4 -11.165  -4.537   0.300
   25    HB3  LEU   4           1HB      LEU   4 -12.151  -4.270  -1.163
   26    HG   LEU   4           HG       LEU   4 -11.363  -1.972  -1.358
   27   HD11  LEU   4          1HD1      LEU   4  -9.295  -1.205  -0.104
   28   HD12  LEU   4          2HD1      LEU   4  -9.480  -2.615   1.005
   29   HD13  LEU   4          3HD1      LEU   4 -10.742  -1.332   0.943
   30   HD21  LEU   4          3HD2      LEU   4 -10.280  -3.779  -2.619
   31   HD22  LEU   4          1HD2      LEU   4  -9.177  -4.137  -1.240
   32   HD23  LEU   4          2HD2      LEU   4  -9.028  -2.580  -2.129
   33    HA   PRO   5           HA       PRO   5 -13.135  -3.633   4.635
   34    HB2  PRO   5           2HB      PRO   5 -11.597  -6.270   4.659
   35    HB3  PRO   5           1HB      PRO   5 -13.092  -5.818   5.581
   36    HG2  PRO   5           2HG      PRO   5 -13.354  -7.405   3.397
   37    HG3  PRO   5           1HG      PRO   5 -14.433  -5.935   3.487
   38    HD2  PRO   5           2HD      PRO   5 -11.728  -6.097   2.077
   39    HD3  PRO   5           1HD      PRO   5 -13.363  -5.682   1.374
   40    H    ASN   6           H        ASN   6 -11.565  -4.306   6.521
   41    HA   ASN   6           HA       ASN   6  -9.587  -2.350   6.558
   42    HB2  ASN   6           2HB      ASN   6  -9.941  -4.744   8.478
   43    HB3  ASN   6           1HB      ASN   6  -8.952  -3.275   8.814
   44   HD21  ASN   6          1HD2      ASN   6 -12.004  -4.672   9.272
   45   HD22  ASN   6          2HD2      ASN   6 -12.925  -3.225   9.627
   46    H    PHE   7           H        PHE   7  -9.302  -5.943   6.398
   47    HA   PHE   7           HA       PHE   7  -6.430  -5.821   6.086
   48    HB2  PHE   7           2HB      PHE   7  -8.406  -8.192   5.911
   49    HB3  PHE   7           1HB      PHE   7  -6.601  -8.323   5.939
   50    HD1  PHE   7           1HD      PHE   7  -5.378  -7.227   7.953
   51    HD2  PHE   7           2HD      PHE   7  -9.577  -8.152   7.962
   52    HE1  PHE   7           1HE      PHE   7  -5.390  -7.156  10.425
   53    HE2  PHE   7           2HE      PHE   7  -9.585  -8.081  10.436
   54    HZ   PHE   7           HZ       PHE   7  -7.493  -7.581  11.671
   55    H    GLY   8           H        GLY   8  -9.180  -5.459   4.102
   56    HA2  GLY   8           2HA      GLY   8  -8.294  -6.714   1.744
   57    HA3  GLY   8           1HA      GLY   8  -9.570  -5.463   1.968
   58    H    HIS   9           H        HIS   9  -7.527  -3.629   3.312
   59    HA   HIS   9           HA       HIS   9  -6.781  -2.248   0.976
   60    HB2  HIS   9           2HB      HIS   9  -5.878  -1.816   3.886
   61    HB3  HIS   9           1HB      HIS   9  -5.610  -0.668   2.527
   62    HD1  HIS   9           1HD      HIS   9  -8.099  -1.489   5.130
   63    HD2  HIS   9           2HD      HIS   9  -8.115   0.410   1.394
   64    HE1  HIS   9           1HE      HIS   9 -10.244  -0.116   4.952
   65    H    ILE  10           H        ILE  10  -5.076  -4.305   3.296
   66    HA   ILE  10           HA       ILE  10  -2.502  -3.533   2.424
   67    HB   ILE  10           HB       ILE  10  -3.427  -5.815   4.249
   68   HG12  ILE  10          2HG1      ILE  10  -2.102  -4.063   5.859
   69   HG13  ILE  10          1HG1      ILE  10  -2.699  -2.890   4.637
   70   HG21  ILE  10          1HG2      ILE  10  -1.191  -6.408   3.334
   71   HG22  ILE  10          2HG2      ILE  10  -1.009  -5.840   5.022
   72   HG23  ILE  10          3HG2      ILE  10  -0.581  -4.739   3.661
   73   HD11  ILE  10          3HD1      ILE  10  -4.402  -4.867   6.312
   74   HD12  ILE  10          1HD1      ILE  10  -5.067  -3.716   5.095
   75   HD13  ILE  10          2HD1      ILE  10  -4.263  -3.091   6.579
   76    H    GLN  11           H        GLN  11  -4.664  -6.226   1.688
   77    HA   GLN  11           HA       GLN  11  -2.615  -7.704   0.327
   78    HB2  GLN  11           2HB      GLN  11  -4.342  -9.339  -0.211
   79    HB3  GLN  11           1HB      GLN  11  -4.395  -8.874   1.520
   80    HG2  GLN  11           2HG      GLN  11  -6.316  -7.280   0.987
   81    HG3  GLN  11           1HG      GLN  11  -6.311  -7.896  -0.705
   82   HE21  GLN  11          1HE2      GLN  11  -6.610  -8.937   2.750
   83   HE22  GLN  11          2HE2      GLN  11  -7.629 -10.327   2.437
   84    H    VAL  12           H        VAL  12  -4.298  -4.924  -0.590
   85    HA   VAL  12           HA       VAL  12  -4.257  -5.654  -3.437
   86    HB   VAL  12           HB       VAL  12  -5.940  -3.626  -1.906
   87   HG11  VAL  12          1HG1      VAL  12  -5.697  -4.094  -4.960
   88   HG12  VAL  12          2HG1      VAL  12  -5.289  -2.574  -4.072
   89   HG13  VAL  12          3HG1      VAL  12  -6.993  -3.132  -4.155
   90   HG21  VAL  12          3HG2      VAL  12  -6.571  -6.171  -3.563
   91   HG22  VAL  12          1HG2      VAL  12  -7.805  -5.062  -2.865
   92   HG23  VAL  12          2HG2      VAL  12  -6.726  -6.001  -1.777
   93    H    LYS  13           H        LYS  13  -2.958  -3.608  -0.884
   94    HA   LYS  13           HA       LYS  13  -2.001  -1.632  -2.711
   95    HB2  LYS  13           2HB      LYS  13  -1.110  -0.458  -0.859
   96    HB3  LYS  13           1HB      LYS  13  -2.708  -1.143  -0.334
   97    HG2  LYS  13           2HG      LYS  13  -1.520  -1.632   1.538
   98    HG3  LYS  13           1HG      LYS  13  -1.103  -3.101   0.587
   99    HD2  LYS  13           2HD      LYS  13   0.926  -1.799  -0.273
  100    HD3  LYS  13           1HD      LYS  13   0.550  -0.522   0.915
  101    HE2  LYS  13           2HE      LYS  13   1.193  -3.490   1.593
  102    HE3  LYS  13           1HE      LYS  13   2.330  -2.092   1.787
  103    HZ1  LYS  13           3HZ      LYS  13   0.797  -1.136   3.365
  104    HZ2  LYS  13           1HZ      LYS  13   1.269  -2.696   3.842
  105    HZ3  LYS  13           2HZ      LYS  13  -0.274  -2.441   3.180
  106    H    VAL  14           H        VAL  14  -0.809  -4.474  -1.559
  107    HA   VAL  14           HA       VAL  14   1.897  -4.030  -2.017
  108    HB   VAL  14           HB       VAL  14   0.898  -5.894  -0.796
  109   HG11  VAL  14          1HG1      VAL  14  -0.183  -7.835  -1.749
  110   HG12  VAL  14          2HG1      VAL  14  -0.035  -7.174  -3.409
  111   HG13  VAL  14          3HG1      VAL  14  -1.101  -6.358  -2.200
  112   HG21  VAL  14          3HG2      VAL  14   2.491  -6.903  -3.244
  113   HG22  VAL  14          1HG2      VAL  14   2.443  -7.710  -1.631
  114   HG23  VAL  14          2HG2      VAL  14   3.241  -6.094  -1.810
  115    H    PHE  15           H        PHE  15  -0.711  -4.811  -3.896
  116    HA   PHE  15           HA       PHE  15   0.700  -5.423  -6.397
  117    HB2  PHE  15           2HB      PHE  15  -2.332  -5.157  -5.888
  118    HB3  PHE  15           1HB      PHE  15  -1.613  -5.542  -7.496
  119    HD1  PHE  15           1HD      PHE  15   0.207  -7.509  -7.442
  120    HD2  PHE  15           2HD      PHE  15  -3.022  -7.017  -4.653
  121    HE1  PHE  15           1HE      PHE  15   0.313  -9.915  -6.895
  122    HE2  PHE  15           2HE      PHE  15  -2.923  -9.430  -4.114
  123    HZ   PHE  15           HZ       PHE  15  -1.250 -10.882  -5.228
  124    H    ASN  16           H        ASN  16  -0.787  -2.634  -4.865
  125    HA   ASN  16           HA       ASN  16  -0.908  -1.036  -7.210
  126    HB2  ASN  16           2HB      ASN  16  -2.257  -0.616  -5.068
  127    HB3  ASN  16           1HB      ASN  16  -0.728  -0.154  -4.251
  128   HD21  ASN  16          1HD2      ASN  16  -2.674   0.594  -7.237
  129   HD22  ASN  16          2HD2      ASN  16  -2.361   2.318  -7.229
  130    H    HIS  17           H        HIS  17   1.449  -1.530  -4.465
  131    HA   HIS  17           HA       HIS  17   3.320   0.111  -5.484
  132    HB2  HIS  17           2HB      HIS  17   3.538  -2.078  -3.368
  133    HB3  HIS  17           1HB      HIS  17   4.761  -0.781  -3.641
  134    HD1  HIS  17           1HD      HIS  17   3.695  -0.892  -0.885
  135    HD2  HIS  17           2HD      HIS  17   1.748   1.348  -3.853
  136    HE1  HIS  17           1HE      HIS  17   2.291   0.908   0.261
  137    H    GLY  18           H        GLY  18   5.736  -1.321  -5.233
  138    HA2  GLY  18           2HA      GLY  18   5.538  -3.623  -7.055
  139    HA3  GLY  18           1HA      GLY  18   6.774  -2.303  -7.212
  140    H    GLU  19           H        GLU  19   5.271  -3.950  -4.385
  141    HA   GLU  19           HA       GLU  19   7.959  -4.574  -3.373
  142    HB2  GLU  19           2HB      GLU  19   5.277  -4.255  -1.905
  143    HB3  GLU  19           1HB      GLU  19   6.821  -4.765  -1.132
  144    HG2  GLU  19           2HG      GLU  19   6.269  -2.040  -2.486
  145    HG3  GLU  19           1HG      GLU  19   6.339  -2.357  -0.715
  146    H    HIS  20           H        HIS  20   7.799  -6.275  -5.084
  147    HA   HIS  20           HA       HIS  20   6.404  -8.648  -4.042
  148    HB2  HIS  20           2HB      HIS  20   7.025  -7.921  -6.980
  149    HB3  HIS  20           1HB      HIS  20   6.330  -9.481  -6.395
  150    HD1  HIS  20           1HD      HIS  20   5.417  -5.799  -6.869
  151    HD2  HIS  20           2HD      HIS  20   3.586  -9.389  -5.697
  152    HE1  HIS  20           1HE      HIS  20   2.894  -5.408  -6.758
  153    H    ILE  21           H        ILE  21   8.601  -9.011  -6.735
  154    HA   ILE  21           HA       ILE  21  10.718  -9.880  -5.002
  155    HB   ILE  21           HB       ILE  21  11.811 -10.489  -7.169
  156   HG12  ILE  21          2HG1      ILE  21  10.137 -10.876  -9.089
  157   HG13  ILE  21          1HG1      ILE  21   9.116  -9.594  -8.367
  158   HG21  ILE  21          1HG2      ILE  21  10.410 -12.515  -7.395
  159   HG22  ILE  21          2HG2      ILE  21   9.053 -11.703  -6.530
  160   HG23  ILE  21          3HG2      ILE  21  10.600 -12.046  -5.666
  161   HD11  ILE  21          3HD1      ILE  21  12.065  -9.252  -9.273
  162   HD12  ILE  21          1HD1      ILE  21  10.959  -7.929  -8.745
  163   HD13  ILE  21          2HD1      ILE  21  10.625  -8.821 -10.266
  164    H    HIS  22           H        HIS  22  12.953  -9.098  -5.597
  165    HA   HIS  22           HA       HIS  22  12.993  -6.338  -6.552
  166    HB2  HIS  22           2HB      HIS  22  14.170  -7.277  -3.863
  167    HB3  HIS  22           1HB      HIS  22  14.440  -5.654  -4.602
  168    HD1  HIS  22           1HD      HIS  22  12.058  -4.238  -4.990
  169    HD2  HIS  22           2HD      HIS  22  11.889  -7.437  -2.281
  170    HE1  HIS  22           1HE      HIS  22   9.941  -3.978  -3.584
  171    H    HIS  23           H        HIS  23  13.625  -8.960  -7.651
  172    HA   HIS  23           HA       HIS  23  15.109  -9.955  -8.833
  173    HB2  HIS  23           2HB      HIS  23  16.638  -7.305  -8.834
  174    HB3  HIS  23           1HB      HIS  23  16.952  -8.699  -9.923
  175    HD1  HIS  23           1HD      HIS  23  14.055  -6.247  -9.173
  176    HD2  HIS  23           2HD      HIS  23  15.459  -8.767 -12.220
  177    HE1  HIS  23           1HE      HIS  23  12.609  -5.870 -11.247
  Start of MODEL   12
    1    H1   PHE   1           1HT      PHE   1 -14.095  -2.776  -7.584
    2    H2   PHE   1           2HT      PHE   1 -12.544  -3.343  -7.178
    3    H3   PHE   1           3HT      PHE   1 -13.120  -1.889  -6.512
    4    HA   PHE   1           HA       PHE   1 -14.247  -4.570  -6.052
    5    HB2  PHE   1           2HB      PHE   1 -12.584  -2.736  -4.183
    6    HB3  PHE   1           1HB      PHE   1 -13.402  -4.245  -3.638
    7    HD1  PHE   1           2HD      PHE   1 -12.872  -6.418  -5.015
    8    HD2  PHE   1           1HD      PHE   1 -10.346  -2.940  -4.890
    9    HE1  PHE   1           2HE      PHE   1 -10.925  -7.807  -5.646
   10    HE2  PHE   1           1HE      PHE   1  -8.404  -4.332  -5.529
   11    HZ   PHE   1           HZ       PHE   1  -8.687  -6.767  -5.901
   12    H    GLU   2           H        GLU   2 -15.554  -4.445  -3.841
   13    HA   GLU   2           HA       GLU   2 -17.615  -2.450  -4.275
   14    HB2  GLU   2           2HB      GLU   2 -17.507  -4.944  -2.466
   15    HB3  GLU   2           1HB      GLU   2 -18.870  -3.773  -2.533
   16    HG2  GLU   2           2HG      GLU   2 -19.523  -5.635  -3.868
   17    HG3  GLU   2           1HG      GLU   2 -19.154  -4.281  -4.998
   18    H    ASP   3           H        ASP   3 -16.504  -3.912  -1.177
   19    HA   ASP   3           HA       ASP   3 -15.172  -1.609  -0.316
   20    HB2  ASP   3           2HB      ASP   3 -16.554  -1.165   1.738
   21    HB3  ASP   3           1HB      ASP   3 -17.301  -0.576   0.215
   22    H    LEU   4           H        LEU   4 -13.513  -2.723   0.286
   23    HA   LEU   4           HA       LEU   4 -13.841  -5.310   1.600
   24    HB2  LEU   4           2HB      LEU   4 -11.294  -3.843   0.639
   25    HB3  LEU   4           1HB      LEU   4 -11.356  -5.534   1.235
   26    HG   LEU   4           HG       LEU   4 -12.641  -4.445  -1.338
   27   HD11  LEU   4          1HD1      LEU   4 -10.161  -4.597  -1.434
   28   HD12  LEU   4          2HD1      LEU   4 -10.926  -5.840  -2.494
   29   HD13  LEU   4          3HD1      LEU   4 -10.232  -6.321  -0.905
   30   HD21  LEU   4          3HD2      LEU   4 -13.133  -6.836  -1.906
   31   HD22  LEU   4          1HD2      LEU   4 -14.058  -6.288  -0.465
   32   HD23  LEU   4          2HD2      LEU   4 -12.603  -7.337  -0.256
   33    HA   PRO   5           HA       PRO   5 -12.756  -3.546   5.477
   34    HB2  PRO   5           2HB      PRO   5 -11.023  -5.994   5.997
   35    HB3  PRO   5           1HB      PRO   5 -12.436  -5.381   6.953
   36    HG2  PRO   5           2HG      PRO   5 -12.767  -7.582   5.382
   37    HG3  PRO   5           1HG      PRO   5 -14.003  -6.246   5.228
   38    HD2  PRO   5           2HD      PRO   5 -11.512  -6.566   3.501
   39    HD3  PRO   5           1HD      PRO   5 -13.268  -6.565   2.993
   40    H    ASN   6           H        ASN   6 -10.757  -3.467   7.048
   41    HA   ASN   6           HA       ASN   6  -8.873  -1.764   5.841
   42    HB2  ASN   6           2HB      ASN   6  -8.755  -3.129   8.609
   43    HB3  ASN   6           1HB      ASN   6  -7.733  -1.737   8.088
   44   HD21  ASN   6          1HD2      ASN   6 -10.559  -2.549   9.749
   45   HD22  ASN   6          2HD2      ASN   6 -11.410  -1.022   9.636
   46    H    PHE   7           H        PHE   7  -8.748  -5.173   6.897
   47    HA   PHE   7           HA       PHE   7  -5.959  -5.465   6.261
   48    HB2  PHE   7           2HB      PHE   7  -8.109  -7.553   7.023
   49    HB3  PHE   7           1HB      PHE   7  -6.328  -7.863   6.925
   50    HD1  PHE   7           1HD      PHE   7  -4.791  -6.382   8.387
   51    HD2  PHE   7           2HD      PHE   7  -9.026  -6.729   9.042
   52    HE1  PHE   7           1HE      PHE   7  -4.501  -5.566  10.704
   53    HE2  PHE   7           2HE      PHE   7  -8.733  -5.913  11.359
   54    HZ   PHE   7           HZ       PHE   7  -6.471  -5.328  12.193
   55    H    GLY   8           H        GLY   8  -8.972  -5.558   4.551
   56    HA2  GLY   8           2HA      GLY   8  -8.011  -7.385   2.507
   57    HA3  GLY   8           1HA      GLY   8  -9.598  -6.549   2.647
   58    H    HIS   9           H        HIS   9  -7.498  -4.121   3.299
   59    HA   HIS   9           HA       HIS   9  -7.364  -3.243   0.513
   60    HB2  HIS   9           2HB      HIS   9  -6.749  -1.743   3.128
   61    HB3  HIS   9           1HB      HIS   9  -6.664  -1.044   1.472
   62    HD1  HIS   9           1HD      HIS   9  -9.392  -2.127   0.334
   63    HD2  HIS   9           2HD      HIS   9  -8.912  -0.292   4.077
   64    HE1  HIS   9           1HE      HIS   9 -11.639  -1.125   1.024
   65    H    ILE  10           H        ILE  10  -5.513  -4.877   2.885
   66    HA   ILE  10           HA       ILE  10  -2.966  -3.794   2.235
   67    HB   ILE  10           HB       ILE  10  -3.780  -6.383   3.662
   68   HG12  ILE  10          2HG1      ILE  10  -4.695  -4.453   4.835
   69   HG13  ILE  10          1HG1      ILE  10  -3.376  -5.230   5.768
   70   HG21  ILE  10          1HG2      ILE  10  -1.473  -6.595   2.860
   71   HG22  ILE  10          2HG2      ILE  10  -1.437  -6.286   4.630
   72   HG23  ILE  10          3HG2      ILE  10  -1.045  -4.952   3.479
   73   HD11  ILE  10          3HD1      ILE  10  -1.812  -3.374   5.101
   74   HD12  ILE  10          1HD1      ILE  10  -3.284  -2.767   5.947
   75   HD13  ILE  10          2HD1      ILE  10  -3.145  -2.595   4.161
   76    H    GLN  11           H        GLN  11  -4.993  -6.504   1.225
   77    HA   GLN  11           HA       GLN  11  -2.883  -7.658  -0.341
   78    HB2  GLN  11           2HB      GLN  11  -4.450  -9.402  -0.985
   79    HB3  GLN  11           1HB      GLN  11  -4.419  -9.128   0.774
   80    HG2  GLN  11           2HG      GLN  11  -6.688  -9.450   0.383
   81    HG3  GLN  11           1HG      GLN  11  -6.548  -7.663   0.500
   82   HE21  GLN  11          1HE2      GLN  11  -6.104 -10.205  -2.096
   83   HE22  GLN  11          2HE2      GLN  11  -7.124  -9.421  -3.286
   84    H    VAL  12           H        VAL  12  -4.699  -4.905  -0.817
   85    HA   VAL  12           HA       VAL  12  -4.771  -5.218  -3.724
   86    HB   VAL  12           HB       VAL  12  -5.742  -2.865  -2.024
   87   HG11  VAL  12          1HG1      VAL  12  -6.907  -2.262  -4.216
   88   HG12  VAL  12          2HG1      VAL  12  -6.008  -3.602  -5.026
   89   HG13  VAL  12          3HG1      VAL  12  -5.116  -2.193  -4.349
   90   HG21  VAL  12          3HG2      VAL  12  -7.107  -4.873  -1.541
   91   HG22  VAL  12          1HG2      VAL  12  -7.288  -5.214  -3.303
   92   HG23  VAL  12          2HG2      VAL  12  -8.036  -3.742  -2.579
   93    H    LYS  13           H        LYS  13  -3.307  -3.483  -1.007
   94    HA   LYS  13           HA       LYS  13  -2.017  -1.580  -2.674
   95    HB2  LYS  13           2HB      LYS  13  -1.244  -0.529  -0.728
   96    HB3  LYS  13           1HB      LYS  13  -2.885  -1.203  -0.314
   97    HG2  LYS  13           2HG      LYS  13  -1.813  -1.802   1.595
   98    HG3  LYS  13           1HG      LYS  13  -1.332  -3.220   0.603
   99    HD2  LYS  13           2HD      LYS  13   0.742  -1.884  -0.071
  100    HD3  LYS  13           1HD      LYS  13   0.290  -0.657   1.141
  101    HE2  LYS  13           2HE      LYS  13   0.889  -3.651   1.740
  102    HE3  LYS  13           1HE      LYS  13   2.016  -2.268   2.053
  103    HZ1  LYS  13           3HZ      LYS  13   0.399  -1.361   3.575
  104    HZ2  LYS  13           1HZ      LYS  13   0.837  -2.942   4.018
  105    HZ3  LYS  13           2HZ      LYS  13  -0.665  -2.652   3.279
  106    H    VAL  14           H        VAL  14  -1.179  -4.562  -1.656
  107    HA   VAL  14           HA       VAL  14   1.581  -4.354  -1.701
  108    HB   VAL  14           HB       VAL  14   0.246  -6.213  -0.826
  109   HG11  VAL  14          1HG1      VAL  14  -1.524  -6.353  -2.577
  110   HG12  VAL  14          2HG1      VAL  14  -0.827  -7.948  -2.125
  111   HG13  VAL  14          3HG1      VAL  14  -0.346  -7.175  -3.670
  112   HG21  VAL  14          3HG2      VAL  14   1.750  -8.088  -1.588
  113   HG22  VAL  14          1HG2      VAL  14   2.699  -6.546  -1.495
  114   HG23  VAL  14          2HG2      VAL  14   2.114  -7.160  -3.095
  115    H    PHE  15           H        PHE  15  -0.774  -4.707  -3.992
  116    HA   PHE  15           HA       PHE  15   0.873  -5.282  -6.328
  117    HB2  PHE  15           2HB      PHE  15  -2.123  -4.525  -6.204
  118    HB3  PHE  15           1HB      PHE  15  -1.247  -4.981  -7.714
  119    HD1  PHE  15           1HD      PHE  15   0.303  -7.229  -7.338
  120    HD2  PHE  15           2HD      PHE  15  -3.374  -6.281  -5.319
  121    HE1  PHE  15           1HE      PHE  15  -0.098  -9.632  -6.940
  122    HE2  PHE  15           2HE      PHE  15  -3.790  -8.699  -4.962
  123    HZ   PHE  15           HZ       PHE  15  -2.146 -10.373  -5.753
  124    H    ASN  16           H        ASN  16  -0.521  -2.404  -4.817
  125    HA   ASN  16           HA       ASN  16  -0.008  -0.671  -7.006
  126    HB2  ASN  16           2HB      ASN  16  -1.720  -0.239  -5.171
  127    HB3  ASN  16           1HB      ASN  16  -0.374  -0.021  -4.006
  128   HD21  ASN  16          1HD2      ASN  16   0.331   2.075  -3.753
  129   HD22  ASN  16          2HD2      ASN  16   0.078   3.392  -4.882
  130    H    HIS  17           H        HIS  17   1.738  -1.671  -3.963
  131    HA   HIS  17           HA       HIS  17   3.796   0.001  -4.207
  132    HB2  HIS  17           2HB      HIS  17   3.063  -0.903  -2.071
  133    HB3  HIS  17           1HB      HIS  17   3.251  -2.578  -2.684
  134    HD1  HIS  17           1HD      HIS  17   5.600   0.396  -1.811
  135    HD2  HIS  17           2HD      HIS  17   5.519  -3.776  -2.119
  136    HE1  HIS  17           1HE      HIS  17   7.843  -0.488  -0.955
  137    H    GLY  18           H        GLY  18   6.136  -0.743  -4.497
  138    HA2  GLY  18           2HA      GLY  18   6.540  -3.186  -5.984
  139    HA3  GLY  18           1HA      GLY  18   6.882  -1.602  -6.815
  140    H    GLU  19           H        GLU  19   8.426  -0.154  -5.876
  141    HA   GLU  19           HA       GLU  19  10.270   0.397  -5.158
  142    HB2  GLU  19           2HB      GLU  19   8.722   0.155  -3.025
  143    HB3  GLU  19           1HB      GLU  19  10.010  -0.950  -2.468
  144    HG2  GLU  19           2HG      GLU  19  10.344   1.930  -3.539
  145    HG3  GLU  19           1HG      GLU  19  10.260   1.515  -1.779
  146    H    HIS  20           H        HIS  20  11.883  -0.360  -6.376
  147    HA   HIS  20           HA       HIS  20  13.010  -2.988  -5.777
  148    HB2  HIS  20           2HB      HIS  20  13.510  -1.038  -8.101
  149    HB3  HIS  20           1HB      HIS  20  14.269  -2.666  -7.911
  150    HD1  HIS  20           1HD      HIS  20  12.208  -4.656  -7.635
  151    HD2  HIS  20           2HD      HIS  20  11.237  -1.078  -9.599
  152    HE1  HIS  20           1HE      HIS  20  10.091  -5.053  -9.010
  153    H    ILE  21           H        ILE  21  15.127  -0.577  -7.174
  154    HA   ILE  21           HA       ILE  21  16.699  -0.513  -4.768
  155    HB   ILE  21           HB       ILE  21  18.262   0.802  -6.261
  156   HG12  ILE  21          2HG1      ILE  21  16.329  -0.096  -8.496
  157   HG13  ILE  21          1HG1      ILE  21  16.498   1.591  -7.898
  158   HG21  ILE  21          1HG2      ILE  21  17.452  -2.041  -7.145
  159   HG22  ILE  21          2HG2      ILE  21  18.464  -1.620  -5.711
  160   HG23  ILE  21          3HG2      ILE  21  19.064  -1.261  -7.367
  161   HD11  ILE  21          3HD1      ILE  21  17.799   1.303  -9.966
  162   HD12  ILE  21          1HD1      ILE  21  18.715  -0.075  -9.256
  163   HD13  ILE  21          2HD1      ILE  21  18.920   1.588  -8.584
  164    H    HIS  22           H        HIS  22  17.487   1.503  -3.911
  165    HA   HIS  22           HA       HIS  22  15.519   3.651  -4.015
  166    HB2  HIS  22           2HB      HIS  22  16.214   2.792  -1.773
  167    HB3  HIS  22           1HB      HIS  22  17.923   3.170  -2.144
  168    HD1  HIS  22           1HD      HIS  22  18.399   5.903  -2.414
  169    HD2  HIS  22           2HD      HIS  22  14.704   4.847  -0.728
  170    HE1  HIS  22           1HE      HIS  22  17.438   7.965  -1.249
  171    H    HIS  23           H        HIS  23  19.020   3.077  -4.045
  172    HA   HIS  23           HA       HIS  23  19.475   5.507  -5.609
  173    HB2  HIS  23           2HB      HIS  23  20.874   5.101  -3.565
  174    HB3  HIS  23           1HB      HIS  23  21.488   3.584  -4.295
  175    HD1  HIS  23           1HD      HIS  23  22.928   4.055  -6.666
  176    HD2  HIS  23           2HD      HIS  23  22.251   7.384  -4.203
  177    HE1  HIS  23           1HE      HIS  23  24.566   5.896  -7.348
  Start of MODEL   13
    1    H1   PHE   1           1HT      PHE   1 -16.783   3.085   5.213
    2    H2   PHE   1           2HT      PHE   1 -18.063   3.284   6.313
    3    H3   PHE   1           3HT      PHE   1 -17.316   4.646   5.625
    4    HA   PHE   1           HA       PHE   1 -19.450   4.207   4.621
    5    HB2  PHE   1           2HB      PHE   1 -17.015   3.602   2.801
    6    HB3  PHE   1           1HB      PHE   1 -18.683   3.970   2.183
    7    HD1  PHE   1           2HD      PHE   1 -19.751   6.194   2.787
    8    HD2  PHE   1           1HD      PHE   1 -15.567   5.415   3.390
    9    HE1  PHE   1           2HE      PHE   1 -19.313   8.626   2.902
   10    HE2  PHE   1           1HE      PHE   1 -15.131   7.846   3.502
   11    HZ   PHE   1           HZ       PHE   1 -17.002   9.457   3.259
   12    H    GLU   2           H        GLU   2 -20.845   2.555   4.869
   13    HA   GLU   2           HA       GLU   2 -21.743   0.647   5.041
   14    HB2  GLU   2           2HB      GLU   2 -20.924   0.807   2.457
   15    HB3  GLU   2           1HB      GLU   2 -20.140  -0.740   2.917
   16    HG2  GLU   2           2HG      GLU   2 -22.438  -1.548   3.745
   17    HG3  GLU   2           1HG      GLU   2 -23.107   0.064   3.276
   18    H    ASP   3           H        ASP   3 -18.878   1.074   6.090
   19    HA   ASP   3           HA       ASP   3 -17.399   0.242   7.381
   20    HB2  ASP   3           2HB      ASP   3 -18.765  -2.491   7.441
   21    HB3  ASP   3           1HB      ASP   3 -17.339  -1.957   8.417
   22    H    LEU   4           H        LEU   4 -15.747   0.499   6.098
   23    HA   LEU   4           HA       LEU   4 -15.214  -1.283   3.911
   24    HB2  LEU   4           2HB      LEU   4 -13.545   0.995   5.158
   25    HB3  LEU   4           1HB      LEU   4 -13.092   0.127   3.653
   26    HG   LEU   4           HG       LEU   4 -15.626   1.823   4.023
   27   HD11  LEU   4          1HD1      LEU   4 -12.991   2.474   2.560
   28   HD12  LEU   4          2HD1      LEU   4 -13.577   3.216   4.096
   29   HD13  LEU   4          3HD1      LEU   4 -14.484   3.488   2.561
   30   HD21  LEU   4          3HD2      LEU   4 -14.439   0.513   1.488
   31   HD22  LEU   4          1HD2      LEU   4 -15.828   1.663   1.528
   32   HD23  LEU   4          2HD2      LEU   4 -15.978   0.050   2.309
   33    HA   PRO   5           HA       PRO   5 -12.811  -4.041   6.228
   34    HB2  PRO   5           2HB      PRO   5 -10.852  -4.270   3.909
   35    HB3  PRO   5           1HB      PRO   5 -11.879  -5.565   4.652
   36    HG2  PRO   5           2HG      PRO   5 -12.548  -4.539   2.217
   37    HG3  PRO   5           1HG      PRO   5 -13.862  -4.699   3.471
   38    HD2  PRO   5           2HD      PRO   5 -12.145  -2.215   2.958
   39    HD3  PRO   5           1HD      PRO   5 -13.962  -2.373   2.844
   40    H    ASN   6           H        ASN   6 -10.427  -4.803   6.596
   41    HA   ASN   6           HA       ASN   6  -8.781  -2.440   7.277
   42    HB2  ASN   6           2HB      ASN   6  -8.889  -5.227   8.622
   43    HB3  ASN   6           1HB      ASN   6  -7.717  -3.919   9.035
   44   HD21  ASN   6          1HD2      ASN   6 -10.728  -5.271   9.849
   45   HD22  ASN   6          2HD2      ASN   6 -11.409  -3.921  10.734
   46    H    PHE   7           H        PHE   7  -8.417  -5.993   6.754
   47    HA   PHE   7           HA       PHE   7  -5.861  -5.556   5.502
   48    HB2  PHE   7           2HB      PHE   7  -7.403  -8.138   6.199
   49    HB3  PHE   7           1HB      PHE   7  -5.714  -8.083   5.552
   50    HD1  PHE   7           1HD      PHE   7  -3.947  -6.820   6.856
   51    HD2  PHE   7           2HD      PHE   7  -7.779  -7.805   8.537
   52    HE1  PHE   7           1HE      PHE   7  -3.043  -6.458   9.130
   53    HE2  PHE   7           2HE      PHE   7  -6.871  -7.446  10.811
   54    HZ   PHE   7           HZ       PHE   7  -4.503  -6.768  11.111
   55    H    GLY   8           H        GLY   8  -8.977  -5.376   4.358
   56    HA2  GLY   8           2HA      GLY   8  -8.618  -6.874   1.923
   57    HA3  GLY   8           1HA      GLY   8  -9.979  -5.812   2.427
   58    H    HIS   9           H        HIS   9  -7.606  -3.825   3.153
   59    HA   HIS   9           HA       HIS   9  -7.419  -2.601   0.507
   60    HB2  HIS   9           2HB      HIS   9  -6.582  -1.575   3.289
   61    HB3  HIS   9           1HB      HIS   9  -6.475  -0.642   1.753
   62    HD1  HIS   9           1HD      HIS   9  -9.210  -0.861   0.522
   63    HD2  HIS   9           2HD      HIS   9  -8.681  -0.533   4.670
   64    HE1  HIS   9           1HE      HIS   9 -11.361   0.090   1.526
   65    H    ILE  10           H        ILE  10  -5.633  -4.255   3.042
   66    HA   ILE  10           HA       ILE  10  -3.063  -3.368   2.301
   67    HB   ILE  10           HB       ILE  10  -4.007  -5.514   4.197
   68   HG12  ILE  10          2HG1      ILE  10  -3.162  -2.551   4.307
   69   HG13  ILE  10          1HG1      ILE  10  -4.717  -3.285   4.825
   70   HG21  ILE  10          1HG2      ILE  10  -1.637  -5.478   5.059
   71   HG22  ILE  10          2HG2      ILE  10  -1.159  -4.422   3.674
   72   HG23  ILE  10          3HG2      ILE  10  -1.729  -6.113   3.398
   73   HD11  ILE  10          3HD1      ILE  10  -3.438  -4.486   6.680
   74   HD12  ILE  10          1HD1      ILE  10  -3.416  -2.680   6.795
   75   HD13  ILE  10          2HD1      ILE  10  -1.970  -3.553   6.166
   76    H    GLN  11           H        GLN  11  -5.073  -6.168   1.527
   77    HA   GLN  11           HA       GLN  11  -2.977  -7.692   0.369
   78    HB2  GLN  11           2HB      GLN  11  -4.729  -9.209  -0.434
   79    HB3  GLN  11           1HB      GLN  11  -4.977  -8.765   1.286
   80    HG2  GLN  11           2HG      GLN  11  -6.710  -7.051   0.564
   81    HG3  GLN  11           1HG      GLN  11  -6.515  -7.601  -1.138
   82   HE21  GLN  11          1HE2      GLN  11  -7.846  -9.252  -1.788
   83   HE22  GLN  11          2HE2      GLN  11  -8.695 -10.364  -0.733
   84    H    VAL  12           H        VAL  12  -4.661  -4.906  -0.745
   85    HA   VAL  12           HA       VAL  12  -4.422  -5.614  -3.560
   86    HB   VAL  12           HB       VAL  12  -5.718  -3.207  -2.180
   87   HG11  VAL  12          1HG1      VAL  12  -5.038  -2.633  -4.509
   88   HG12  VAL  12          2HG1      VAL  12  -6.814  -2.885  -4.446
   89   HG13  VAL  12          3HG1      VAL  12  -5.753  -4.174  -5.125
   90   HG21  VAL  12          3HG2      VAL  12  -6.902  -5.320  -1.613
   91   HG22  VAL  12          1HG2      VAL  12  -6.922  -5.805  -3.350
   92   HG23  VAL  12          2HG2      VAL  12  -7.868  -4.374  -2.794
   93    H    LYS  13           H        LYS  13  -3.081  -3.570  -1.016
   94    HA   LYS  13           HA       LYS  13  -2.028  -1.659  -2.827
   95    HB2  LYS  13           2HB      LYS  13  -1.324  -0.422  -0.942
   96    HB3  LYS  13           1HB      LYS  13  -2.956  -1.142  -0.577
   97    HG2  LYS  13           2HG      LYS  13  -1.964  -1.524   1.426
   98    HG3  LYS  13           1HG      LYS  13  -1.437  -3.026   0.587
   99    HD2  LYS  13           2HD      LYS  13   0.670  -1.806  -0.086
  100    HD3  LYS  13           1HD      LYS  13   0.154  -0.406   0.892
  101    HE2  LYS  13           2HE      LYS  13   0.725  -3.266   1.978
  102    HE3  LYS  13           1HE      LYS  13   1.803  -1.822   2.160
  103    HZ1  LYS  13           3HZ      LYS  13  -0.949  -2.099   3.245
  104    HZ2  LYS  13           1HZ      LYS  13   0.067  -0.748   3.416
  105    HZ3  LYS  13           2HZ      LYS  13   0.503  -2.232   4.117
  106    H    VAL  14           H        VAL  14  -0.796  -4.438  -1.546
  107    HA   VAL  14           HA       VAL  14   1.925  -3.847  -1.799
  108    HB   VAL  14           HB       VAL  14   2.153  -6.370  -1.897
  109   HG11  VAL  14          1HG1      VAL  14   1.979  -4.974   0.221
  110   HG12  VAL  14          2HG1      VAL  14   1.252  -6.621   0.459
  111   HG13  VAL  14          3HG1      VAL  14   0.188  -5.192   0.147
  112   HG21  VAL  14          3HG2      VAL  14  -0.936  -6.379  -1.828
  113   HG22  VAL  14          1HG2      VAL  14   0.121  -7.782  -1.462
  114   HG23  VAL  14          2HG2      VAL  14   0.131  -7.077  -3.106
  115    H    PHE  15           H        PHE  15  -0.498  -4.789  -3.771
  116    HA   PHE  15           HA       PHE  15   1.123  -5.435  -6.158
  117    HB2  PHE  15           2HB      PHE  15  -1.953  -5.289  -5.962
  118    HB3  PHE  15           1HB      PHE  15  -1.023  -5.814  -7.415
  119    HD1  PHE  15           1HD      PHE  15   0.938  -7.643  -6.742
  120    HD2  PHE  15           2HD      PHE  15  -2.828  -7.059  -4.753
  121    HE1  PHE  15           1HE      PHE  15   1.016  -9.967  -5.913
  122    HE2  PHE  15           2HE      PHE  15  -2.758  -9.401  -3.944
  123    HZ   PHE  15           HZ       PHE  15  -0.831 -10.853  -4.513
  124    H    ASN  16           H        ASN  16  -0.487  -2.675  -4.764
  125    HA   ASN  16           HA       ASN  16  -0.684  -1.192  -7.183
  126    HB2  ASN  16           2HB      ASN  16  -2.130  -0.803  -5.105
  127    HB3  ASN  16           1HB      ASN  16  -0.675  -0.156  -4.278
  128   HD21  ASN  16          1HD2      ASN  16  -2.555   0.244  -7.374
  129   HD22  ASN  16          2HD2      ASN  16  -2.422   1.990  -7.440
  130    H    HIS  17           H        HIS  17   1.782  -1.693  -4.585
  131    HA   HIS  17           HA       HIS  17   3.418   0.297  -5.082
  132    HB2  HIS  17           2HB      HIS  17   4.105  -2.567  -4.273
  133    HB3  HIS  17           1HB      HIS  17   5.260  -1.193  -4.154
  134    HD1  HIS  17           1HD      HIS  17   4.348  -2.768  -1.618
  135    HD2  HIS  17           2HD      HIS  17   2.664   0.862  -2.885
  136    HE1  HIS  17           1HE      HIS  17   3.343  -1.598   0.418
  137    H    GLY  18           H        GLY  18   5.335   0.620  -6.362
  138    HA2  GLY  18           2HA      GLY  18   5.325  -0.926  -8.857
  139    HA3  GLY  18           1HA      GLY  18   5.833   0.783  -8.576
  140    H    GLU  19           H        GLU  19   7.964   1.069  -8.646
  141    HA   GLU  19           HA       GLU  19   9.722  -1.209  -8.069
  142    HB2  GLU  19           2HB      GLU  19  10.222   1.369  -9.658
  143    HB3  GLU  19           1HB      GLU  19  11.434   0.064  -9.364
  144    HG2  GLU  19           2HG      GLU  19   9.965  -1.568 -10.590
  145    HG3  GLU  19           1HG      GLU  19   8.786  -0.248 -10.937
  146    H    HIS  20           H        HIS  20   9.055  -0.570  -5.743
  147    HA   HIS  20           HA       HIS  20  11.329   0.876  -4.729
  148    HB2  HIS  20           2HB      HIS  20   9.976   2.175  -3.045
  149    HB3  HIS  20           1HB      HIS  20   9.709   2.717  -4.729
  150    HD1  HIS  20           1HD      HIS  20   7.878   0.634  -2.057
  151    HD2  HIS  20           2HD      HIS  20   7.113   2.711  -5.622
  152    HE1  HIS  20           1HE      HIS  20   5.347   0.752  -2.381
  153    H    ILE  21           H        ILE  21  11.313   0.497  -2.194
  154    HA   ILE  21           HA       ILE  21  11.015  -2.327  -1.916
  155    HB   ILE  21           HB       ILE  21  12.065  -1.861   0.338
  156   HG12  ILE  21          2HG1      ILE  21  12.464   0.973  -0.812
  157   HG13  ILE  21          1HG1      ILE  21  11.309   0.555   0.499
  158   HG21  ILE  21          1HG2      ILE  21  13.556  -0.945  -2.205
  159   HG22  ILE  21          2HG2      ILE  21  13.253  -2.655  -1.711
  160   HG23  ILE  21          3HG2      ILE  21  14.300  -1.601  -0.699
  161   HD11  ILE  21          3HD1      ILE  21  13.377   1.463   1.474
  162   HD12  ILE  21          1HD1      ILE  21  14.377   0.230   0.625
  163   HD13  ILE  21          2HD1      ILE  21  13.220  -0.280   1.913
  164    H    HIS  22           H        HIS  22   9.914  -3.373  -0.212
  165    HA   HIS  22           HA       HIS  22   8.149  -1.867   1.465
  166    HB2  HIS  22           2HB      HIS  22   6.709  -2.131  -0.594
  167    HB3  HIS  22           1HB      HIS  22   7.006  -3.897  -0.568
  168    HD1  HIS  22           1HD      HIS  22   5.782  -1.364   2.117
  169    HD2  HIS  22           2HD      HIS  22   4.778  -5.109   0.513
  170    HE1  HIS  22           1HE      HIS  22   3.720  -2.233   3.352
  171    H    HIS  23           H        HIS  23  10.230  -2.905   2.440
  172    HA   HIS  23           HA       HIS  23   9.849  -5.741   3.038
  173    HB2  HIS  23           2HB      HIS  23  12.161  -3.816   3.666
  174    HB3  HIS  23           1HB      HIS  23  12.077  -5.539   4.178
  175    HD1  HIS  23           1HD      HIS  23  12.102  -3.549   0.859
  176    HD2  HIS  23           2HD      HIS  23  13.106  -7.328   2.377
  177    HE1  HIS  23           1HE      HIS  23  13.244  -4.873  -1.002
  Start of MODEL   14
    1    H1   PHE   1           1HT      PHE   1 -22.454   0.603   2.581
    2    H2   PHE   1           2HT      PHE   1 -22.811   1.002   4.194
    3    H3   PHE   1           3HT      PHE   1 -23.754  -0.149   3.376
    4    HA   PHE   1           HA       PHE   1 -21.930  -1.638   3.232
    5    HB2  PHE   1           2HB      PHE   1 -20.398   0.570   4.779
    6    HB3  PHE   1           1HB      PHE   1 -19.784  -1.112   4.596
    7    HD1  PHE   1           2HD      PHE   1 -19.406  -2.057   2.283
    8    HD2  PHE   1           1HD      PHE   1 -20.025   2.134   3.008
    9    HE1  PHE   1           2HE      PHE   1 -18.345  -1.525   0.113
   10    HE2  PHE   1           1HE      PHE   1 -18.964   2.665   0.836
   11    HZ   PHE   1           HZ       PHE   1 -18.119   0.838  -0.612
   12    H    GLU   2           H        GLU   2 -21.132  -3.033   5.051
   13    HA   GLU   2           HA       GLU   2 -22.904  -2.804   7.381
   14    HB2  GLU   2           2HB      GLU   2 -21.331  -5.206   6.258
   15    HB3  GLU   2           1HB      GLU   2 -22.370  -5.233   7.725
   16    HG2  GLU   2           2HG      GLU   2 -23.296  -4.718   4.817
   17    HG3  GLU   2           1HG      GLU   2 -23.508  -6.241   5.751
   18    H    ASP   3           H        ASP   3 -19.544  -3.698   6.320
   19    HA   ASP   3           HA       ASP   3 -18.324  -2.243   8.318
   20    HB2  ASP   3           2HB      ASP   3 -17.123  -4.124   9.507
   21    HB3  ASP   3           1HB      ASP   3 -18.835  -3.891   9.989
   22    H    LEU   4           H        LEU   4 -16.867  -1.471   7.037
   23    HA   LEU   4           HA       LEU   4 -15.959  -2.838   4.735
   24    HB2  LEU   4           2HB      LEU   4 -14.823  -0.261   6.011
   25    HB3  LEU   4           1HB      LEU   4 -14.419  -0.900   4.388
   26    HG   LEU   4           HG       LEU   4 -17.020  -0.716   3.936
   27   HD11  LEU   4          1HD1      LEU   4 -16.647   1.376   6.188
   28   HD12  LEU   4          2HD1      LEU   4 -17.786  -0.023   6.205
   29   HD13  LEU   4          3HD1      LEU   4 -18.033   1.322   5.039
   30   HD21  LEU   4          3HD2      LEU   4 -15.161   1.741   4.008
   31   HD22  LEU   4          1HD2      LEU   4 -16.655   1.565   3.013
   32   HD23  LEU   4          2HD2      LEU   4 -15.239   0.492   2.708
   33    HA   PRO   5           HA       PRO   5 -12.615  -4.903   6.575
   34    HB2  PRO   5           2HB      PRO   5 -10.969  -4.447   4.049
   35    HB3  PRO   5           1HB      PRO   5 -11.483  -6.013   4.799
   36    HG2  PRO   5           2HG      PRO   5 -12.727  -5.133   2.540
   37    HG3  PRO   5           1HG      PRO   5 -13.767  -5.717   3.919
   38    HD2  PRO   5           2HD      PRO   5 -12.914  -2.822   3.407
   39    HD3  PRO   5           1HD      PRO   5 -14.607  -3.505   3.482
   40    H    ASN   6           H        ASN   6 -10.090  -4.950   6.640
   41    HA   ASN   6           HA       ASN   6  -8.969  -2.265   6.965
   42    HB2  ASN   6           2HB      ASN   6  -9.584  -3.242   9.259
   43    HB3  ASN   6           1HB      ASN   6  -8.548  -4.661   8.904
   44   HD21  ASN   6          1HD2      ASN   6  -8.333  -1.056   8.604
   45   HD22  ASN   6          2HD2      ASN   6  -6.774  -0.874   9.389
   46    H    PHE   7           H        PHE   7  -8.286  -5.806   7.049
   47    HA   PHE   7           HA       PHE   7  -5.725  -5.425   5.810
   48    HB2  PHE   7           2HB      PHE   7  -7.209  -7.977   6.716
   49    HB3  PHE   7           1HB      PHE   7  -5.494  -7.918   6.146
   50    HD1  PHE   7           1HD      PHE   7  -3.861  -6.390   7.385
   51    HD2  PHE   7           2HD      PHE   7  -7.690  -7.500   8.995
   52    HE1  PHE   7           1HE      PHE   7  -3.086  -5.779   9.654
   53    HE2  PHE   7           2HE      PHE   7  -6.909  -6.895  11.264
   54    HZ   PHE   7           HZ       PHE   7  -4.607  -6.032  11.597
   55    H    GLY   8           H        GLY   8  -8.840  -5.561   4.576
   56    HA2  GLY   8           2HA      GLY   8  -8.338  -7.284   2.330
   57    HA3  GLY   8           1HA      GLY   8  -9.747  -6.207   2.666
   58    H    HIS   9           H        HIS   9  -8.093  -3.839   3.196
   59    HA   HIS   9           HA       HIS   9  -7.722  -2.904   0.539
   60    HB2  HIS   9           2HB      HIS   9  -6.976  -1.593   3.227
   61    HB3  HIS   9           1HB      HIS   9  -7.081  -0.770   1.629
   62    HD1  HIS   9           1HD      HIS   9  -9.222  -1.865   4.508
   63    HD2  HIS   9           2HD      HIS   9  -9.776  -0.590   0.554
   64    HE1  HIS   9           1HE      HIS   9 -11.683  -1.231   4.215
   65    H    ILE  10           H        ILE  10  -5.734  -4.169   3.143
   66    HA   ILE  10           HA       ILE  10  -3.224  -3.242   2.241
   67    HB   ILE  10           HB       ILE  10  -4.072  -5.314   4.260
   68   HG12  ILE  10          2HG1      ILE  10  -3.159  -2.367   4.221
   69   HG13  ILE  10          1HG1      ILE  10  -4.719  -3.035   4.812
   70   HG21  ILE  10          1HG2      ILE  10  -1.240  -4.285   3.564
   71   HG22  ILE  10          2HG2      ILE  10  -1.848  -5.978   3.365
   72   HG23  ILE  10          3HG2      ILE  10  -1.667  -5.291   5.000
   73   HD11  ILE  10          3HD1      ILE  10  -3.340  -2.405   6.719
   74   HD12  ILE  10          1HD1      ILE  10  -1.941  -3.343   6.076
   75   HD13  ILE  10          2HD1      ILE  10  -3.419  -4.213   6.664
   76    H    GLN  11           H        GLN  11  -5.292  -6.029   1.668
   77    HA   GLN  11           HA       GLN  11  -3.356  -7.707   0.539
   78    HB2  GLN  11           2HB      GLN  11  -5.072  -9.066   1.188
   79    HB3  GLN  11           1HB      GLN  11  -6.217  -7.693   1.214
   80    HG2  GLN  11           2HG      GLN  11  -6.668  -7.918  -1.202
   81    HG3  GLN  11           1HG      GLN  11  -5.536  -9.327  -1.308
   82   HE21  GLN  11          1HE2      GLN  11  -6.031 -11.200   0.213
   83   HE22  GLN  11          2HE2      GLN  11  -7.710 -11.578   0.541
   84    H    VAL  12           H        VAL  12  -5.305  -5.072  -0.734
   85    HA   VAL  12           HA       VAL  12  -4.823  -5.864  -3.470
   86    HB   VAL  12           HB       VAL  12  -6.137  -3.367  -2.309
   87   HG11  VAL  12          1HG1      VAL  12  -5.171  -2.822  -4.538
   88   HG12  VAL  12          2HG1      VAL  12  -6.940  -3.073  -4.724
   89   HG13  VAL  12          3HG1      VAL  12  -5.787  -4.369  -5.224
   90   HG21  VAL  12          3HG2      VAL  12  -7.406  -5.502  -1.900
   91   HG22  VAL  12          1HG2      VAL  12  -7.273  -5.919  -3.647
   92   HG23  VAL  12          2HG2      VAL  12  -8.233  -4.484  -3.129
   93    H    LYS  13           H        LYS  13  -3.665  -3.495  -1.107
   94    HA   LYS  13           HA       LYS  13  -2.613  -1.719  -2.990
   95    HB2  LYS  13           2HB      LYS  13  -1.787  -0.412  -1.188
   96    HB3  LYS  13           1HB      LYS  13  -3.399  -1.110  -0.717
   97    HG2  LYS  13           2HG      LYS  13  -2.288  -1.443   1.248
   98    HG3  LYS  13           1HG      LYS  13  -1.841  -2.968   0.407
   99    HD2  LYS  13           2HD      LYS  13   0.231  -1.662  -0.444
  100    HD3  LYS  13           1HD      LYS  13  -0.219  -0.374   0.700
  101    HE2  LYS  13           2HE      LYS  13   1.510  -1.814   1.767
  102    HE3  LYS  13           1HE      LYS  13  -0.063  -2.073   2.626
  103    HZ1  LYS  13           3HZ      LYS  13   1.083  -3.804   0.492
  104    HZ2  LYS  13           1HZ      LYS  13  -0.383  -4.058   1.311
  105    HZ3  LYS  13           2HZ      LYS  13   1.086  -4.123   2.161
  106    H    VAL  14           H        VAL  14  -1.219  -4.381  -1.672
  107    HA   VAL  14           HA       VAL  14   1.442  -3.922  -1.809
  108    HB   VAL  14           HB       VAL  14   0.213  -5.838  -0.896
  109   HG11  VAL  14          1HG1      VAL  14  -0.585  -7.744  -2.190
  110   HG12  VAL  14          2HG1      VAL  14  -0.160  -6.931  -3.731
  111   HG13  VAL  14          3HG1      VAL  14  -1.448  -6.244  -2.673
  112   HG21  VAL  14          3HG2      VAL  14   1.918  -7.605  -1.475
  113   HG22  VAL  14          1HG2      VAL  14   2.720  -5.979  -1.405
  114   HG23  VAL  14          2HG2      VAL  14   2.286  -6.712  -3.002
  115    H    PHE  15           H        PHE  15  -0.758  -4.549  -4.175
  116    HA   PHE  15           HA       PHE  15   0.667  -5.429  -6.374
  117    HB2  PHE  15           2HB      PHE  15  -1.144  -5.184  -7.770
  118    HB3  PHE  15           1HB      PHE  15  -1.919  -5.292  -6.151
  119    HD1  PHE  15           2HD      PHE  15  -1.835  -2.441  -5.174
  120    HD2  PHE  15           1HD      PHE  15  -2.580  -4.029  -9.098
  121    HE1  PHE  15           2HE      PHE  15  -3.192  -0.466  -5.711
  122    HE2  PHE  15           1HE      PHE  15  -3.939  -2.041  -9.635
  123    HZ   PHE  15           HZ       PHE  15  -4.252  -0.253  -7.945
  124    H    ASN  16           H        ASN  16   0.185  -2.146  -5.332
  125    HA   ASN  16           HA       ASN  16   1.286  -0.873  -7.609
  126    HB2  ASN  16           2HB      ASN  16  -0.391   0.174  -6.010
  127    HB3  ASN  16           1HB      ASN  16   0.867   0.195  -4.736
  128   HD21  ASN  16          1HD2      ASN  16   2.111   2.055  -4.630
  129   HD22  ASN  16          2HD2      ASN  16   2.263   3.260  -5.893
  130    H    HIS  17           H        HIS  17   2.461  -1.627  -4.259
  131    HA   HIS  17           HA       HIS  17   4.782  -0.431  -4.388
  132    HB2  HIS  17           2HB      HIS  17   4.018  -2.916  -2.786
  133    HB3  HIS  17           1HB      HIS  17   5.470  -1.904  -2.455
  134    HD1  HIS  17           1HD      HIS  17   3.745  -1.991  -0.118
  135    HD2  HIS  17           2HD      HIS  17   2.932   0.763  -3.180
  136    HE1  HIS  17           1HE      HIS  17   2.367  -0.078   0.866
  137    H    GLY  18           H        GLY  18   4.037  -3.776  -5.322
  138    HA2  GLY  18           2HA      GLY  18   6.245  -3.876  -7.078
  139    HA3  GLY  18           1HA      GLY  18   6.526  -4.832  -5.559
  140    H    GLU  19           H        GLU  19   5.763  -6.824  -5.479
  141    HA   GLU  19           HA       GLU  19   5.024  -8.736  -6.076
  142    HB2  GLU  19           2HB      GLU  19   2.740  -7.463  -7.661
  143    HB3  GLU  19           1HB      GLU  19   2.965  -9.215  -7.311
  144    HG2  GLU  19           2HG      GLU  19   2.899  -8.628  -4.804
  145    HG3  GLU  19           1HG      GLU  19   2.402  -6.961  -5.284
  146    H    HIS  20           H        HIS  20   6.971  -9.076  -7.091
  147    HA   HIS  20           HA       HIS  20   8.358  -9.605  -8.633
  148    HB2  HIS  20           2HB      HIS  20   6.131  -9.494 -10.739
  149    HB3  HIS  20           1HB      HIS  20   7.803 -10.098 -10.993
  150    HD1  HIS  20           1HD      HIS  20   4.696 -10.984  -8.884
  151    HD2  HIS  20           2HD      HIS  20   8.216 -12.739 -10.347
  152    HE1  HIS  20           1HE      HIS  20   4.607 -13.489  -8.378
  153    H    ILE  21           H        ILE  21   7.075  -7.875 -11.369
  154    HA   ILE  21           HA       ILE  21   8.962  -5.739 -10.964
  155    HB   ILE  21           HB       ILE  21   8.201  -5.112 -13.282
  156   HG12  ILE  21          2HG1      ILE  21   6.728  -7.825 -13.176
  157   HG13  ILE  21          1HG1      ILE  21   5.924  -6.218 -13.130
  158   HG21  ILE  21          1HG2      ILE  21   9.314  -7.963 -12.875
  159   HG22  ILE  21          2HG2      ILE  21  10.255  -6.430 -12.739
  160   HG23  ILE  21          3HG2      ILE  21   9.549  -6.912 -14.320
  161   HD11  ILE  21          3HD1      ILE  21   7.633  -7.327 -15.452
  162   HD12  ILE  21          1HD1      ILE  21   6.913  -5.672 -15.388
  163   HD13  ILE  21          2HD1      ILE  21   5.845  -7.125 -15.416
  164    H    HIS  22           H        HIS  22   8.018  -3.513 -11.784
  165    HA   HIS  22           HA       HIS  22   5.947  -2.857  -9.910
  166    HB2  HIS  22           2HB      HIS  22   7.991  -1.414 -10.185
  167    HB3  HIS  22           1HB      HIS  22   7.532  -1.114 -11.891
  168    HD1  HIS  22           1HD      HIS  22   5.950  -0.598  -8.389
  169    HD2  HIS  22           2HD      HIS  22   5.980   1.155 -12.200
  170    HE1  HIS  22           1HE      HIS  22   4.562   1.543  -8.288
  171    H    HIS  23           H        HIS  23   6.463  -2.982 -13.405
  172    HA   HIS  23           HA       HIS  23   4.077  -1.638 -14.099
  173    HB2  HIS  23           2HB      HIS  23   6.116  -1.670 -15.534
  174    HB3  HIS  23           1HB      HIS  23   5.902  -3.427 -15.810
  175    HD1  HIS  23           1HD      HIS  23   3.563  -4.026 -17.211
  176    HD2  HIS  23           2HD      HIS  23   4.753  -0.002 -17.248
  177    HE1  HIS  23           1HE      HIS  23   2.330  -2.850 -19.116
  Start of MODEL   15
    1    H1   PHE   1           1HT      PHE   1 -18.824   4.941   6.472
    2    H2   PHE   1           2HT      PHE   1 -18.037   4.847   4.969
    3    H3   PHE   1           3HT      PHE   1 -17.948   3.546   6.058
    4    HA   PHE   1           HA       PHE   1 -20.370   4.557   4.748
    5    HB2  PHE   1           2HB      PHE   1 -18.758   3.394   3.177
    6    HB3  PHE   1           1HB      PHE   1 -18.762   1.951   4.244
    7    HD1  PHE   1           1HD      PHE   1 -21.452   4.218   2.751
    8    HD2  PHE   1           2HD      PHE   1 -19.942   0.219   3.253
    9    HE1  PHE   1           1HE      PHE   1 -23.378   3.328   1.493
   10    HE2  PHE   1           2HE      PHE   1 -21.869  -0.664   1.982
   11    HZ   PHE   1           HZ       PHE   1 -23.594   0.888   1.104
   12    H    GLU   2           H        GLU   2 -20.050   1.157   5.457
   13    HA   GLU   2           HA       GLU   2 -21.762   1.450   7.836
   14    HB2  GLU   2           2HB      GLU   2 -21.626  -0.807   5.737
   15    HB3  GLU   2           1HB      GLU   2 -22.610  -0.851   7.242
   16    HG2  GLU   2           2HG      GLU   2 -22.942   1.119   4.877
   17    HG3  GLU   2           1HG      GLU   2 -23.979  -0.308   5.232
   18    H    ASP   3           H        ASP   3 -19.605  -0.987   6.214
   19    HA   ASP   3           HA       ASP   3 -17.760  -0.894   8.331
   20    HB2  ASP   3           2HB      ASP   3 -17.816  -3.339   8.899
   21    HB3  ASP   3           1HB      ASP   3 -19.176  -2.392   9.591
   22    H    LEU   4           H        LEU   4 -16.186  -0.568   7.023
   23    HA   LEU   4           HA       LEU   4 -15.906  -2.158   4.575
   24    HB2  LEU   4           2HB      LEU   4 -14.425   0.377   5.527
   25    HB3  LEU   4           1HB      LEU   4 -14.145  -0.437   3.952
   26    HG   LEU   4           HG       LEU   4 -16.774   0.888   4.850
   27   HD11  LEU   4          1HD1      LEU   4 -14.963   2.546   4.485
   28   HD12  LEU   4          2HD1      LEU   4 -16.227   2.665   3.205
   29   HD13  LEU   4          3HD1      LEU   4 -14.650   1.867   2.843
   30   HD21  LEU   4          3HD2      LEU   4 -17.476   0.645   2.451
   31   HD22  LEU   4          1HD2      LEU   4 -17.258  -0.947   3.255
   32   HD23  LEU   4          2HD2      LEU   4 -15.995  -0.329   2.121
   33    HA   PRO   5           HA       PRO   5 -12.849  -4.452   6.563
   34    HB2  PRO   5           2HB      PRO   5 -11.137  -4.417   4.039
   35    HB3  PRO   5           1HB      PRO   5 -11.865  -5.839   4.891
   36    HG2  PRO   5           2HG      PRO   5 -12.955  -4.968   2.550
   37    HG3  PRO   5           1HG      PRO   5 -14.078  -5.311   3.945
   38    HD2  PRO   5           2HD      PRO   5 -12.837  -2.598   3.252
   39    HD3  PRO   5           1HD      PRO   5 -14.611  -3.036   3.341
   40    H    ASN   6           H        ASN   6 -10.360  -4.822   6.704
   41    HA   ASN   6           HA       ASN   6  -8.954  -2.254   6.976
   42    HB2  ASN   6           2HB      ASN   6  -9.562  -3.278   9.241
   43    HB3  ASN   6           1HB      ASN   6  -8.684  -4.770   8.780
   44   HD21  ASN   6          1HD2      ASN   6  -8.157  -1.184   8.707
   45   HD22  ASN   6          2HD2      ASN   6  -6.542  -1.199   9.396
   46    H    PHE   7           H        PHE   7  -8.511  -5.835   6.909
   47    HA   PHE   7           HA       PHE   7  -5.966  -5.589   5.646
   48    HB2  PHE   7           2HB      PHE   7  -7.663  -8.064   6.376
   49    HB3  PHE   7           1HB      PHE   7  -5.948  -8.115   5.803
   50    HD1  PHE   7           1HD      PHE   7  -4.185  -6.852   7.137
   51    HD2  PHE   7           2HD      PHE   7  -8.112  -7.668   8.685
   52    HE1  PHE   7           1HE      PHE   7  -3.361  -6.463   9.437
   53    HE2  PHE   7           2HE      PHE   7  -7.284  -7.284  10.984
   54    HZ   PHE   7           HZ       PHE   7  -4.908  -6.681  11.364
   55    H    GLY   8           H        GLY   8  -9.124  -5.507   4.428
   56    HA2  GLY   8           2HA      GLY   8  -8.618  -7.008   2.019
   57    HA3  GLY   8           1HA      GLY   8 -10.059  -6.039   2.492
   58    H    HIS   9           H        HIS   9  -7.469  -4.102   3.148
   59    HA   HIS   9           HA       HIS   9  -7.426  -2.848   0.491
   60    HB2  HIS   9           2HB      HIS   9  -6.882  -1.636   3.270
   61    HB3  HIS   9           1HB      HIS   9  -6.848  -0.748   1.701
   62    HD1  HIS   9           1HD      HIS   9  -9.047  -1.096   4.472
   63    HD2  HIS   9           2HD      HIS   9  -9.639  -1.337   0.327
   64    HE1  HIS   9           1HE      HIS   9 -11.525  -0.687   3.998
   65    H    ILE  10           H        ILE  10  -5.687  -4.333   3.152
   66    HA   ILE  10           HA       ILE  10  -3.116  -3.325   2.547
   67    HB   ILE  10           HB       ILE  10  -4.063  -5.527   4.366
   68   HG12  ILE  10          2HG1      ILE  10  -3.286  -2.547   4.568
   69   HG13  ILE  10          1HG1      ILE  10  -4.859  -3.308   4.979
   70   HG21  ILE  10          1HG2      ILE  10  -1.725  -5.426   5.312
   71   HG22  ILE  10          2HG2      ILE  10  -1.237  -4.323   3.969
   72   HG23  ILE  10          3HG2      ILE  10  -1.728  -6.029   3.636
   73   HD11  ILE  10          3HD1      ILE  10  -3.687  -2.739   7.036
   74   HD12  ILE  10          1HD1      ILE  10  -2.196  -3.579   6.473
   75   HD13  ILE  10          2HD1      ILE  10  -3.677  -4.542   6.874
   76    H    GLN  11           H        GLN  11  -5.019  -6.176   1.690
   77    HA   GLN  11           HA       GLN  11  -2.832  -7.608   0.551
   78    HB2  GLN  11           2HB      GLN  11  -4.505  -9.238  -0.201
   79    HB3  GLN  11           1HB      GLN  11  -4.758  -8.786   1.516
   80    HG2  GLN  11           2HG      GLN  11  -6.616  -7.196   0.795
   81    HG3  GLN  11           1HG      GLN  11  -6.387  -7.742  -0.904
   82   HE21  GLN  11          1HE2      GLN  11  -6.940  -9.075   2.439
   83   HE22  GLN  11          2HE2      GLN  11  -7.980 -10.390   1.930
   84    H    VAL  12           H        VAL  12  -4.649  -4.922  -0.548
   85    HA   VAL  12           HA       VAL  12  -4.539  -5.678  -3.353
   86    HB   VAL  12           HB       VAL  12  -5.784  -3.241  -1.983
   87   HG11  VAL  12          1HG1      VAL  12  -7.024  -3.049  -4.194
   88   HG12  VAL  12          2HG1      VAL  12  -5.980  -4.354  -4.870
   89   HG13  VAL  12          3HG1      VAL  12  -5.260  -2.773  -4.375
   90   HG21  VAL  12          3HG2      VAL  12  -6.899  -5.331  -1.236
   91   HG22  VAL  12          1HG2      VAL  12  -7.012  -5.913  -2.940
   92   HG23  VAL  12          2HG2      VAL  12  -7.950  -4.468  -2.408
   93    H    LYS  13           H        LYS  13  -3.057  -3.594  -0.927
   94    HA   LYS  13           HA       LYS  13  -2.109  -1.688  -2.796
   95    HB2  LYS  13           2HB      LYS  13  -1.218  -0.510  -0.958
   96    HB3  LYS  13           1HB      LYS  13  -2.758  -1.275  -0.379
   97    HG2  LYS  13           2HG      LYS  13  -1.455  -1.772   1.440
   98    HG3  LYS  13           1HG      LYS  13  -0.977  -3.173   0.420
   99    HD2  LYS  13           2HD      LYS  13   0.904  -1.686  -0.493
  100    HD3  LYS  13           1HD      LYS  13   0.491  -0.488   0.767
  101    HE2  LYS  13           2HE      LYS  13   1.011  -2.187   2.571
  102    HE3  LYS  13           1HE      LYS  13   1.373  -3.424   1.297
  103    HZ1  LYS  13           3HZ      LYS  13   2.815  -0.856   1.703
  104    HZ2  LYS  13           1HZ      LYS  13   3.148  -2.016   0.507
  105    HZ3  LYS  13           2HZ      LYS  13   3.353  -2.405   2.148
  106    H    VAL  14           H        VAL  14  -0.887  -4.551  -1.758
  107    HA   VAL  14           HA       VAL  14   1.830  -4.109  -1.975
  108    HB   VAL  14           HB       VAL  14   1.946  -6.591  -2.335
  109   HG11  VAL  14          1HG1      VAL  14  -0.135  -5.656  -0.277
  110   HG12  VAL  14          2HG1      VAL  14   1.649  -5.439  -0.064
  111   HG13  VAL  14          3HG1      VAL  14   0.927  -7.104  -0.091
  112   HG21  VAL  14          3HG2      VAL  14   0.021  -7.121  -3.732
  113   HG22  VAL  14          1HG2      VAL  14  -1.126  -6.457  -2.507
  114   HG23  VAL  14          2HG2      VAL  14  -0.186  -7.950  -2.159
  115    H    PHE  15           H        PHE  15  -0.595  -4.702  -4.096
  116    HA   PHE  15           HA       PHE  15   0.899  -5.447  -6.471
  117    HB2  PHE  15           2HB      PHE  15  -2.042  -4.529  -6.271
  118    HB3  PHE  15           1HB      PHE  15  -1.277  -5.213  -7.758
  119    HD1  PHE  15           2HD      PHE  15   0.215  -7.513  -7.031
  120    HD2  PHE  15           1HD      PHE  15  -3.454  -6.088  -5.301
  121    HE1  PHE  15           2HE      PHE  15  -0.333  -9.804  -6.298
  122    HE2  PHE  15           1HE      PHE  15  -4.005  -8.387  -4.583
  123    HZ   PHE  15           HZ       PHE  15  -2.442 -10.250  -5.071
  124    H    ASN  16           H        ASN  16  -0.473  -2.430  -5.181
  125    HA   ASN  16           HA       ASN  16   0.086  -0.888  -7.503
  126    HB2  ASN  16           2HB      ASN  16  -1.706  -0.325  -5.787
  127    HB3  ASN  16           1HB      ASN  16  -0.417   0.010  -4.587
  128   HD21  ASN  16          1HD2      ASN  16   0.314   2.118  -4.509
  129   HD22  ASN  16          2HD2      ASN  16   0.079   3.334  -5.748
  130    H    HIS  17           H        HIS  17   1.654  -1.488  -4.295
  131    HA   HIS  17           HA       HIS  17   3.574   0.270  -4.390
  132    HB2  HIS  17           2HB      HIS  17   2.788  -1.096  -2.440
  133    HB3  HIS  17           1HB      HIS  17   3.741  -2.485  -3.059
  134    HD1  HIS  17           1HD      HIS  17   6.423  -2.205  -2.712
  135    HD2  HIS  17           2HD      HIS  17   4.142   0.989  -1.241
  136    HE1  HIS  17           1HE      HIS  17   7.939  -0.767  -1.239
  137    H    GLY  18           H        GLY  18   5.858   0.206  -4.782
  138    HA2  GLY  18           2HA      GLY  18   7.381  -1.792  -5.734
  139    HA3  GLY  18           1HA      GLY  18   6.548  -1.083  -7.190
  140    H    GLU  19           H        GLU  19   6.224   1.517  -5.960
  141    HA   GLU  19           HA       GLU  19   7.084   3.454  -5.816
  142    HB2  GLU  19           2HB      GLU  19   9.757   2.249  -4.953
  143    HB3  GLU  19           1HB      GLU  19   9.285   3.976  -4.838
  144    HG2  GLU  19           2HG      GLU  19   7.967   1.607  -3.343
  145    HG3  GLU  19           1HG      GLU  19   9.091   2.825  -2.641
  146    H    HIS  20           H        HIS  20   6.729   3.879  -7.935
  147    HA   HIS  20           HA       HIS  20   8.824   3.232  -9.857
  148    HB2  HIS  20           2HB      HIS  20   5.952   4.200 -10.350
  149    HB3  HIS  20           1HB      HIS  20   7.067   3.437 -11.546
  150    HD1  HIS  20           1HD      HIS  20   7.773   0.794 -10.680
  151    HD2  HIS  20           2HD      HIS  20   4.250   2.460  -9.125
  152    HE1  HIS  20           1HE      HIS  20   6.364  -1.098  -9.695
  153    H    ILE  21           H        ILE  21   8.239   5.116 -11.838
  154    HA   ILE  21           HA       ILE  21   9.284   7.532 -10.685
  155    HB   ILE  21           HB       ILE  21   9.496   8.148 -13.127
  156   HG12  ILE  21          2HG1      ILE  21   7.714   6.355 -13.853
  157   HG13  ILE  21          1HG1      ILE  21   9.145   6.708 -14.864
  158   HG21  ILE  21          1HG2      ILE  21  11.549   6.775 -13.369
  159   HG22  ILE  21          2HG2      ILE  21  10.994   5.689 -12.035
  160   HG23  ILE  21          3HG2      ILE  21  11.342   7.423 -11.697
  161   HD11  ILE  21          3HD1      ILE  21  10.284   4.637 -14.134
  162   HD12  ILE  21          1HD1      ILE  21   8.666   4.292 -14.835
  163   HD13  ILE  21          2HD1      ILE  21   8.898   4.223 -13.057
  164    H    HIS  22           H        HIS  22   8.448   9.553 -11.842
  165    HA   HIS  22           HA       HIS  22   6.961  11.045 -12.127
  166    HB2  HIS  22           2HB      HIS  22   5.909   9.532 -13.856
  167    HB3  HIS  22           1HB      HIS  22   4.768   8.965 -12.596
  168    HD1  HIS  22           1HD      HIS  22   5.868  12.396 -14.045
  169    HD2  HIS  22           2HD      HIS  22   2.429  10.427 -12.664
  170    HE1  HIS  22           1HE      HIS  22   3.879  13.974 -14.330
  171    H    HIS  23           H        HIS  23   7.472   9.498  -9.530
  172    HA   HIS  23           HA       HIS  23   5.106  10.211  -7.983
  173    HB2  HIS  23           2HB      HIS  23   7.775   8.917  -7.177
  174    HB3  HIS  23           1HB      HIS  23   6.439   9.317  -6.038
  175    HD1  HIS  23           1HD      HIS  23   6.828   6.560  -5.719
  176    HD2  HIS  23           2HD      HIS  23   4.736   7.817  -9.135
  177    HE1  HIS  23           1HE      HIS  23   5.482   4.580  -6.609
  Start of MODEL   16
    1    H1   PHE   1           1HT      PHE   1 -12.130   2.637  -5.165
    2    H2   PHE   1           2HT      PHE   1 -13.272   2.967  -3.951
    3    H3   PHE   1           3HT      PHE   1 -13.675   3.206  -5.584
    4    HA   PHE   1           HA       PHE   1 -13.503   0.889  -6.026
    5    HB2  PHE   1           2HB      PHE   1 -13.004   0.595  -2.975
    6    HB3  PHE   1           1HB      PHE   1 -13.197  -0.778  -4.130
    7    HD1  PHE   1           1HD      PHE   1 -11.563  -0.904  -6.131
    8    HD2  PHE   1           2HD      PHE   1 -10.819   1.352  -2.547
    9    HE1  PHE   1           1HE      PHE   1  -9.129  -1.014  -6.563
   10    HE2  PHE   1           2HE      PHE   1  -8.387   1.241  -2.984
   11    HZ   PHE   1           HZ       PHE   1  -7.537   0.053  -4.989
   12    H    GLU   2           H        GLU   2 -15.004  -0.709  -3.922
   13    HA   GLU   2           HA       GLU   2 -17.572   0.720  -3.933
   14    HB2  GLU   2           2HB      GLU   2 -16.864  -2.255  -3.612
   15    HB3  GLU   2           1HB      GLU   2 -18.538  -1.590  -3.608
   16    HG2  GLU   2           2HG      GLU   2 -16.569  -1.604  -5.995
   17    HG3  GLU   2           1HG      GLU   2 -18.003  -2.668  -5.778
   18    H    ASP   3           H        ASP   3 -15.009   0.644  -2.180
   19    HA   ASP   3           HA       ASP   3 -14.338   0.859  -0.245
   20    HB2  ASP   3           2HB      ASP   3 -15.445   1.234   1.818
   21    HB3  ASP   3           1HB      ASP   3 -16.123   2.232   0.491
   22    H    LEU   4           H        LEU   4 -12.964  -0.516   0.427
   23    HA   LEU   4           HA       LEU   4 -13.725  -3.333   0.430
   24    HB2  LEU   4           2HB      LEU   4 -10.948  -1.986   0.437
   25    HB3  LEU   4           1HB      LEU   4 -11.260  -3.738   0.206
   26    HG   LEU   4           HG       LEU   4 -12.054  -1.460  -1.700
   27   HD11  LEU   4          1HD1      LEU   4 -10.339  -2.433  -3.216
   28   HD12  LEU   4          2HD1      LEU   4  -9.929  -3.674  -1.974
   29   HD13  LEU   4          3HD1      LEU   4  -9.610  -1.928  -1.645
   30   HD21  LEU   4          3HD2      LEU   4 -12.693  -3.261  -3.323
   31   HD22  LEU   4          1HD2      LEU   4 -13.753  -3.264  -1.872
   32   HD23  LEU   4          2HD2      LEU   4 -12.451  -4.504  -2.039
   33    HA   PRO   5           HA       PRO   5 -13.243  -3.503   4.735
   34    HB2  PRO   5           2HB      PRO   5 -11.692  -6.115   4.468
   35    HB3  PRO   5           1HB      PRO   5 -13.262  -5.814   5.319
   36    HG2  PRO   5           2HG      PRO   5 -13.270  -7.121   2.926
   37    HG3  PRO   5           1HG      PRO   5 -14.457  -5.753   3.154
   38    HD2  PRO   5           2HD      PRO   5 -11.668  -5.515   1.925
   39    HD3  PRO   5           1HD      PRO   5 -13.284  -5.140   1.155
   40    H    ASN   6           H        ASN   6 -11.628  -4.214   6.537
   41    HA   ASN   6           HA       ASN   6  -9.593  -2.300   6.497
   42    HB2  ASN   6           2HB      ASN   6 -10.866  -3.015   8.559
   43    HB3  ASN   6           1HB      ASN   6 -10.069  -4.619   8.490
   44   HD21  ASN   6          1HD2      ASN   6  -8.196  -4.825   9.670
   45   HD22  ASN   6          2HD2      ASN   6  -7.212  -3.509  10.280
   46    H    PHE   7           H        PHE   7  -9.451  -5.906   6.587
   47    HA   PHE   7           HA       PHE   7  -6.613  -5.951   6.257
   48    HB2  PHE   7           2HB      PHE   7  -8.716  -8.210   6.109
   49    HB3  PHE   7           1HB      PHE   7  -6.922  -8.447   6.180
   50    HD1  PHE   7           1HD      PHE   7  -5.658  -7.469   8.183
   51    HD2  PHE   7           2HD      PHE   7  -9.938  -7.883   8.124
   52    HE1  PHE   7           1HE      PHE   7  -5.713  -7.278  10.648
   53    HE2  PHE   7           2HE      PHE   7  -9.989  -7.690  10.590
   54    HZ   PHE   7           HZ       PHE   7  -7.878  -7.384  11.856
   55    H    GLY   8           H        GLY   8  -9.359  -5.694   4.154
   56    HA2  GLY   8           2HA      GLY   8  -7.948  -6.754   1.846
   57    HA3  GLY   8           1HA      GLY   8  -9.635  -6.156   1.983
   58    H    HIS   9           H        HIS   9  -7.010  -4.270   3.364
   59    HA   HIS   9           HA       HIS   9  -6.951  -2.509   1.006
   60    HB2  HIS   9           2HB      HIS   9  -6.331  -1.850   3.950
   61    HB3  HIS   9           1HB      HIS   9  -6.056  -0.742   2.560
   62    HD1  HIS   9           1HD      HIS   9  -8.746  -0.955   1.055
   63    HD2  HIS   9           2HD      HIS   9  -8.430  -0.606   5.224
   64    HE1  HIS   9           1HE      HIS   9 -10.912   0.078   1.933
   65    H    ILE  10           H        ILE  10  -5.226  -4.383   3.451
   66    HA   ILE  10           HA       ILE  10  -2.654  -3.435   2.792
   67    HB   ILE  10           HB       ILE  10  -3.608  -5.819   4.450
   68   HG12  ILE  10          2HG1      ILE  10  -2.378  -4.375   6.255
   69   HG13  ILE  10          1HG1      ILE  10  -2.514  -3.016   5.089
   70   HG21  ILE  10          1HG2      ILE  10  -0.721  -4.825   3.938
   71   HG22  ILE  10          2HG2      ILE  10  -1.390  -6.456   3.533
   72   HG23  ILE  10          3HG2      ILE  10  -1.202  -5.969   5.244
   73   HD11  ILE  10          3HD1      ILE  10  -4.872  -4.655   6.250
   74   HD12  ILE  10          1HD1      ILE  10  -5.016  -3.192   5.204
   75   HD13  ILE  10          2HD1      ILE  10  -4.325  -3.049   6.854
   76    H    GLN  11           H        GLN  11  -4.525  -6.331   1.972
   77    HA   GLN  11           HA       GLN  11  -2.361  -7.478   0.495
   78    HB2  GLN  11           2HB      GLN  11  -3.882  -9.327  -0.053
   79    HB3  GLN  11           1HB      GLN  11  -3.864  -8.919   1.679
   80    HG2  GLN  11           2HG      GLN  11  -6.109  -9.273   1.384
   81    HG3  GLN  11           1HG      GLN  11  -6.016  -7.485   1.231
   82   HE21  GLN  11          1HE2      GLN  11  -8.166  -7.859   0.190
   83   HE22  GLN  11          2HE2      GLN  11  -8.243  -8.263  -1.513
   84    H    VAL  12           H        VAL  12  -4.455  -4.937  -0.276
   85    HA   VAL  12           HA       VAL  12  -4.588  -5.596  -3.106
   86    HB   VAL  12           HB       VAL  12  -5.809  -3.283  -1.530
   87   HG11  VAL  12          1HG1      VAL  12  -7.189  -3.000  -3.658
   88   HG12  VAL  12          2HG1      VAL  12  -6.109  -4.188  -4.482
   89   HG13  VAL  12          3HG1      VAL  12  -5.455  -2.612  -3.905
   90   HG21  VAL  12          3HG2      VAL  12  -7.940  -4.588  -1.947
   91   HG22  VAL  12          1HG2      VAL  12  -6.792  -5.478  -0.894
   92   HG23  VAL  12          2HG2      VAL  12  -6.963  -5.936  -2.633
   93    H    LYS  13           H        LYS  13  -2.854  -3.619  -0.761
   94    HA   LYS  13           HA       LYS  13  -2.122  -1.641  -2.665
   95    HB2  LYS  13           2HB      LYS  13  -1.068  -0.498  -0.918
   96    HB3  LYS  13           1HB      LYS  13  -2.444  -1.371  -0.125
   97    HG2  LYS  13           2HG      LYS  13  -0.840  -1.857   1.428
   98    HG3  LYS  13           1HG      LYS  13  -0.447  -3.185   0.282
   99    HD2  LYS  13           2HD      LYS  13   1.170  -1.526  -0.846
  100    HD3  LYS  13           1HD      LYS  13   0.893  -0.423   0.536
  101    HE2  LYS  13           2HE      LYS  13   1.786  -2.189   2.124
  102    HE3  LYS  13           1HE      LYS  13   2.051  -3.301   0.717
  103    HZ1  LYS  13           3HZ      LYS  13   3.327  -0.646   1.121
  104    HZ2  LYS  13           1HZ      LYS  13   3.574  -1.683  -0.201
  105    HZ3  LYS  13           2HZ      LYS  13   4.050  -2.164   1.357
  106    H    VAL  14           H        VAL  14  -0.849  -4.558  -1.862
  107    HA   VAL  14           HA       VAL  14   1.853  -4.127  -2.281
  108    HB   VAL  14           HB       VAL  14   1.919  -6.603  -2.659
  109   HG11  VAL  14          1HG1      VAL  14   1.809  -5.470  -0.361
  110   HG12  VAL  14          2HG1      VAL  14   1.073  -7.128  -0.346
  111   HG13  VAL  14          3HG1      VAL  14   0.012  -5.671  -0.436
  112   HG21  VAL  14          3HG2      VAL  14  -0.081  -7.136  -3.905
  113   HG22  VAL  14          1HG2      VAL  14  -1.151  -6.423  -2.640
  114   HG23  VAL  14          2HG2      VAL  14  -0.231  -7.928  -2.304
  115    H    PHE  15           H        PHE  15  -0.728  -4.628  -4.180
  116    HA   PHE  15           HA       PHE  15   0.426  -5.525  -6.659
  117    HB2  PHE  15           2HB      PHE  15  -2.332  -4.197  -6.235
  118    HB3  PHE  15           1HB      PHE  15  -1.803  -5.023  -7.749
  119    HD1  PHE  15           1HD      PHE  15  -0.494  -7.491  -6.823
  120    HD2  PHE  15           2HD      PHE  15  -3.987  -5.522  -5.307
  121    HE1  PHE  15           1HE      PHE  15  -1.362  -9.654  -6.043
  122    HE2  PHE  15           2HE      PHE  15  -4.866  -7.693  -4.518
  123    HZ   PHE  15           HZ       PHE  15  -3.551  -9.767  -4.874
  124    H    ASN  16           H        ASN  16  -0.569  -2.321  -5.434
  125    HA   ASN  16           HA       ASN  16   0.127  -0.988  -7.863
  126    HB2  ASN  16           2HB      ASN  16  -1.745  -0.260  -6.283
  127    HB3  ASN  16           1HB      ASN  16  -0.503   0.148  -5.058
  128   HD21  ASN  16          1HD2      ASN  16  -1.310   0.769  -8.560
  129   HD22  ASN  16          2HD2      ASN  16  -0.867   2.463  -8.550
  130    H    HIS  17           H        HIS  17   1.554  -1.489  -4.566
  131    HA   HIS  17           HA       HIS  17   3.358   0.403  -4.578
  132    HB2  HIS  17           2HB      HIS  17   2.569  -0.612  -2.554
  133    HB3  HIS  17           1HB      HIS  17   3.037  -2.244  -3.134
  134    HD1  HIS  17           1HD      HIS  17   4.928   0.988  -2.060
  135    HD2  HIS  17           2HD      HIS  17   5.285  -3.175  -2.229
  136    HE1  HIS  17           1HE      HIS  17   7.118   0.353  -0.899
  137    H    GLY  18           H        GLY  18   3.952  -3.081  -4.986
  138    HA2  GLY  18           2HA      GLY  18   6.627  -2.558  -6.046
  139    HA3  GLY  18           1HA      GLY  18   5.907  -4.114  -5.473
  140    H    GLU  19           H        GLU  19   5.437  -5.529  -7.031
  141    HA   GLU  19           HA       GLU  19   4.144  -4.654  -9.422
  142    HB2  GLU  19           2HB      GLU  19   5.690  -5.828 -10.989
  143    HB3  GLU  19           1HB      GLU  19   6.395  -4.348 -10.292
  144    HG2  GLU  19           2HG      GLU  19   6.969  -7.158  -9.168
  145    HG3  GLU  19           1HG      GLU  19   7.926  -6.412 -10.499
  146    H    HIS  20           H        HIS  20   3.079  -5.770  -7.406
  147    HA   HIS  20           HA       HIS  20   1.678  -7.286  -6.844
  148    HB2  HIS  20           2HB      HIS  20   2.238  -8.750  -9.475
  149    HB3  HIS  20           1HB      HIS  20   0.921  -9.152  -8.329
  150    HD1  HIS  20           1HD      HIS  20   1.940  -5.827 -10.074
  151    HD2  HIS  20           2HD      HIS  20  -1.423  -8.183  -9.215
  152    HE1  HIS  20           1HE      HIS  20  -0.118  -4.654 -11.033
  153    H    ILE  21           H        ILE  21   1.328  -9.430  -5.897
  154    HA   ILE  21           HA       ILE  21   3.830 -10.713  -5.170
  155    HB   ILE  21           HB       ILE  21   2.373 -11.707  -3.369
  156   HG12  ILE  21          2HG1      ILE  21   0.326  -9.580  -4.247
  157   HG13  ILE  21          1HG1      ILE  21   0.177 -11.329  -4.627
  158   HG21  ILE  21          1HG2      ILE  21   2.594  -8.636  -3.469
  159   HG22  ILE  21          2HG2      ILE  21   3.919  -9.783  -3.040
  160   HG23  ILE  21          3HG2      ILE  21   2.465  -9.655  -1.989
  161   HD11  ILE  21          3HD1      ILE  21  -1.181 -10.774  -2.645
  162   HD12  ILE  21          1HD1      ILE  21   0.258 -10.110  -1.790
  163   HD13  ILE  21          2HD1      ILE  21   0.172 -11.870  -2.174
  164    H    HIS  22           H        HIS  22   2.685 -13.194  -4.458
  165    HA   HIS  22           HA       HIS  22   2.511 -14.385  -7.061
  166    HB2  HIS  22           2HB      HIS  22   2.449 -15.619  -4.250
  167    HB3  HIS  22           1HB      HIS  22   2.579 -16.549  -5.788
  168    HD1  HIS  22           1HD      HIS  22   4.803 -16.884  -3.729
  169    HD2  HIS  22           2HD      HIS  22   4.980 -13.985  -6.760
  170    HE1  HIS  22           1HE      HIS  22   7.255 -16.288  -4.125
  171    H    HIS  23           H        HIS  23   0.463 -13.853  -4.227
  172    HA   HIS  23           HA       HIS  23  -1.666 -15.506  -5.153
  173    HB2  HIS  23           2HB      HIS  23  -1.297 -15.138  -2.724
  174    HB3  HIS  23           1HB      HIS  23  -1.583 -13.379  -2.940
  175    HD1  HIS  23           1HD      HIS  23  -3.588 -16.621  -3.687
  176    HD2  HIS  23           2HD      HIS  23  -4.169 -12.688  -2.341
  177    HE1  HIS  23           1HE      HIS  23  -6.065 -16.328  -3.130
  Start of MODEL   17
    1    H1   PHE   1           1HT      PHE   1 -23.749   4.046   6.126
    2    H2   PHE   1           2HT      PHE   1 -22.923   4.474   7.549
    3    H3   PHE   1           3HT      PHE   1 -23.437   2.871   7.313
    4    HA   PHE   1           HA       PHE   1 -21.440   4.303   5.690
    5    HB2  PHE   1           2HB      PHE   1 -21.136   2.136   7.884
    6    HB3  PHE   1           1HB      PHE   1 -19.824   2.486   6.705
    7    HD1  PHE   1           2HD      PHE   1 -18.692   4.647   6.632
    8    HD2  PHE   1           1HD      PHE   1 -21.591   3.743   9.677
    9    HE1  PHE   1           2HE      PHE   1 -17.856   6.538   7.993
   10    HE2  PHE   1           1HE      PHE   1 -20.749   5.632  11.037
   11    HZ   PHE   1           HZ       PHE   1 -18.881   7.033  10.198
   12    H    GLU   2           H        GLU   2 -20.117   2.808   4.347
   13    HA   GLU   2           HA       GLU   2 -21.768   0.903   2.923
   14    HB2  GLU   2           2HB      GLU   2 -18.843   1.802   2.537
   15    HB3  GLU   2           1HB      GLU   2 -19.758   0.711   1.430
   16    HG2  GLU   2           2HG      GLU   2 -21.368   2.574   0.924
   17    HG3  GLU   2           1HG      GLU   2 -20.464   3.662   2.044
   18    H    ASP   3           H        ASP   3 -19.018   1.191   5.113
   19    HA   ASP   3           HA       ASP   3 -17.958  -0.090   6.425
   20    HB2  ASP   3           2HB      ASP   3 -19.687  -2.506   5.697
   21    HB3  ASP   3           1HB      ASP   3 -18.476  -2.404   7.029
   22    H    LEU   4           H        LEU   4 -16.022   0.004   5.664
   23    HA   LEU   4           HA       LEU   4 -15.364  -1.366   3.185
   24    HB2  LEU   4           2HB      LEU   4 -13.874   0.847   4.753
   25    HB3  LEU   4           1HB      LEU   4 -13.332   0.119   3.208
   26    HG   LEU   4           HG       LEU   4 -15.678   0.899   2.287
   27   HD11  LEU   4          1HD1      LEU   4 -15.313   2.907   4.610
   28   HD12  LEU   4          2HD1      LEU   4 -16.703   1.782   4.385
   29   HD13  LEU   4          3HD1      LEU   4 -16.431   3.111   3.211
   30   HD21  LEU   4          3HD2      LEU   4 -14.630   3.025   1.524
   31   HD22  LEU   4          1HD2      LEU   4 -13.456   1.658   1.474
   32   HD23  LEU   4          2HD2      LEU   4 -13.367   2.876   2.804
   33    HA   PRO   5           HA       PRO   5 -13.049  -4.268   5.411
   34    HB2  PRO   5           2HB      PRO   5 -10.862  -4.133   3.294
   35    HB3  PRO   5           1HB      PRO   5 -11.866  -5.557   3.793
   36    HG2  PRO   5           2HG      PRO   5 -12.386  -4.314   1.427
   37    HG3  PRO   5           1HG      PRO   5 -13.796  -4.662   2.532
   38    HD2  PRO   5           2HD      PRO   5 -12.177  -2.067   2.435
   39    HD3  PRO   5           1HD      PRO   5 -13.966  -2.294   2.134
   40    H    ASN   6           H        ASN   6 -10.673  -4.957   5.943
   41    HA   ASN   6           HA       ASN   6  -9.186  -2.605   6.952
   42    HB2  ASN   6           2HB      ASN   6  -9.514  -5.386   8.279
   43    HB3  ASN   6           1HB      ASN   6  -8.415  -4.079   8.866
   44   HD21  ASN   6          1HD2      ASN   6  -9.601  -1.846   9.148
   45   HD22  ASN   6          2HD2      ASN   6 -11.158  -1.906   9.950
   46    H    PHE   7           H        PHE   7  -8.802  -6.165   6.448
   47    HA   PHE   7           HA       PHE   7  -6.099  -5.788   5.618
   48    HB2  PHE   7           2HB      PHE   7  -6.897  -7.753   7.038
   49    HB3  PHE   7           1HB      PHE   7  -7.816  -8.358   5.612
   50    HD1  PHE   7           1HD      PHE   7  -4.332  -7.180   6.567
   51    HD2  PHE   7           2HD      PHE   7  -6.699  -9.899   4.221
   52    HE1  PHE   7           1HE      PHE   7  -2.270  -8.255   5.728
   53    HE2  PHE   7           2HE      PHE   7  -4.634 -10.975   3.389
   54    HZ   PHE   7           HZ       PHE   7  -2.416 -10.151   4.135
   55    H    GLY   8           H        GLY   8  -9.168  -5.637   4.046
   56    HA2  GLY   8           2HA      GLY   8  -8.289  -6.672   1.513
   57    HA3  GLY   8           1HA      GLY   8  -9.838  -5.873   1.951
   58    H    HIS   9           H        HIS   9  -7.301  -3.970   3.087
   59    HA   HIS   9           HA       HIS   9  -7.069  -2.422   0.593
   60    HB2  HIS   9           2HB      HIS   9  -6.587  -1.574   3.517
   61    HB3  HIS   9           1HB      HIS   9  -6.305  -0.538   2.069
   62    HD1  HIS   9           1HD      HIS   9  -8.855  -0.704   0.486
   63    HD2  HIS   9           2HD      HIS   9  -8.871  -0.634   4.681
   64    HE1  HIS   9           1HE      HIS   9 -11.131   0.166   1.259
   65    H    ILE  10           H        ILE  10  -5.528  -4.201   3.205
   66    HA   ILE  10           HA       ILE  10  -2.917  -3.221   2.807
   67    HB   ILE  10           HB       ILE  10  -4.015  -5.485   4.470
   68   HG12  ILE  10          2HG1      ILE  10  -3.309  -2.507   4.844
   69   HG13  ILE  10          1HG1      ILE  10  -4.894  -3.312   5.100
   70   HG21  ILE  10          1HG2      ILE  10  -1.777  -5.404   5.632
   71   HG22  ILE  10          2HG2      ILE  10  -1.176  -4.250   4.380
   72   HG23  ILE  10          3HG2      ILE  10  -1.617  -5.947   3.944
   73   HD11  ILE  10          3HD1      ILE  10  -3.907  -2.807   7.265
   74   HD12  ILE  10          1HD1      ILE  10  -2.350  -3.581   6.788
   75   HD13  ILE  10          2HD1      ILE  10  -3.830  -4.603   7.032
   76    H    GLN  11           H        GLN  11  -4.734  -6.059   1.719
   77    HA   GLN  11           HA       GLN  11  -2.398  -7.387   0.701
   78    HB2  GLN  11           2HB      GLN  11  -3.895  -9.101  -0.153
   79    HB3  GLN  11           1HB      GLN  11  -4.292  -8.691   1.548
   80    HG2  GLN  11           2HG      GLN  11  -6.189  -7.191   0.669
   81    HG3  GLN  11           1HG      GLN  11  -5.861  -7.835  -0.977
   82   HE21  GLN  11          1HE2      GLN  11  -5.758 -10.340  -1.099
   83   HE22  GLN  11          2HE2      GLN  11  -6.960 -11.225  -0.180
   84    H    VAL  12           H        VAL  12  -4.699  -5.017  -0.462
   85    HA   VAL  12           HA       VAL  12  -4.339  -5.578  -3.235
   86    HB   VAL  12           HB       VAL  12  -5.706  -3.275  -1.760
   87   HG11  VAL  12          1HG1      VAL  12  -5.143  -2.537  -4.067
   88   HG12  VAL  12          2HG1      VAL  12  -6.894  -2.922  -3.978
   89   HG13  VAL  12          3HG1      VAL  12  -5.760  -4.093  -4.748
   90   HG21  VAL  12          3HG2      VAL  12  -7.792  -4.564  -2.391
   91   HG22  VAL  12          1HG2      VAL  12  -6.739  -5.484  -1.265
   92   HG23  VAL  12          2HG2      VAL  12  -6.759  -5.898  -3.022
   93    H    LYS  13           H        LYS  13  -2.843  -3.542  -0.788
   94    HA   LYS  13           HA       LYS  13  -1.870  -1.618  -2.628
   95    HB2  LYS  13           2HB      LYS  13  -0.903  -0.513  -0.774
   96    HB3  LYS  13           1HB      LYS  13  -2.462  -1.233  -0.172
   97    HG2  LYS  13           2HG      LYS  13  -1.176  -1.873   1.594
   98    HG3  LYS  13           1HG      LYS  13  -0.700  -3.216   0.494
   99    HD2  LYS  13           2HD      LYS  13   1.154  -1.651  -0.359
  100    HD3  LYS  13           1HD      LYS  13   0.796  -0.583   1.028
  101    HE2  LYS  13           2HE      LYS  13   1.693  -3.557   1.195
  102    HE3  LYS  13           1HE      LYS  13   2.721  -2.114   1.569
  103    HZ1  LYS  13           3HZ      LYS  13   0.242  -2.923   3.000
  104    HZ2  LYS  13           1HZ      LYS  13   1.205  -1.571   3.354
  105    HZ3  LYS  13           2HZ      LYS  13   1.838  -3.137   3.539
  106    H    VAL  14           H        VAL  14  -0.765  -4.542  -1.617
  107    HA   VAL  14           HA       VAL  14   1.968  -4.188  -2.069
  108    HB   VAL  14           HB       VAL  14   0.137  -6.681  -2.465
  109   HG11  VAL  14          1HG1      VAL  14   2.290  -7.096  -3.527
  110   HG12  VAL  14          2HG1      VAL  14   2.202  -8.042  -1.999
  111   HG13  VAL  14          3HG1      VAL  14   3.193  -6.531  -2.059
  112   HG21  VAL  14          3HG2      VAL  14  -0.208  -5.757  -0.275
  113   HG22  VAL  14          1HG2      VAL  14   1.571  -5.623   0.044
  114   HG23  VAL  14          2HG2      VAL  14   0.783  -7.246  -0.098
  115    H    PHE  15           H        PHE  15  -0.785  -4.811  -3.957
  116    HA   PHE  15           HA       PHE  15   0.660  -5.540  -6.407
  117    HB2  PHE  15           2HB      PHE  15  -2.369  -5.205  -5.935
  118    HB3  PHE  15           1HB      PHE  15  -1.611  -5.806  -7.464
  119    HD1  PHE  15           1HD      PHE  15   0.317  -7.749  -6.858
  120    HD2  PHE  15           2HD      PHE  15  -3.293  -6.908  -4.678
  121    HE1  PHE  15           1HE      PHE  15   0.325 -10.045  -5.955
  122    HE2  PHE  15           2HE      PHE  15  -3.285  -9.212  -3.782
  123    HZ   PHE  15           HZ       PHE  15  -1.473 -10.784  -4.414
  124    H    ASN  16           H        ASN  16  -0.807  -2.768  -4.838
  125    HA   ASN  16           HA       ASN  16  -0.976  -1.181  -7.186
  126    HB2  ASN  16           2HB      ASN  16  -2.331  -0.824  -5.018
  127    HB3  ASN  16           1HB      ASN  16  -0.824  -0.205  -4.267
  128   HD21  ASN  16          1HD2      ASN  16  -2.917   0.212  -7.216
  129   HD22  ASN  16          2HD2      ASN  16  -2.735   1.950  -7.332
  130    H    HIS  17           H        HIS  17   1.525  -1.786  -4.593
  131    HA   HIS  17           HA       HIS  17   3.199   0.069  -5.516
  132    HB2  HIS  17           2HB      HIS  17   4.828  -0.607  -4.022
  133    HB3  HIS  17           1HB      HIS  17   3.264  -0.998  -3.224
  134    HD1  HIS  17           1HD      HIS  17   5.606  -3.202  -5.433
  135    HD2  HIS  17           2HD      HIS  17   3.781  -3.061  -1.663
  136    HE1  HIS  17           1HE      HIS  17   6.254  -5.319  -4.158
  137    H    GLY  18           H        GLY  18   4.993  -0.040  -7.006
  138    HA2  GLY  18           2HA      GLY  18   6.300  -1.000  -8.571
  139    HA3  GLY  18           1HA      GLY  18   5.311  -2.507  -8.540
  140    H    GLU  19           H        GLU  19   2.936  -0.445  -8.522
  141    HA   GLU  19           HA       GLU  19   1.471   0.354  -9.834
  142    HB2  GLU  19           2HB      GLU  19   3.718   1.180 -11.733
  143    HB3  GLU  19           1HB      GLU  19   2.023   1.761 -11.805
  144    HG2  GLU  19           2HG      GLU  19   4.010   2.230  -9.485
  145    HG3  GLU  19           1HG      GLU  19   3.519   3.428 -10.735
  146    H    HIS  20           H        HIS  20   1.011  -2.029  -9.909
  147    HA   HIS  20           HA       HIS  20   1.155  -3.097 -12.618
  148    HB2  HIS  20           2HB      HIS  20   0.071  -4.445 -10.088
  149    HB3  HIS  20           1HB      HIS  20   0.377  -5.207 -11.686
  150    HD1  HIS  20           1HD      HIS  20   3.213  -4.534 -12.356
  151    HD2  HIS  20           2HD      HIS  20   2.081  -5.107  -8.357
  152    HE1  HIS  20           1HE      HIS  20   5.315  -5.048 -10.997
  153    H    ILE  21           H        ILE  21  -1.271  -2.920 -10.004
  154    HA   ILE  21           HA       ILE  21  -3.290  -1.936 -11.847
  155    HB   ILE  21           HB       ILE  21  -4.688  -1.914  -9.729
  156   HG12  ILE  21          2HG1      ILE  21  -2.454  -3.699  -8.606
  157   HG13  ILE  21          1HG1      ILE  21  -2.684  -1.974  -8.155
  158   HG21  ILE  21          1HG2      ILE  21  -3.582  -4.608 -10.748
  159   HG22  ILE  21          2HG2      ILE  21  -4.851  -3.602 -11.549
  160   HG23  ILE  21          3HG2      ILE  21  -5.175  -4.342  -9.942
  161   HD11  ILE  21          3HD1      ILE  21  -4.966  -2.469  -7.292
  162   HD12  ILE  21          1HD1      ILE  21  -3.707  -3.444  -6.461
  163   HD13  ILE  21          2HD1      ILE  21  -4.756  -4.214  -7.706
  164    H    HIS  22           H        HIS  22  -4.452   0.056 -11.118
  165    HA   HIS  22           HA       HIS  22  -2.617   1.979  -9.867
  166    HB2  HIS  22           2HB      HIS  22  -4.306   2.439 -12.400
  167    HB3  HIS  22           1HB      HIS  22  -3.198   3.625 -11.618
  168    HD1  HIS  22           1HD      HIS  22  -0.527   2.509 -11.524
  169    HD2  HIS  22           2HD      HIS  22  -3.168   1.033 -14.431
  170    HE1  HIS  22           1HE      HIS  22   0.847   1.308 -13.317
  171    H    HIS  23           H        HIS  23  -5.851   1.182 -11.058
  172    HA   HIS  23           HA       HIS  23  -7.880   1.653 -10.449
  173    HB2  HIS  23           2HB      HIS  23  -6.760   1.760  -7.608
  174    HB3  HIS  23           1HB      HIS  23  -8.507   1.698  -8.029
  175    HD1  HIS  23           1HD      HIS  23  -7.547  -0.559  -6.324
  176    HD2  HIS  23           2HD      HIS  23  -7.410  -0.775 -10.513
  177    HE1  HIS  23           1HE      HIS  23  -7.565  -3.023  -6.999
  Start of MODEL   18
    1    H1   PHE   1           1HT      PHE   1 -12.696   0.421  -4.790
    2    H2   PHE   1           2HT      PHE   1 -13.231   0.966  -6.307
    3    H3   PHE   1           3HT      PHE   1 -12.423  -0.522  -6.176
    4    HA   PHE   1           HA       PHE   1 -14.746  -0.821  -6.480
    5    HB2  PHE   1           2HB      PHE   1 -13.342  -2.445  -5.092
    6    HB3  PHE   1           1HB      PHE   1 -13.832  -1.561  -3.607
    7    HD1  PHE   1           2HD      PHE   1 -15.584  -2.987  -6.687
    8    HD2  PHE   1           1HD      PHE   1 -15.437  -2.731  -2.394
    9    HE1  PHE   1           2HE      PHE   1 -17.580  -4.431  -6.528
   10    HE2  PHE   1           1HE      PHE   1 -17.431  -4.181  -2.242
   11    HZ   PHE   1           HZ       PHE   1 -18.511  -5.029  -4.308
   12    H    GLU   2           H        GLU   2 -15.700  -0.747  -3.262
   13    HA   GLU   2           HA       GLU   2 -16.987   1.886  -3.493
   14    HB2  GLU   2           2HB      GLU   2 -18.150  -0.772  -2.420
   15    HB3  GLU   2           1HB      GLU   2 -18.942   0.835  -2.270
   16    HG2  GLU   2           2HG      GLU   2 -18.314  -0.680  -4.896
   17    HG3  GLU   2           1HG      GLU   2 -19.920  -0.560  -4.093
   18    H    ASP   3           H        ASP   3 -16.552  -0.861  -1.157
   19    HA   ASP   3           HA       ASP   3 -14.942   0.734   0.569
   20    HB2  ASP   3           2HB      ASP   3 -17.665  -0.411   1.510
   21    HB3  ASP   3           1HB      ASP   3 -16.333   0.133   2.604
   22    H    LEU   4           H        LEU   4 -13.392  -0.651   0.467
   23    HA   LEU   4           HA       LEU   4 -13.830  -3.527   0.576
   24    HB2  LEU   4           2HB      LEU   4 -11.279  -1.800   0.369
   25    HB3  LEU   4           1HB      LEU   4 -11.241  -3.592   0.409
   26    HG   LEU   4           HG       LEU   4 -12.661  -1.931  -1.747
   27   HD11  LEU   4          1HD1      LEU   4 -10.744  -2.495  -3.226
   28   HD12  LEU   4          2HD1      LEU   4  -9.907  -3.313  -1.852
   29   HD13  LEU   4          3HD1      LEU   4 -10.207  -1.535  -1.797
   30   HD21  LEU   4          3HD2      LEU   4 -12.678  -4.085  -3.041
   31   HD22  LEU   4          1HD2      LEU   4 -13.631  -4.216  -1.522
   32   HD23  LEU   4          2HD2      LEU   4 -11.982  -4.944  -1.617
   33    HA   PRO   5           HA       PRO   5 -13.126  -3.643   4.868
   34    HB2  PRO   5           2HB      PRO   5 -11.465  -6.171   4.498
   35    HB3  PRO   5           1HB      PRO   5 -12.993  -5.950   5.446
   36    HG2  PRO   5           2HG      PRO   5 -13.082  -7.258   3.054
   37    HG3  PRO   5           1HG      PRO   5 -14.320  -5.954   3.361
   38    HD2  PRO   5           2HD      PRO   5 -11.636  -5.569   1.956
   39    HD3  PRO   5           1HD      PRO   5 -13.318  -5.285   1.296
   40    H    ASN   6           H        ASN   6 -11.365  -4.267   6.564
   41    HA   ASN   6           HA       ASN   6  -9.401  -2.248   6.306
   42    HB2  ASN   6           2HB      ASN   6  -9.706  -4.415   8.491
   43    HB3  ASN   6           1HB      ASN   6  -8.662  -2.949   8.614
   44   HD21  ASN   6          1HD2      ASN   6 -11.714  -4.197   9.389
   45   HD22  ASN   6          2HD2      ASN   6 -12.584  -2.695   9.626
   46    H    PHE   7           H        PHE   7  -9.235  -5.837   6.506
   47    HA   PHE   7           HA       PHE   7  -6.394  -5.892   6.101
   48    HB2  PHE   7           2HB      PHE   7  -8.515  -8.145   6.004
   49    HB3  PHE   7           1HB      PHE   7  -6.722  -8.389   6.026
   50    HD1  PHE   7           1HD      PHE   7  -5.408  -7.400   8.005
   51    HD2  PHE   7           2HD      PHE   7  -9.679  -7.893   8.053
   52    HE1  PHE   7           1HE      PHE   7  -5.398  -7.268  10.475
   53    HE2  PHE   7           2HE      PHE   7  -9.665  -7.760  10.524
   54    HZ   PHE   7           HZ       PHE   7  -7.525  -7.444  11.739
   55    H    GLY   8           H        GLY   8  -9.241  -5.663   4.121
   56    HA2  GLY   8           2HA      GLY   8  -7.984  -6.764   1.760
   57    HA3  GLY   8           1HA      GLY   8  -9.627  -6.084   1.976
   58    H    HIS   9           H        HIS   9  -6.867  -4.307   3.194
   59    HA   HIS   9           HA       HIS   9  -6.881  -2.524   0.855
   60    HB2  HIS   9           2HB      HIS   9  -6.236  -1.934   3.804
   61    HB3  HIS   9           1HB      HIS   9  -5.944  -0.780   2.454
   62    HD1  HIS   9           1HD      HIS   9  -8.017  -0.420   4.951
   63    HD2  HIS   9           2HD      HIS   9  -8.961  -1.229   0.943
   64    HE1  HIS   9           1HE      HIS   9 -10.379   0.444   4.497
   65    H    ILE  10           H        ILE  10  -5.088  -4.490   3.172
   66    HA   ILE  10           HA       ILE  10  -2.536  -3.490   2.382
   67    HB   ILE  10           HB       ILE  10  -3.419  -5.782   4.224
   68   HG12  ILE  10          2HG1      ILE  10  -2.090  -4.173   5.862
   69   HG13  ILE  10          1HG1      ILE  10  -2.416  -2.915   4.622
   70   HG21  ILE  10          1HG2      ILE  10  -0.557  -4.797   3.563
   71   HG22  ILE  10          2HG2      ILE  10  -1.224  -6.451   3.267
   72   HG23  ILE  10          3HG2      ILE  10  -0.986  -5.872   4.943
   73   HD11  ILE  10          3HD1      ILE  10  -4.544  -4.628   6.088
   74   HD12  ILE  10          1HD1      ILE  10  -4.885  -3.276   4.945
   75   HD13  ILE  10          2HD1      ILE  10  -4.088  -2.939   6.518
   76    H    GLN  11           H        GLN  11  -4.549  -6.313   1.733
   77    HA   GLN  11           HA       GLN  11  -2.513  -7.593   0.133
   78    HB2  GLN  11           2HB      GLN  11  -4.169  -9.346  -0.295
   79    HB3  GLN  11           1HB      GLN  11  -4.066  -8.959   1.453
   80    HG2  GLN  11           2HG      GLN  11  -6.115  -7.482   1.220
   81    HG3  GLN  11           1HG      GLN  11  -6.294  -8.019  -0.487
   82   HE21  GLN  11          1HE2      GLN  11  -6.204 -10.542  -0.753
   83   HE22  GLN  11          2HE2      GLN  11  -7.133 -11.470   0.407
   84    H    VAL  12           H        VAL  12  -4.026  -4.828  -0.491
   85    HA   VAL  12           HA       VAL  12  -4.502  -5.410  -3.328
   86    HB   VAL  12           HB       VAL  12  -5.720  -3.225  -1.559
   87   HG11  VAL  12          1HG1      VAL  12  -6.080  -3.887  -4.565
   88   HG12  VAL  12          2HG1      VAL  12  -5.376  -2.375  -3.875
   89   HG13  VAL  12          3HG1      VAL  12  -7.115  -2.746  -3.625
   90   HG21  VAL  12          3HG2      VAL  12  -7.867  -4.478  -2.049
   91   HG22  VAL  12          1HG2      VAL  12  -6.712  -5.453  -1.079
   92   HG23  VAL  12          2HG2      VAL  12  -6.908  -5.778  -2.843
   93    H    LYS  13           H        LYS  13  -2.915  -3.471  -0.835
   94    HA   LYS  13           HA       LYS  13  -1.990  -1.521  -2.701
   95    HB2  LYS  13           2HB      LYS  13  -1.066  -0.347  -0.837
   96    HB3  LYS  13           1HB      LYS  13  -2.670  -1.021  -0.310
   97    HG2  LYS  13           2HG      LYS  13  -1.467  -1.513   1.559
   98    HG3  LYS  13           1HG      LYS  13  -1.124  -2.997   0.605
   99    HD2  LYS  13           2HD      LYS  13   0.937  -1.764  -0.287
  100    HD3  LYS  13           1HD      LYS  13   0.632  -0.493   0.931
  101    HE2  LYS  13           2HE      LYS  13   0.888  -2.205   2.788
  102    HE3  LYS  13           1HE      LYS  13   1.166  -3.495   1.546
  103    HZ1  LYS  13           3HZ      LYS  13   3.110  -2.294   0.811
  104    HZ2  LYS  13           1HZ      LYS  13   3.210  -2.670   2.464
  105    HZ3  LYS  13           2HZ      LYS  13   2.852  -1.083   1.972
  106    H    VAL  14           H        VAL  14  -0.820  -4.361  -1.504
  107    HA   VAL  14           HA       VAL  14   1.885  -3.962  -2.002
  108    HB   VAL  14           HB       VAL  14   0.841  -5.739  -0.670
  109   HG11  VAL  14          1HG1      VAL  14  -0.283  -7.707  -1.527
  110   HG12  VAL  14          2HG1      VAL  14  -0.128  -7.126  -3.217
  111   HG13  VAL  14          3HG1      VAL  14  -1.174  -6.234  -2.044
  112   HG21  VAL  14          3HG2      VAL  14   2.333  -7.637  -1.408
  113   HG22  VAL  14          1HG2      VAL  14   3.175  -6.057  -1.680
  114   HG23  VAL  14          2HG2      VAL  14   2.390  -6.920  -3.065
  115    H    PHE  15           H        PHE  15  -0.756  -4.754  -3.809
  116    HA   PHE  15           HA       PHE  15   0.599  -5.530  -6.296
  117    HB2  PHE  15           2HB      PHE  15  -2.410  -5.105  -5.763
  118    HB3  PHE  15           1HB      PHE  15  -1.737  -5.523  -7.383
  119    HD1  PHE  15           1HD      PHE  15  -0.141  -7.572  -7.505
  120    HD2  PHE  15           2HD      PHE  15  -2.958  -6.892  -4.342
  121    HE1  PHE  15           1HE      PHE  15  -0.116  -9.985  -6.970
  122    HE2  PHE  15           2HE      PHE  15  -2.921  -9.314  -3.790
  123    HZ   PHE  15           HZ       PHE  15  -1.493 -10.859  -5.101
  124    H    ASN  16           H        ASN  16  -0.714  -2.604  -4.865
  125    HA   ASN  16           HA       ASN  16  -0.796  -1.110  -7.274
  126    HB2  ASN  16           2HB      ASN  16  -2.091  -0.506  -5.164
  127    HB3  ASN  16           1HB      ASN  16  -0.536  -0.111  -4.362
  128   HD21  ASN  16          1HD2      ASN  16  -2.399   0.643  -7.401
  129   HD22  ASN  16          2HD2      ASN  16  -1.981   2.345  -7.448
  130    H    HIS  17           H        HIS  17   1.621  -1.496  -4.524
  131    HA   HIS  17           HA       HIS  17   3.424   0.129  -5.639
  132    HB2  HIS  17           2HB      HIS  17   3.826  -2.078  -3.572
  133    HB3  HIS  17           1HB      HIS  17   5.034  -0.798  -3.954
  134    HD1  HIS  17           1HD      HIS  17   3.294   1.747  -3.936
  135    HD2  HIS  17           2HD      HIS  17   2.971  -1.318  -1.095
  136    HE1  HIS  17           1HE      HIS  17   2.299   2.746  -1.804
  137    H    GLY  18           H        GLY  18   5.691  -0.496  -6.256
  138    HA2  GLY  18           2HA      GLY  18   5.864  -3.095  -7.635
  139    HA3  GLY  18           1HA      GLY  18   6.568  -1.530  -8.209
  140    H    GLU  19           H        GLU  19   6.886  -1.089  -5.055
  141    HA   GLU  19           HA       GLU  19   9.502  -2.382  -4.908
  142    HB2  GLU  19           2HB      GLU  19  10.019  -0.578  -3.191
  143    HB3  GLU  19           1HB      GLU  19   9.680   0.064  -4.829
  144    HG2  GLU  19           2HG      GLU  19   7.347   0.667  -4.182
  145    HG3  GLU  19           1HG      GLU  19   7.614   0.012  -2.525
  146    H    HIS  20           H        HIS  20   7.487  -3.948  -4.586
  147    HA   HIS  20           HA       HIS  20   7.897  -5.025  -1.995
  148    HB2  HIS  20           2HB      HIS  20   5.080  -3.994  -2.743
  149    HB3  HIS  20           1HB      HIS  20   5.332  -5.324  -1.558
  150    HD1  HIS  20           1HD      HIS  20   6.654  -4.686   0.687
  151    HD2  HIS  20           2HD      HIS  20   5.485  -1.402  -1.641
  152    HE1  HIS  20           1HE      HIS  20   6.801  -2.586   2.135
  153    H    ILE  21           H        ILE  21   7.498  -7.297  -2.129
  154    HA   ILE  21           HA       ILE  21   7.039  -8.262  -4.794
  155    HB   ILE  21           HB       ILE  21   7.488 -10.487  -3.683
  156   HG12  ILE  21          2HG1      ILE  21   8.387  -8.727  -1.313
  157   HG13  ILE  21          1HG1      ILE  21   6.914  -9.757  -1.327
  158   HG21  ILE  21          1HG2      ILE  21   9.102  -9.154  -5.043
  159   HG22  ILE  21          2HG2      ILE  21   9.933 -10.068  -3.738
  160   HG23  ILE  21          3HG2      ILE  21   9.658  -8.295  -3.555
  161   HD11  ILE  21          3HD1      ILE  21   8.742 -10.927  -0.164
  162   HD12  ILE  21          1HD1      ILE  21   9.822 -10.763  -1.595
  163   HD13  ILE  21          2HD1      ILE  21   8.345 -11.795  -1.693
  164    H    HIS  22           H        HIS  22   5.431  -9.772  -5.309
  165    HA   HIS  22           HA       HIS  22   2.946  -9.285  -3.888
  166    HB2  HIS  22           2HB      HIS  22   3.555 -10.694  -6.551
  167    HB3  HIS  22           1HB      HIS  22   1.907 -10.380  -5.895
  168    HD1  HIS  22           1HD      HIS  22   2.384  -9.196  -8.586
  169    HD2  HIS  22           2HD      HIS  22   3.476  -7.090  -5.122
  170    HE1  HIS  22           1HE      HIS  22   2.522  -6.712  -9.166
  171    H    HIS  23           H        HIS  23   5.233 -11.811  -4.791
  172    HA   HIS  23           HA       HIS  23   3.697 -13.966  -3.696
  173    HB2  HIS  23           2HB      HIS  23   5.795 -15.311  -4.172
  174    HB3  HIS  23           1HB      HIS  23   5.139 -14.433  -5.590
  175    HD1  HIS  23           1HD      HIS  23   7.995 -13.978  -3.028
  176    HD2  HIS  23           2HD      HIS  23   6.854 -12.706  -6.858
  177    HE1  HIS  23           1HE      HIS  23   9.923 -12.628  -4.024
  Start of MODEL   19
    1    H1   PHE   1           1HT      PHE   1 -23.749   2.541   7.552
    2    H2   PHE   1           2HT      PHE   1 -23.908   0.972   8.186
    3    H3   PHE   1           3HT      PHE   1 -24.753   1.408   6.779
    4    HA   PHE   1           HA       PHE   1 -22.735   1.671   5.577
    5    HB2  PHE   1           2HB      PHE   1 -21.419   0.827   8.254
    6    HB3  PHE   1           1HB      PHE   1 -20.541   0.750   6.685
    7    HD1  PHE   1           2HD      PHE   1 -20.011   2.759   5.401
    8    HD2  PHE   1           1HD      PHE   1 -21.859   3.012   9.277
    9    HE1  PHE   1           2HE      PHE   1 -19.389   5.149   5.544
   10    HE2  PHE   1           1HE      PHE   1 -21.232   5.401   9.416
   11    HZ   PHE   1           HZ       PHE   1 -19.998   6.475   7.551
   12    H    GLU   2           H        GLU   2 -21.394  -0.158   4.693
   13    HA   GLU   2           HA       GLU   2 -22.899  -2.640   4.787
   14    HB2  GLU   2           2HB      GLU   2 -20.483  -1.771   3.082
   15    HB3  GLU   2           1HB      GLU   2 -21.417  -3.293   2.871
   16    HG2  GLU   2           2HG      GLU   2 -22.474  -0.413   2.462
   17    HG3  GLU   2           1HG      GLU   2 -22.034  -1.585   1.170
   18    H    ASP   3           H        ASP   3 -20.074  -1.097   6.041
   19    HA   ASP   3           HA       ASP   3 -18.539  -1.603   7.414
   20    HB2  ASP   3           2HB      ASP   3 -19.457  -4.519   7.588
   21    HB3  ASP   3           1HB      ASP   3 -18.214  -3.722   8.621
   22    H    LEU   4           H        LEU   4 -16.751  -1.214   6.374
   23    HA   LEU   4           HA       LEU   4 -16.106  -2.822   4.056
   24    HB2  LEU   4           2HB      LEU   4 -14.897  -0.182   5.081
   25    HB3  LEU   4           1HB      LEU   4 -14.592  -0.917   3.471
   26    HG   LEU   4           HG       LEU   4 -17.297   0.142   4.506
   27   HD11  LEU   4          1HD1      LEU   4 -15.374   1.368   2.437
   28   HD12  LEU   4          2HD1      LEU   4 -15.651   1.959   4.119
   29   HD13  LEU   4          3HD1      LEU   4 -16.993   2.008   2.917
   30   HD21  LEU   4          3HD2      LEU   4 -16.550  -0.912   1.702
   31   HD22  LEU   4          1HD2      LEU   4 -18.098  -0.100   2.149
   32   HD23  LEU   4          2HD2      LEU   4 -17.680  -1.691   2.874
   33    HA   PRO   5           HA       PRO   5 -12.964  -4.844   6.179
   34    HB2  PRO   5           2HB      PRO   5 -11.144  -4.730   3.742
   35    HB3  PRO   5           1HB      PRO   5 -11.857  -6.185   4.548
   36    HG2  PRO   5           2HG      PRO   5 -12.830  -5.332   2.142
   37    HG3  PRO   5           1HG      PRO   5 -14.010  -5.783   3.454
   38    HD2  PRO   5           2HD      PRO   5 -12.909  -2.976   2.885
   39    HD3  PRO   5           1HD      PRO   5 -14.658  -3.519   2.861
   40    H    ASN   6           H        ASN   6 -10.477  -5.033   6.468
   41    HA   ASN   6           HA       ASN   6  -9.278  -2.352   6.795
   42    HB2  ASN   6           2HB      ASN   6  -9.061  -4.792   8.699
   43    HB3  ASN   6           1HB      ASN   6  -8.122  -3.260   8.858
   44   HD21  ASN   6          1HD2      ASN   6 -10.944  -4.876   9.859
   45   HD22  ASN   6          2HD2      ASN   6 -11.859  -3.500  10.440
   46    H    PHE   7           H        PHE   7  -8.664  -5.905   6.780
   47    HA   PHE   7           HA       PHE   7  -6.013  -5.518   5.745
   48    HB2  PHE   7           2HB      PHE   7  -7.606  -8.088   6.352
   49    HB3  PHE   7           1HB      PHE   7  -5.845  -8.017   5.936
   50    HD1  PHE   7           1HD      PHE   7  -4.374  -6.428   7.405
   51    HD2  PHE   7           2HD      PHE   7  -8.222  -7.912   8.622
   52    HE1  PHE   7           1HE      PHE   7  -3.810  -5.960   9.766
   53    HE2  PHE   7           2HE      PHE   7  -7.654  -7.443  10.983
   54    HZ   PHE   7           HZ       PHE   7  -5.448  -6.465  11.560
   55    H    GLY   8           H        GLY   8  -9.033  -5.458   4.321
   56    HA2  GLY   8           2HA      GLY   8  -8.321  -6.901   1.914
   57    HA3  GLY   8           1HA      GLY   8  -9.834  -6.020   2.323
   58    H    HIS   9           H        HIS   9  -7.203  -4.061   3.173
   59    HA   HIS   9           HA       HIS   9  -7.227  -2.627   0.622
   60    HB2  HIS   9           2HB      HIS   9  -7.998  -1.205   2.487
   61    HB3  HIS   9           1HB      HIS   9  -6.680  -1.824   3.534
   62    HD1  HIS   9           1HD      HIS   9  -7.018   0.426   0.397
   63    HD2  HIS   9           2HD      HIS   9  -4.312  -0.575   3.430
   64    HE1  HIS   9           1HE      HIS   9  -4.997   1.979   0.184
   65    H    ILE  10           H        ILE  10  -5.399  -4.355   3.090
   66    HA   ILE  10           HA       ILE  10  -2.843  -3.430   2.275
   67    HB   ILE  10           HB       ILE  10  -3.850  -5.560   4.206
   68   HG12  ILE  10          2HG1      ILE  10  -2.307  -4.145   5.734
   69   HG13  ILE  10          1HG1      ILE  10  -2.223  -2.959   4.384
   70   HG21  ILE  10          1HG2      ILE  10  -1.851  -6.641   3.220
   71   HG22  ILE  10          2HG2      ILE  10  -1.444  -6.006   4.842
   72   HG23  ILE  10          3HG2      ILE  10  -0.905  -5.107   3.377
   73   HD11  ILE  10          3HD1      ILE  10  -3.871  -2.289   6.141
   74   HD12  ILE  10          1HD1      ILE  10  -4.765  -3.830   5.914
   75   HD13  ILE  10          2HD1      ILE  10  -4.722  -2.602   4.592
   76    H    GLN  11           H        GLN  11  -4.841  -6.257   1.652
   77    HA   GLN  11           HA       GLN  11  -2.814  -7.554   0.094
   78    HB2  GLN  11           2HB      GLN  11  -4.436  -9.293  -0.400
   79    HB3  GLN  11           1HB      GLN  11  -4.404  -8.867   1.329
   80    HG2  GLN  11           2HG      GLN  11  -6.680  -9.077   1.013
   81    HG3  GLN  11           1HG      GLN  11  -6.451  -7.301   0.843
   82   HE21  GLN  11          1HE2      GLN  11  -6.091 -10.189  -1.375
   83   HE22  GLN  11          2HE2      GLN  11  -7.121  -9.557  -2.644
   84    H    VAL  12           H        VAL  12  -4.403  -4.771  -0.634
   85    HA   VAL  12           HA       VAL  12  -4.546  -5.348  -3.505
   86    HB   VAL  12           HB       VAL  12  -5.549  -2.893  -1.972
   87   HG11  VAL  12          1HG1      VAL  12  -4.955  -2.341  -4.329
   88   HG12  VAL  12          2HG1      VAL  12  -6.741  -2.436  -4.172
   89   HG13  VAL  12          3HG1      VAL  12  -5.831  -3.802  -4.921
   90   HG21  VAL  12          3HG2      VAL  12  -7.067  -5.333  -3.108
   91   HG22  VAL  12          1HG2      VAL  12  -7.828  -3.837  -2.448
   92   HG23  VAL  12          2HG2      VAL  12  -6.872  -4.905  -1.365
   93    H    LYS  13           H        LYS  13  -3.031  -3.433  -0.942
   94    HA   LYS  13           HA       LYS  13  -1.930  -1.561  -2.750
   95    HB2  LYS  13           2HB      LYS  13  -1.106  -0.370  -0.884
   96    HB3  LYS  13           1HB      LYS  13  -2.749  -1.029  -0.458
   97    HG2  LYS  13           2HG      LYS  13  -1.661  -1.432   1.506
   98    HG3  LYS  13           1HG      LYS  13  -1.309  -2.971   0.648
   99    HD2  LYS  13           2HD      LYS  13   0.863  -1.929  -0.133
  100    HD3  LYS  13           1HD      LYS  13   0.506  -0.499   0.875
  101    HE2  LYS  13           2HE      LYS  13   0.522  -1.942   2.957
  102    HE3  LYS  13           1HE      LYS  13   0.838  -3.406   1.938
  103    HZ1  LYS  13           3HZ      LYS  13   2.607  -1.031   2.191
  104    HZ2  LYS  13           1HZ      LYS  13   2.899  -2.399   1.228
  105    HZ3  LYS  13           2HZ      LYS  13   2.835  -2.549   2.918
  106    H    VAL  14           H        VAL  14  -0.754  -4.388  -1.510
  107    HA   VAL  14           HA       VAL  14   1.971  -3.906  -1.893
  108    HB   VAL  14           HB       VAL  14   2.074  -6.459  -1.990
  109   HG11  VAL  14          1HG1      VAL  14   0.324  -5.129   0.149
  110   HG12  VAL  14          2HG1      VAL  14   2.127  -5.052   0.113
  111   HG13  VAL  14          3HG1      VAL  14   1.287  -6.636   0.416
  112   HG21  VAL  14          3HG2      VAL  14   0.008  -7.756  -1.434
  113   HG22  VAL  14          1HG2      VAL  14  -0.079  -7.035  -3.069
  114   HG23  VAL  14          2HG2      VAL  14  -1.007  -6.304  -1.705
  115    H    PHE  15           H        PHE  15  -0.563  -4.752  -3.756
  116    HA   PHE  15           HA       PHE  15   0.934  -5.515  -6.195
  117    HB2  PHE  15           2HB      PHE  15  -2.124  -5.233  -5.864
  118    HB3  PHE  15           1HB      PHE  15  -1.294  -5.753  -7.378
  119    HD1  PHE  15           2HD      PHE  15   0.577  -7.687  -6.943
  120    HD2  PHE  15           1HD      PHE  15  -2.950  -6.987  -4.593
  121    HE1  PHE  15           2HE      PHE  15   0.616 -10.037  -6.190
  122    HE2  PHE  15           1HE      PHE  15  -2.908  -9.349  -3.836
  123    HZ   PHE  15           HZ       PHE  15  -1.122 -10.873  -4.628
  124    H    ASN  16           H        ASN  16  -0.621  -2.680  -4.825
  125    HA   ASN  16           HA       ASN  16  -0.749  -1.195  -7.235
  126    HB2  ASN  16           2HB      ASN  16  -2.138  -0.703  -5.165
  127    HB3  ASN  16           1HB      ASN  16  -0.643  -0.196  -4.314
  128   HD21  ASN  16          1HD2      ASN  16  -0.132   1.961  -4.453
  129   HD22  ASN  16          2HD2      ASN  16  -0.755   3.093  -5.637
  130    H    HIS  17           H        HIS  17   1.622  -1.543  -4.487
  131    HA   HIS  17           HA       HIS  17   3.449   0.166  -5.346
  132    HB2  HIS  17           2HB      HIS  17   3.771  -2.416  -3.740
  133    HB3  HIS  17           1HB      HIS  17   5.055  -1.161  -3.894
  134    HD1  HIS  17           1HD      HIS  17   4.179  -1.725  -1.096
  135    HD2  HIS  17           2HD      HIS  17   2.192   1.132  -3.445
  136    HE1  HIS  17           1HE      HIS  17   3.001  -0.079   0.465
  137    H    GLY  18           H        GLY  18   3.100  -3.316  -5.847
  138    HA2  GLY  18           2HA      GLY  18   3.375  -4.328  -7.897
  139    HA3  GLY  18           1HA      GLY  18   4.715  -3.183  -8.304
  140    H    GLU  19           H        GLU  19   3.822  -6.213  -6.834
  141    HA   GLU  19           HA       GLU  19   6.522  -6.592  -5.752
  142    HB2  GLU  19           2HB      GLU  19   5.560  -8.705  -4.774
  143    HB3  GLU  19           1HB      GLU  19   4.928  -7.176  -4.094
  144    HG2  GLU  19           2HG      GLU  19   2.819  -7.348  -5.310
  145    HG3  GLU  19           1HG      GLU  19   3.391  -8.779  -6.241
  146    H    HIS  20           H        HIS  20   7.029  -6.380  -8.192
  147    HA   HIS  20           HA       HIS  20   6.427  -8.690  -9.780
  148    HB2  HIS  20           2HB      HIS  20   6.601  -6.408 -10.780
  149    HB3  HIS  20           1HB      HIS  20   8.324  -6.325 -10.313
  150    HD1  HIS  20           1HD      HIS  20   9.877  -8.268 -11.626
  151    HD2  HIS  20           2HD      HIS  20   6.044  -7.583 -13.191
  152    HE1  HIS  20           1HE      HIS  20   9.801  -9.231 -13.991
  153    H    ILE  21           H        ILE  21   9.470  -7.103  -8.824
  154    HA   ILE  21           HA       ILE  21  10.876  -9.610  -8.696
  155    HB   ILE  21           HB       ILE  21  12.788  -8.103  -8.015
  156   HG12  ILE  21          2HG1      ILE  21  10.858  -5.832  -8.808
  157   HG13  ILE  21          1HG1      ILE  21  11.349  -6.214  -7.122
  158   HG21  ILE  21          1HG2      ILE  21  12.368  -8.995 -10.314
  159   HG22  ILE  21          2HG2      ILE  21  13.163  -7.382 -10.347
  160   HG23  ILE  21          3HG2      ILE  21  11.402  -7.522 -10.708
  161   HD11  ILE  21          3HD1      ILE  21  13.755  -5.791  -7.729
  162   HD12  ILE  21          1HD1      ILE  21  12.704  -4.349  -7.984
  163   HD13  ILE  21          2HD1      ILE  21  13.241  -5.328  -9.396
  164    H    HIS  22           H        HIS  22  12.107 -10.175  -6.761
  165    HA   HIS  22           HA       HIS  22  11.067  -9.094  -4.251
  166    HB2  HIS  22           2HB      HIS  22  11.258 -12.105  -4.918
  167    HB3  HIS  22           1HB      HIS  22  10.936 -11.405  -3.288
  168    HD1  HIS  22           1HD      HIS  22   9.242 -11.712  -6.731
  169    HD2  HIS  22           2HD      HIS  22   8.299 -10.687  -2.774
  170    HE1  HIS  22           1HE      HIS  22   6.707 -11.459  -6.561
  171    H    HIS  23           H        HIS  23  13.190  -8.073  -5.164
  172    HA   HIS  23           HA       HIS  23  15.296  -7.761  -5.157
  173    HB2  HIS  23           2HB      HIS  23  16.580  -8.151  -3.044
  174    HB3  HIS  23           1HB      HIS  23  15.007  -7.318  -2.869
  175    HD1  HIS  23           1HD      HIS  23  16.502 -10.791  -2.148
  176    HD2  HIS  23           2HD      HIS  23  13.154  -8.451  -1.197
  177    HE1  HIS  23           1HE      HIS  23  15.197 -11.983  -0.302
  Start of MODEL   20
    1    H1   PHE   1           1HT      PHE   1 -17.370   3.611  -0.740
    2    H2   PHE   1           2HT      PHE   1 -17.492   4.232   0.837
    3    H3   PHE   1           3HT      PHE   1 -18.610   3.074   0.290
    4    HA   PHE   1           HA       PHE   1 -15.737   2.679   0.643
    5    HB2  PHE   1           2HB      PHE   1 -17.260   2.893   2.792
    6    HB3  PHE   1           1HB      PHE   1 -18.016   1.342   2.269
    7    HD1  PHE   1           1HD      PHE   1 -14.374   2.520   2.351
    8    HD2  PHE   1           2HD      PHE   1 -17.353  -0.216   3.820
    9    HE1  PHE   1           1HE      PHE   1 -12.647   1.321   3.630
   10    HE2  PHE   1           2HE      PHE   1 -15.615  -1.413   5.101
   11    HZ   PHE   1           HZ       PHE   1 -13.256  -0.652   5.007
   12    H    GLU   2           H        GLU   2 -18.887   1.305  -0.208
   13    HA   GLU   2           HA       GLU   2 -19.589  -0.246  -1.401
   14    HB2  GLU   2           2HB      GLU   2 -17.322   0.359  -2.808
   15    HB3  GLU   2           1HB      GLU   2 -17.095  -1.404  -2.553
   16    HG2  GLU   2           2HG      GLU   2 -19.449  -1.760  -3.496
   17    HG3  GLU   2           1HG      GLU   2 -19.605   0.033  -3.641
   18    H    ASP   3           H        ASP   3 -17.672  -0.739   1.159
   19    HA   ASP   3           HA       ASP   3 -17.559  -2.166   2.728
   20    HB2  ASP   3           2HB      ASP   3 -19.552  -4.019   1.345
   21    HB3  ASP   3           1HB      ASP   3 -18.948  -4.138   3.042
   22    H    LEU   4           H        LEU   4 -15.548  -2.676   2.741
   23    HA   LEU   4           HA       LEU   4 -14.847  -5.285   1.743
   24    HB2  LEU   4           2HB      LEU   4 -12.892  -4.796   0.555
   25    HB3  LEU   4           1HB      LEU   4 -14.167  -3.779  -0.171
   26    HG   LEU   4           HG       LEU   4 -12.241  -2.811   1.982
   27   HD11  LEU   4          1HD1      LEU   4 -11.827  -2.626  -1.070
   28   HD12  LEU   4          2HD1      LEU   4 -10.900  -3.665   0.077
   29   HD13  LEU   4          3HD1      LEU   4 -10.775  -1.869   0.185
   30   HD21  LEU   4          3HD2      LEU   4 -12.685  -0.509   1.041
   31   HD22  LEU   4          1HD2      LEU   4 -14.184  -1.283   1.658
   32   HD23  LEU   4          2HD2      LEU   4 -13.864  -1.228  -0.116
   33    HA   PRO   5           HA       PRO   5 -13.138  -5.341   5.640
   34    HB2  PRO   5           2HB      PRO   5 -10.799  -7.042   4.670
   35    HB3  PRO   5           1HB      PRO   5 -12.062  -7.449   5.903
   36    HG2  PRO   5           2HG      PRO   5 -12.187  -8.579   3.426
   37    HG3  PRO   5           1HG      PRO   5 -13.712  -7.866   4.128
   38    HD2  PRO   5           2HD      PRO   5 -11.722  -6.434   2.292
   39    HD3  PRO   5           1HD      PRO   5 -13.501  -6.745   2.001
   40    H    ASN   6           H        ASN   6 -10.972  -5.401   6.922
   41    HA   ASN   6           HA       ASN   6  -9.711  -2.871   6.469
   42    HB2  ASN   6           2HB      ASN   6 -10.387  -3.709   8.781
   43    HB3  ASN   6           1HB      ASN   6  -9.137  -4.990   8.646
   44   HD21  ASN   6          1HD2      ASN   6  -9.498  -1.378   8.271
   45   HD22  ASN   6          2HD2      ASN   6  -7.987  -0.963   9.053
   46    H    PHE   7           H        PHE   7  -8.843  -6.349   6.376
   47    HA   PHE   7           HA       PHE   7  -6.124  -5.868   5.681
   48    HB2  PHE   7           2HB      PHE   7  -6.924  -7.916   6.977
   49    HB3  PHE   7           1HB      PHE   7  -7.778  -8.472   5.493
   50    HD1  PHE   7           1HD      PHE   7  -4.345  -7.202   6.533
   51    HD2  PHE   7           2HD      PHE   7  -6.591 -10.018   4.185
   52    HE1  PHE   7           1HE      PHE   7  -2.239  -8.203   5.717
   53    HE2  PHE   7           2HE      PHE   7  -4.482 -11.021   3.374
   54    HZ   PHE   7           HZ       PHE   7  -2.301 -10.112   4.133
   55    H    GLY   8           H        GLY   8  -9.136  -5.779   3.988
   56    HA2  GLY   8           2HA      GLY   8  -8.147  -6.604   1.432
   57    HA3  GLY   8           1HA      GLY   8  -9.710  -5.825   1.866
   58    H    HIS   9           H        HIS   9  -7.446  -3.903   3.293
   59    HA   HIS   9           HA       HIS   9  -7.243  -2.089   1.006
   60    HB2  HIS   9           2HB      HIS   9  -6.481  -1.621   3.954
   61    HB3  HIS   9           1HB      HIS   9  -6.560  -0.386   2.647
   62    HD1  HIS   9           1HD      HIS   9  -9.398  -0.893   1.509
   63    HD2  HIS   9           2HD      HIS   9  -8.528  -0.978   5.612
   64    HE1  HIS   9           1HE      HIS   9 -11.562  -0.446   2.791
   65    H    ILE  10           H        ILE  10  -5.521  -4.086   3.333
   66    HA   ILE  10           HA       ILE  10  -2.968  -3.005   2.973
   67    HB   ILE  10           HB       ILE  10  -3.820  -5.579   4.294
   68   HG12  ILE  10          2HG1      ILE  10  -3.561  -2.624   5.096
   69   HG13  ILE  10          1HG1      ILE  10  -4.963  -3.730   5.303
   70   HG21  ILE  10          1HG2      ILE  10  -1.176  -3.967   4.409
   71   HG22  ILE  10          2HG2      ILE  10  -1.380  -5.598   3.666
   72   HG23  ILE  10          3HG2      ILE  10  -1.581  -5.403   5.424
   73   HD11  ILE  10          3HD1      ILE  10  -3.930  -3.333   7.475
   74   HD12  ILE  10          1HD1      ILE  10  -2.301  -3.755   6.829
   75   HD13  ILE  10          2HD1      ILE  10  -3.567  -5.041   6.998
   76    H    GLN  11           H        GLN  11  -4.554  -5.983   1.858
   77    HA   GLN  11           HA       GLN  11  -2.198  -7.047   0.715
   78    HB2  GLN  11           2HB      GLN  11  -3.532  -8.936   0.000
   79    HB3  GLN  11           1HB      GLN  11  -3.976  -8.465   1.673
   80    HG2  GLN  11           2HG      GLN  11  -6.000  -7.208   0.706
   81    HG3  GLN  11           1HG      GLN  11  -5.590  -7.898  -0.904
   82   HE21  GLN  11          1HE2      GLN  11  -7.531  -8.393   1.775
   83   HE22  GLN  11          2HE2      GLN  11  -7.764 -10.127   1.665
   84    H    VAL  12           H        VAL  12  -4.686  -4.921  -0.522
   85    HA   VAL  12           HA       VAL  12  -4.361  -5.634  -3.267
   86    HB   VAL  12           HB       VAL  12  -5.829  -3.372  -1.826
   87   HG11  VAL  12          1HG1      VAL  12  -7.059  -3.080  -4.029
   88   HG12  VAL  12          2HG1      VAL  12  -5.861  -4.171  -4.819
   89   HG13  VAL  12          3HG1      VAL  12  -5.336  -2.585  -4.125
   90   HG21  VAL  12          3HG2      VAL  12  -6.711  -5.656  -1.342
   91   HG22  VAL  12          1HG2      VAL  12  -6.741  -6.042  -3.103
   92   HG23  VAL  12          2HG2      VAL  12  -7.840  -4.781  -2.432
   93    H    LYS  13           H        LYS  13  -2.827  -3.444  -0.971
   94    HA   LYS  13           HA       LYS  13  -1.996  -1.581  -2.904
   95    HB2  LYS  13           2HB      LYS  13  -2.748  -0.933  -0.610
   96    HB3  LYS  13           1HB      LYS  13  -1.745  -2.242   0.099
   97    HG2  LYS  13           2HG      LYS  13  -0.838  -0.131   0.671
   98    HG3  LYS  13           1HG      LYS  13   0.282  -1.105  -0.354
   99    HD2  LYS  13           2HD      LYS  13  -0.077   0.339  -2.269
  100    HD3  LYS  13           1HD      LYS  13  -1.600   0.994  -1.587
  101    HE2  LYS  13           2HE      LYS  13   0.181   2.733  -1.541
  102    HE3  LYS  13           1HE      LYS  13  -0.343   2.294   0.135
  103    HZ1  LYS  13           3HZ      LYS  13   2.028   2.481  -0.056
  104    HZ2  LYS  13           1HZ      LYS  13   2.078   1.286  -1.263
  105    HZ3  LYS  13           2HZ      LYS  13   1.587   0.882   0.311
  106    H    VAL  14           H        VAL  14  -0.824  -4.420  -1.506
  107    HA   VAL  14           HA       VAL  14   1.921  -4.276  -2.022
  108    HB   VAL  14           HB       VAL  14  -0.018  -6.670  -2.328
  109   HG11  VAL  14          1HG1      VAL  14   2.114  -7.208  -3.345
  110   HG12  VAL  14          2HG1      VAL  14   2.027  -8.051  -1.760
  111   HG13  VAL  14          3HG1      VAL  14   3.041  -6.561  -1.928
  112   HG21  VAL  14          3HG2      VAL  14  -0.356  -5.663  -0.180
  113   HG22  VAL  14          1HG2      VAL  14   1.421  -5.544   0.149
  114   HG23  VAL  14          2HG2      VAL  14   0.606  -7.159   0.068
  115    H    PHE  15           H        PHE  15  -0.881  -4.861  -3.912
  116    HA   PHE  15           HA       PHE  15   0.599  -5.698  -6.301
  117    HB2  PHE  15           2HB      PHE  15  -2.417  -5.371  -5.791
  118    HB3  PHE  15           1HB      PHE  15  -1.712  -5.940  -7.361
  119    HD1  PHE  15           1HD      PHE  15   0.205  -7.873  -6.962
  120    HD2  PHE  15           2HD      PHE  15  -3.172  -7.083  -4.424
  121    HE1  PHE  15           1HE      PHE  15   0.326 -10.176  -6.082
  122    HE2  PHE  15           2HE      PHE  15  -3.054  -9.393  -3.549
  123    HZ   PHE  15           HZ       PHE  15  -1.300 -10.944  -4.372
  124    H    ASN  16           H        ASN  16  -0.470  -2.773  -4.862
  125    HA   ASN  16           HA       ASN  16  -0.682  -1.303  -7.318
  126    HB2  ASN  16           2HB      ASN  16  -1.957  -0.683  -5.205
  127    HB3  ASN  16           1HB      ASN  16  -0.393  -0.277  -4.427
  128   HD21  ASN  16          1HD2      ASN  16   0.176   1.854  -4.554
  129   HD22  ASN  16          2HD2      ASN  16  -0.374   3.003  -5.757
  130    H    HIS  17           H        HIS  17   1.842  -2.214  -4.883
  131    HA   HIS  17           HA       HIS  17   3.701  -0.452  -5.488
  132    HB2  HIS  17           2HB      HIS  17   4.132  -3.383  -4.733
  133    HB3  HIS  17           1HB      HIS  17   5.390  -2.105  -4.620
  134    HD1  HIS  17           1HD      HIS  17   4.631  -3.692  -2.141
  135    HD2  HIS  17           2HD      HIS  17   2.894   0.002  -3.114
  136    HE1  HIS  17           1HE      HIS  17   3.790  -2.615   0.017
  137    H    GLY  18           H        GLY  18   5.921  -0.959  -6.521
  138    HA2  GLY  18           2HA      GLY  18   5.579  -2.195  -9.161
  139    HA3  GLY  18           1HA      GLY  18   6.800  -0.966  -8.627
  140    H    GLU  19           H        GLU  19   5.572  -4.216  -7.820
  141    HA   GLU  19           HA       GLU  19   8.139  -5.010  -6.719
  142    HB2  GLU  19           2HB      GLU  19   6.828  -7.066  -5.983
  143    HB3  GLU  19           1HB      GLU  19   6.316  -5.507  -5.262
  144    HG2  GLU  19           2HG      GLU  19   4.368  -5.330  -6.762
  145    HG3  GLU  19           1HG      GLU  19   4.865  -6.815  -7.652
  146    H    HIS  20           H        HIS  20   8.802  -4.669  -9.116
  147    HA   HIS  20           HA       HIS  20   8.250  -7.001 -10.775
  148    HB2  HIS  20           2HB      HIS  20   9.960  -4.507 -11.341
  149    HB3  HIS  20           1HB      HIS  20   9.588  -5.823 -12.512
  150    HD1  HIS  20           1HD      HIS  20   7.764  -3.027 -10.594
  151    HD2  HIS  20           2HD      HIS  20   7.179  -5.595 -13.860
  152    HE1  HIS  20           1HE      HIS  20   5.624  -2.314 -11.792
  153    H    ILE  21           H        ILE  21  10.220  -8.056 -11.844
  154    HA   ILE  21           HA       ILE  21  12.127  -8.721  -9.801
  155    HB   ILE  21           HB       ILE  21  12.811 -10.450 -11.483
  156   HG12  ILE  21          2HG1      ILE  21  10.354  -9.478 -13.075
  157   HG13  ILE  21          1HG1      ILE  21  12.056  -9.133 -13.533
  158   HG21  ILE  21          1HG2      ILE  21  10.824 -11.850 -11.049
  159   HG22  ILE  21          2HG2      ILE  21   9.825 -10.389 -10.709
  160   HG23  ILE  21          3HG2      ILE  21  11.191 -10.830  -9.616
  161   HD11  ILE  21          3HD1      ILE  21  11.227 -11.051 -14.827
  162   HD12  ILE  21          1HD1      ILE  21  10.780 -11.936 -13.322
  163   HD13  ILE  21          2HD1      ILE  21  12.516 -11.603 -13.693
  164    H    HIS  22           H        HIS  22  14.422  -9.172 -10.751
  165    HA   HIS  22           HA       HIS  22  15.414  -6.683 -11.824
  166    HB2  HIS  22           2HB      HIS  22  17.676  -7.707 -11.389
  167    HB3  HIS  22           1HB      HIS  22  16.626  -7.608  -9.942
  168    HD1  HIS  22           1HD      HIS  22  18.163 -10.215 -12.250
  169    HD2  HIS  22           2HD      HIS  22  15.750 -10.044  -8.822
  170    HE1  HIS  22           1HE      HIS  22  18.015 -12.567 -11.265
  171    H    HIS  23           H        HIS  23  14.859 -10.034 -12.742
  172    HA   HIS  23           HA       HIS  23  14.881 -11.131 -14.582
  173    HB2  HIS  23           2HB      HIS  23  13.414  -9.270 -15.395
  174    HB3  HIS  23           1HB      HIS  23  14.855  -8.484 -16.115
  175    HD1  HIS  23           1HD      HIS  23  13.152 -11.966 -16.317
  176    HD2  HIS  23           2HD      HIS  23  15.176  -9.220 -18.760
  177    HE1  HIS  23           1HE      HIS  23  13.167 -12.884 -18.703