*HEADER    AIDS                                    07-MAY-98   1BDE      
*TITLE     HELICAL STRUCTURE OF POLYPEPTIDES FROM THE C-TERMINAL HALF    
*TITLE    2 OF HIV-1 VPR, NMR, 20 STRUCTURES                             
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: VPR PROTEIN;                                       
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: VPR 50-82;                                         
*COMPND   5 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;    
*SOURCE   4 ORGANISM_COMMON: HIV-1;                                      
*SOURCE   5 OTHER_DETAILS: RESIDUES 50 - 82 FROM HIV VPR                 
*KEYWDS    AIDS, HIV, VIRAL PROTEIN, VPR FRAGMENT, HELIX                 
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    S.YAO,A.A.AZAD,I.G.MACREADIE,R.S.NORTON                       
*REVDAT   1   12-OCT-04 1BDE    0   

!50A ACE
assign (resid 50A and name  HA#) (resid 50 and name   HN) 0 -1.78 4.00
!50 TYR
assign (resid 50 and name   HN) (resid 51 and name   HN) 0.00 0  3.80
assign (resid 50 and name   HA) (resid 51 and name   HN) 0.00 0  3.40
assign (resid 50 and name  HB2) (resid 51 and name   HN) 0.00 0  4.90
assign (resid 50 and name  HB1) (resid 51 and name   HN) 0.00 0  4.90
!51 GLY
assign (resid 51 and name  HA#) (resid 55 and name   HN) 0.00 0  4.50
!52 ASP
assign (resid 52 and name   HN) (resid 53 and name   HN) 0.00 0  3.60
assign (resid 52 and name   HN) (resid 53 and name HG2#) 0.00 0  8.50
assign (resid 52 and name   HA) (resid 55 and name   HN) 0.00 0  5.00
!53 THR
assign (resid 53 and name   HN) (resid 53 and name   HB) 0.00 0  3.90
assign (resid 53 and name   HA) (resid 56 and name   HN) 0.00 0  4.20
assign (resid 53 and name   HA) (resid 57 and name   HN) 0.00 0  4.70
assign (resid 53 and name   HB) (resid 54 and name   HN) 0.00 0  5.30
assign (resid 53 and name HG2#) (resid 54 and name  HE3) 0.00 0  8.70
assign (resid 53 and name HG2#) (resid 55 and name   HN) 0.00 0  9.00
!54 TRP
assign (resid 54 and name   HN) (resid 54 and name  HB2) 0.00 0  3.90
assign (resid 54 and name   HN) (resid 54 and name  HB1) 0.00 0  3.90
assign (resid 54 and name   HN) (resid 54 and name  HD1) 0.00 0  4.50
assign (resid 54 and name   HN) (resid 55 and name   HN) 0.00 0  3.40
assign (resid 54 and name   HN) (resid 55 and name  HB#) 0.00 0  5.90
assign (resid 54 and name   HN) (resid 56 and name   HN) 0.00 0  3.80
assign (resid 54 and name   HN) (resid 57 and name   HN) 0.00 0  4.50
assign (resid 54 and name   HN) (resid 57 and name  HG#) 0.00 0  8.50
assign (resid 54 and name   HA) (resid 54 and name  HD1) 0.00 0  5.00
assign (resid 54 and name   HA) (resid 54 and name  HE3) 0.00 0  3.90
assign (resid 54 and name   HA) (resid 57 and name   HN) 0.00 0  3.90
assign (resid 54 and name   HA) (resid 57 and name   HB) 0.00 0  3.60
assign (resid 54 and name  HB2) (resid 55 and name   HN) 0.00 0  5.30
assign (resid 54 and name  HB1) (resid 55 and name   HN) 0.00 0  5.30
assign (resid 54 and name  HB#) (resid 55 and name   HA) 0.00 0  4.90
assign (resid 54 and name  HB#) (resid 55 and name  HB#) 0.00 0  9.00
assign (resid 54 and name  HB#) (resid 57 and name  HG#) 0.00 0  9.70
assign (resid 54 and name  HD1) (resid 55 and name   HN) 0.00 0  5.50
assign (resid 54 and name  HD1) (resid 58 and name  HB#) 0.00 0  8.40
assign (resid 54 and name  HD1) (resid 58 and name  HG#) 0.00 0  8.90
assign (resid 54 and name  HE3) (resid 55 and name   HN) 0.00 0  5.90
assign (resid 54 and name  HE3) (resid 55 and name  HB#) 0.00 0  7.00
assign (resid 54 and name  HE3) (resid 57 and name   HN) 0.00 0  5.80
assign (resid 54 and name  HE3) (resid 57 and name  HG#) 0.00 0  6.80
!55 ALA
assign (resid 55 and name   HN) (resid 56 and name   HN) 0.00 0  3.40
assign (resid 55 and name   HN) (resid 57 and name   HN) 0.00 0  4.10
assign (resid 55 and name   HN) (resid 57 and name  HG#) 0.00 0  9.90
assign (resid 55 and name   HN) (resid 58 and name  HB#) 0.00 0  5.80
assign (resid 55 and name   HA) (resid 56 and name   HN) 0.00 0  3.50
assign (resid 55 and name   HA) (resid 57 and name  HG#) 0.00 0  7.90
assign (resid 55 and name   HA) (resid 58 and name   HN) 0.00 0  4.20
assign (resid 55 and name   HA) (resid 59 and name   HN) 0.00 0  4.70
assign (resid 55 and name  HB#) (resid 56 and name  HA#) 0.00 0  7.30
assign (resid 55 and name  HB#) (resid 57 and name   HN) 0.00 0  6.50
assign (resid 55 and name  HB#) (resid 57 and name  HG#) 0.00 0  8.70
assign (resid 55 and name  HB#) (resid 58 and name   HN) 0.00 0  7.70
assign (resid 55 and name  HB#) (resid 58 and name  HB#) 0.00 0  6.30
assign (resid 55 and name  HB#) (resid 59 and name   HN) 0.00 0  8.10
!56 GLY
assign (resid 56 and name   HN) (resid 57 and name   HN) 0.00 0  3.50
assign (resid 56 and name   HN) (resid 57 and name  HG#) 0.00 0  7.80
assign (resid 56 and name   HN) (resid 59 and name  HB#) 0.00 0  6.20
assign (resid 56 and name  HA#) (resid 57 and name  HG#) 0.00 0  8.80
assign (resid 56 and name  HA#) (resid 59 and name  HB#) 0.00 0  5.90
!57 VAL
assign (resid 57 and name   HN) (resid 57 and name   HB) 0.00 0  3.90
assign (resid 57 and name   HN) (resid 57 and name HG1#) 0.00 0  4.90
assign (resid 57 and name   HN) (resid 57 and name HG2#) 0.00 0  4.90
assign (resid 57 and name   HN) (resid 58 and name   HN) 0.00 0  3.40
assign (resid 57 and name   HN) (resid 58 and name  HB#) 0.00 0  5.00
assign (resid 57 and name   HN) (resid 59 and name  HB#) 0.00 0  5.60
assign (resid 57 and name   HA) (resid 59 and name   HN) 0.00 0  3.70
assign (resid 57 and name   HA) (resid 60 and name   HN) 0.00 0  3.40
assign (resid 57 and name   HA) (resid 60 and name   HB) 0.00 0  4.40
assign (resid 57 and name   HA) (resid 61 and name   HN) 0.00 0  3.50
assign (resid 57 and name   HB) (resid 58 and name   HN) 0.00 0  3.90
assign (resid 57 and name HG1#) (resid 58 and name   HN) 0.00 0  5.70
assign (resid 57 and name HG1#) (resid 60 and name HG12) 0.00 0  8.90
assign (resid 57 and name HG1#) (resid 60 and name HG11) 0.00 0  8.90
assign (resid 57 and name HG2#) (resid 58 and name   HN) 0.00 0  5.70
assign (resid 57 and name HG2#) (resid 60 and name HG12) 0.00 0  8.90
assign (resid 57 and name HG2#) (resid 60 and name HG11) 0.00 0  8.90
assign (resid 57 and name  HG#) (resid 58 and name   HN) 0.00 0  5.00
assign (resid 57 and name  HG#) (resid 58 and name  HB#) 0.00 0  8.90
assign (resid 57 and name  HG#) (resid 59 and name   HN) 0.00 0  9.10
assign (resid 57 and name  HG#) (resid 59 and name  HB#) 0.00 0  8.50
assign (resid 57 and name  HG#) (resid 60 and name HG1#) 0.00 0  7.20
!58 GLU
assign (resid 58 and name   HN) (resid 58 and name  HG#) 0.00 0  6.40
assign (resid 58 and name   HN) (resid 59 and name   HN) 0.00 0  3.40
assign (resid 58 and name   HN) (resid 60 and name   HN) 0.00 0  3.90
assign (resid 58 and name   HA) (resid 59 and name   HN) 0.00 0  3.40
assign (resid 58 and name   HA) (resid 61 and name   HN) 0.00 0  3.40
assign (resid 58 and name   HA) (resid 61 and name   HB) 0.00 0  4.20
assign (resid 58 and name  HB2) (resid 59 and name   HN) 0.00 0  4.70
assign (resid 58 and name  HB1) (resid 59 and name   HN) 0.00 0  4.70
assign (resid 58 and name  HB#) (resid 59 and name   HN) 0.00 0  4.20
assign (resid 58 and name  HG#) (resid 59 and name   HN) 0.00 0  7.70
!59 ALA
assign (resid 59 and name   HN) (resid 60 and name   HN) 0.00 0  3.40
assign (resid 59 and name   HN) (resid 60 and name HG12) 0.00 0  6.00
assign (resid 59 and name   HN) (resid 60 and name HG11) 0.00 0  6.00
assign (resid 59 and name   HN) (resid 60 and name HG1#) 0.00 0  5.60
assign (resid 59 and name   HN) (resid 60 and name HD1#) 0.00 0  6.70
assign (resid 59 and name   HN) (resid 61 and name   HN) 0.00 0  4.00
assign (resid 59 and name   HN) (resid 61 and name HG2#) 0.00 0  6.20
assign (resid 59 and name   HA) (resid 60 and name   HN) 0.00 0  3.60
assign (resid 59 and name  HB#) (resid 61 and name   HN) 0.00 0  6.60
assign (resid 59 and name  HB#) (resid 62 and name   HN) 0.00 0  5.40
assign (resid 59 and name  HB#) (resid 63 and name   HN) 0.00 0  6.70
!60 ILE
assign (resid 60 and name   HN) (resid 60 and name   HB) 0.00 0  3.90
assign (resid 60 and name   HN) (resid 60 and name HG2#) 0.00 0  4.90
assign (resid 60 and name   HN) (resid 60 and name HG12) 0.00 0  4.20
assign (resid 60 and name   HN) (resid 60 and name HG11) 0.00 0  4.20
assign (resid 60 and name   HN) (resid 60 and name HG1#) 0.00 0  3.90
assign (resid 60 and name   HN) (resid 60 and name HD1#) 0.00 0  5.00
assign (resid 60 and name   HN) (resid 61 and name   HN) 0.00 0  3.50
assign (resid 60 and name   HN) (resid 61 and name   HA) 0.00 0  4.80
assign (resid 60 and name   HN) (resid 61 and name   HB) 0.00 0  4.20
assign (resid 60 and name   HN) (resid 62 and name   HN) 0.00 0  3.70
assign (resid 60 and name   HA) (resid 60 and name HG12) 0.00 0  3.90
assign (resid 60 and name   HA) (resid 60 and name HG11) 0.00 0  3.90
assign (resid 60 and name   HB) (resid 61 and name   HN) 0.00 0  3.90
assign (resid 60 and name HD1#) (resid 61 and name   HA) 0.00 0  4.90
!61 ILE
assign (resid 61 and name   HN) (resid 61 and name   HB) 0.00 0  3.90
assign (resid 61 and name   HN) (resid 61 and name HG2#) 0.00 0  4.90
assign (resid 61 and name   HN) (resid 61 and name HG12) 0.00 0  4.20
assign (resid 61 and name   HN) (resid 61 and name HG11) 0.00 0  4.20
assign (resid 61 and name   HN) (resid 61 and name HG1#) 0.00 0  3.90
assign (resid 61 and name   HN) (resid 61 and name HD1#) 0.00 0  5.20
assign (resid 61 and name   HN) (resid 62 and name   HN) 0.00 0  3.50
assign (resid 61 and name   HA) (resid 61 and name HG12) 0.00 0  4.00
assign (resid 61 and name   HA) (resid 61 and name HG11) 0.00 0  4.00
assign (resid 61 and name   HA) (resid 61 and name HD1#) 0.00 0  4.90
assign (resid 61 and name   HA) (resid 63 and name   HN) 0.00 0  4.70
assign (resid 61 and name   HA) (resid 64 and name   HN) 0.00 0  3.70
assign (resid 61 and name   HA) (resid 64 and name  HB2) 0.00 0  3.90
assign (resid 61 and name   HA) (resid 64 and name  HB1) 0.00 0  3.90
assign (resid 61 and name   HA) (resid 64 and name   HG) 0.00 0  4.10
assign (resid 61 and name   HA) (resid 65 and name   HN) 0.00 0  4.00
assign (resid 61 and name   HA) (resid 65 and name  HB#) 0.00 0  5.90
assign (resid 61 and name   HB) (resid 65 and name HE2#) 0.00 0  7.40
assign (resid 61 and name HG2#) (resid 65 and name HE2#) 0.00 0  6.20
assign (resid 61 and name HG12) (resid 62 and name   HN) 0.00 0  5.90
assign (resid 61 and name HG11) (resid 62 and name   HN) 0.00 0  5.90
assign (resid 61 and name HG1#) (resid 62 and name   HN) 0.00 0  5.50
assign (resid 61 and name HG1#) (resid 64 and name   HN) 0.00 0  7.60
assign (resid 61 and name HD1#) (resid 62 and name   HN) 0.00 0  6.20
assign (resid 61 and name HD1#) (resid 65 and name HE2#) 0.00 0  9.20
!62 ARG
assign (resid 62 and name   HN) (resid 62 and name  HG#) 0.00 0  6.10
assign (resid 62 and name   HN) (resid 62 and name  HD#) 0.00 0  7.60
assign (resid 62 and name   HN) (resid 63 and name HG1#) 0.00 0  4.80
assign (resid 62 and name   HN) (resid 63 and name HD1#) 0.00 0  5.10
assign (resid 62 and name   HN) (resid 64 and name   HN) 0.00 0  4.00
assign (resid 62 and name   HA) (resid 62 and name  HD#) 0.00 0  5.80
assign (resid 62 and name   HA) (resid 63 and name   HN) 0.00 0  3.40
assign (resid 62 and name   HA) (resid 66 and name   HN) 0.00 0  3.90
assign (resid 62 and name  HB#) (resid 66 and name HE2#) 0.00 0  8.10
assign (resid 62 and name  HG#) (resid 63 and name   HN) 0.00 0  7.50
assign (resid 62 and name  HG#) (resid 65 and name  HB#) 0.00 0  7.90
!63 ILE
assign (resid 63 and name   HN) (resid 63 and name   HB) 0.00 0  3.90
assign (resid 63 and name   HN) (resid 63 and name HG2#) 0.00 0  4.90
assign (resid 63 and name   HN) (resid 63 and name HG12) 0.00 0  4.20
assign (resid 63 and name   HN) (resid 63 and name HG11) 0.00 0  4.20
assign (resid 63 and name   HN) (resid 63 and name HG1#) 0.00 0  3.90
assign (resid 63 and name   HN) (resid 64 and name   HN) 0.00 0  3.40
assign (resid 63 and name   HN) (resid 65 and name   HN) 0.00 0  4.00
assign (resid 63 and name   HN) (resid 66 and name  HB#) 0.00 0  5.80
assign (resid 63 and name   HA) (resid 64 and name   HN) 0.00 0  3.50
assign (resid 63 and name   HA) (resid 66 and name  HB2) 0.00 0  3.90
assign (resid 63 and name   HA) (resid 66 and name  HB1) 0.00 0  3.90
assign (resid 63 and name   HA) (resid 66 and name  HG#) 0.00 0  5.60
assign (resid 63 and name   HA) (resid 66 and name HE2#) 0.00 0  6.30
assign (resid 63 and name   HA) (resid 67 and name   HN) 0.00 0  3.80
assign (resid 63 and name   HB) (resid 64 and name   HN) 0.00 0  3.90
assign (resid 63 and name HG2#) (resid 66 and name HE2#) 0.00 0  8.30
assign (resid 63 and name HG1#) (resid 64 and name   HN) 0.00 0  6.80
assign (resid 63 and name HD1#) (resid 65 and name HE2#) 0.00 0  6.40
!64 LEU
assign (resid 64 and name   HN) (resid 64 and name  HB2) 0.00 0  3.90
assign (resid 64 and name   HN) (resid 64 and name  HB1) 0.00 0  3.90
assign (resid 64 and name   HN) (resid 64 and name   HG) 0.00 0  4.00
assign (resid 64 and name   HN) (resid 64 and name HD1#) 0.00 0  4.90
assign (resid 64 and name   HN) (resid 64 and name HD2#) 0.00 0  4.90
assign (resid 64 and name   HN) (resid 65 and name   HN) 0.00 0  3.40
assign (resid 64 and name   HN) (resid 65 and name  HB#) 0.00 0  5.10
assign (resid 64 and name   HN) (resid 66 and name   HN) 0.00 0  4.10
assign (resid 64 and name   HA) (resid 65 and name  HG#) 0.00 0  6.70
assign (resid 64 and name   HA) (resid 65 and name HE2#) 0.00 0  6.50
assign (resid 64 and name   HA) (resid 67 and name   HN) 0.00 0  3.90
assign (resid 64 and name   HA) (resid 67 and name  HB#) 0.00 0  4.70
assign (resid 64 and name   HA) (resid 68 and name   HN) 0.00 0  3.70
assign (resid 64 and name   HG) (resid 65 and name   HA) 0.00 0  4.60
assign (resid 64 and name  HD#) (resid 66 and name HE2#) 0.00 0 10.70
!65 GLN
assign (resid 65 and name   HN) (resid 65 and name  HG#) 0.00 0  5.60
assign (resid 65 and name   HN) (resid 66 and name   HN) 0.00 0  3.40
assign (resid 65 and name   HN) (resid 66 and name  HB#) 0.00 0  4.80
assign (resid 65 and name   HN) (resid 66 and name  HG#) 0.00 0  5.70
assign (resid 65 and name   HA) (resid 65 and name HE21) 0.00 0  6.10
assign (resid 65 and name   HA) (resid 65 and name HE22) 0.00 0  6.10
assign (resid 65 and name   HA) (resid 65 and name HE2#) 0.00 0  5.70
assign (resid 65 and name   HA) (resid 68 and name   HN) 0.00 0  3.70
assign (resid 65 and name   HA) (resid 68 and name  HB2) 0.00 0  3.90
assign (resid 65 and name   HA) (resid 68 and name  HB1) 0.00 0  3.90
assign (resid 65 and name  HB2) (resid 65 and name HE21) 0.00 0  5.90
assign (resid 65 and name  HB2) (resid 65 and name HE22) 0.00 0  5.90
assign (resid 65 and name  HB1) (resid 65 and name HE21) 0.00 0  5.90
assign (resid 65 and name  HB1) (resid 65 and name HE22) 0.00 0  5.90
assign (resid 65 and name  HB#) (resid 68 and name   HN) 0.00 0  5.40
assign (resid 65 and name  HG#) (resid 66 and name   HN) 0.00 0  7.10
!66 GLN
assign (resid 66 and name   HN) (resid 66 and name  HB2) 0.00 0  3.90
assign (resid 66 and name   HN) (resid 66 and name  HB1) 0.00 0  3.90
assign (resid 66 and name   HN) (resid 66 and name  HG2) 0.00 0  4.50
assign (resid 66 and name   HN) (resid 66 and name  HG1) 0.00 0  4.50
assign (resid 66 and name   HN) (resid 66 and name  HG#) 0.00 0  4.20
assign (resid 66 and name   HN) (resid 67 and name  HB#) 0.00 0  5.70
assign (resid 66 and name   HN) (resid 67 and name   HG) 0.00 0  4.30
assign (resid 66 and name   HA) (resid 66 and name  HG#) 0.00 0  4.00
assign (resid 66 and name   HA) (resid 66 and name HE21) 0.00 0  6.40
assign (resid 66 and name   HA) (resid 66 and name HE22) 0.00 0  6.40
assign (resid 66 and name   HA) (resid 66 and name HE2#) 0.00 0  6.10
assign (resid 66 and name   HA) (resid 69 and name   HN) 0.00 0  3.50
assign (resid 66 and name   HA) (resid 69 and name  HB#) 0.00 0  4.70
assign (resid 66 and name  HB2) (resid 66 and name HE21) 0.00 0  8.00
assign (resid 66 and name  HB2) (resid 66 and name HE22) 0.00 0  8.00
assign (resid 66 and name  HB1) (resid 66 and name HE21) 0.00 0  8.00
assign (resid 66 and name  HB1) (resid 66 and name HE22) 0.00 0  8.00
assign (resid 66 and name  HB#) (resid 67 and name  HB#) 0.00 0  6.80
assign (resid 66 and name  HB#) (resid 68 and name   HN) 0.00 0  6.30
assign (resid 66 and name  HB#) (resid 69 and name   HN) 0.00 0  5.90
assign (resid 66 and name HE21) (resid 67 and name HD1#) 0.00 0  9.30
assign (resid 66 and name HE21) (resid 67 and name HD2#) 0.00 0  9.30
assign (resid 66 and name HE22) (resid 67 and name HD1#) 0.00 0  9.30
assign (resid 66 and name HE22) (resid 67 and name HD2#) 0.00 0  9.30
assign (resid 66 and name HE2#) (resid 67 and name  HD#) 0.00 0  8.20
!67 LEU
assign (resid 67 and name   HN) (resid 67 and name  HB2) 0.00 0  3.90
assign (resid 67 and name   HN) (resid 67 and name  HB1) 0.00 0  3.90
assign (resid 67 and name   HN) (resid 67 and name   HG) 0.00 0  3.90
assign (resid 67 and name   HN) (resid 67 and name HD1#) 0.00 0  5.00
assign (resid 67 and name   HN) (resid 67 and name HD2#) 0.00 0  5.00
assign (resid 67 and name   HN) (resid 68 and name   HN) 0.00 0  3.40
assign (resid 67 and name   HN) (resid 69 and name   HN) 0.00 0  4.00
assign (resid 67 and name   HN) (resid 69 and name  HB#) 0.00 0  5.70
assign (resid 67 and name   HA) (resid 69 and name   HN) 0.00 0  3.40
assign (resid 67 and name   HA) (resid 69 and name  HD#) 0.00 0  7.20
assign (resid 67 and name   HA) (resid 69 and name  HE#) 0.00 0  7.60
assign (resid 67 and name   HA) (resid 70 and name   HN) 0.00 0  3.90
assign (resid 67 and name  HB#) (resid 68 and name   HN) 0.00 0  5.30
assign (resid 67 and name  HD#) (resid 68 and name   HN) 0.00 0  6.40
!68 LEU
assign (resid 68 and name   HN) (resid 68 and name  HB2) 0.00 0  3.90
assign (resid 68 and name   HN) (resid 68 and name  HB1) 0.00 0  3.90
assign (resid 68 and name   HN) (resid 68 and name   HG) 0.00 0  4.00
assign (resid 68 and name   HN) (resid 69 and name   HN) 0.00 0  3.50
assign (resid 68 and name   HN) (resid 70 and name   HN) 0.00 0  4.00
assign (resid 68 and name   HA) (resid 71 and name   HN) 0.00 0  3.90
assign (resid 68 and name  HB#) (resid 69 and name   HN) 0.00 0  4.70
assign (resid 68 and name   HG) (resid 69 and name   HN) 0.00 0  4.70
!69 PHE
assign (resid 69 and name   HN) (resid 70 and name   HN) 0.00 0  3.90
assign (resid 69 and name   HN) (resid 70 and name HD1#) 0.00 0  5.00
assign (resid 69 and name   HA) (resid 69 and name  HE#) 0.00 0  5.80
assign (resid 69 and name   HA) (resid 70 and name   HN) 0.00 0  3.60
assign (resid 69 and name   HA) (resid 72 and name   HN) 0.00 0  3.60
assign (resid 69 and name   HA) (resid 72 and name  HB2) 0.00 0  3.70
assign (resid 69 and name   HA) (resid 72 and name  HB1) 0.00 0  3.70
assign (resid 69 and name  HB#) (resid 70 and name   HA) 0.00 0  4.90
assign (resid 69 and name  HD#) (resid 70 and name   HN) 0.00 0  7.40
!70 ILE
assign (resid 70 and name   HN) (resid 70 and name   HB) 0.00 0  3.90
assign (resid 70 and name   HN) (resid 70 and name HG12) 0.00 0  4.20
assign (resid 70 and name   HN) (resid 70 and name HG11) 0.00 0  4.20
assign (resid 70 and name   HN) (resid 70 and name HG1#) 0.00 0  3.90
assign (resid 70 and name   HN) (resid 70 and name HD1#) 0.00 0  4.90
assign (resid 70 and name   HN) (resid 73 and name  HB#) 0.00 0  5.80
assign (resid 70 and name   HN) (resid 73 and name  HG#) 0.00 0  5.50
assign (resid 70 and name   HA) (resid 70 and name HD1#) 0.00 0  4.90
assign (resid 70 and name   HA) (resid 72 and name   HN) 0.00 0  4.50
assign (resid 70 and name   HA) (resid 73 and name   HN) 0.00 0  3.80
assign (resid 70 and name   HA) (resid 73 and name  HB2) 0.00 0  3.90
assign (resid 70 and name   HA) (resid 73 and name  HB1) 0.00 0  3.90
assign (resid 70 and name   HA) (resid 73 and name  HG2) 0.00 0  5.90
assign (resid 70 and name   HA) (resid 73 and name  HG1) 0.00 0  5.90
assign (resid 70 and name   HA) (resid 73 and name  HG#) 0.00 0  5.60
assign (resid 70 and name   HA) (resid 73 and name  HD#) 0.00 0  6.80
assign (resid 70 and name   HA) (resid 74 and name   HN) 0.00 0  4.00
assign (resid 70 and name   HA) (resid 74 and name HD1#) 0.00 0  5.90
assign (resid 70 and name   HB) (resid 71 and name   HN) 0.00 0  5.40
assign (resid 70 and name HD1#) (resid 73 and name  HD#) 0.00 0  8.50
!71 HIS
assign (resid 71 and name   HN) (resid 71 and name  HD2) 0.00 0  5.30
assign (resid 71 and name   HN) (resid 72 and name   HN) 0.00 0  3.40
assign (resid 71 and name   HN) (resid 72 and name  HB#) 0.00 0  5.00
assign (resid 71 and name   HN) (resid 73 and name   HN) 0.00 0  4.10
assign (resid 71 and name   HN) (resid 74 and name   HB) 0.00 0  4.40
assign (resid 71 and name   HN) (resid 74 and name HD1#) 0.00 0  7.60
assign (resid 71 and name   HA) (resid 71 and name  HD2) 0.00 0  4.20
assign (resid 71 and name   HA) (resid 72 and name   HN) 0.00 0  3.50
assign (resid 71 and name   HA) (resid 73 and name   HN) 0.00 0  4.20
assign (resid 71 and name   HA) (resid 74 and name   HN) 0.00 0  3.40
assign (resid 71 and name   HA) (resid 74 and name HD1#) 0.00 0  4.90
assign (resid 71 and name  HB#) (resid 72 and name   HN) 0.00 0  5.20
assign (resid 71 and name  HD2) (resid 72 and name   HN) 0.00 0  5.90
assign (resid 71 and name  HD2) (resid 72 and name   HA) 0.00 0  5.90
assign (resid 71 and name  HD2) (resid 73 and name  HG#) 0.00 0  6.00
!72 PHE
assign (resid 72 and name   HN) (resid 73 and name   HN) 0.00 0  3.40
assign (resid 72 and name   HN) (resid 73 and name  HB#) 0.00 0  5.70
assign (resid 72 and name   HN) (resid 74 and name   HN) 0.00 0  4.10
assign (resid 72 and name   HA) (resid 73 and name   HN) 0.00 0  3.40
assign (resid 72 and name   HA) (resid 73 and name  HG2) 0.00 0  5.10
assign (resid 72 and name   HA) (resid 73 and name  HG1) 0.00 0  5.10
assign (resid 72 and name   HA) (resid 73 and name  HG#) 0.00 0  4.80
assign (resid 72 and name   HA) (resid 75 and name   HN) 0.00 0  3.50
assign (resid 72 and name   HA) (resid 76 and name   HN) 0.00 0  4.00
assign (resid 72 and name  HB#) (resid 73 and name  HB#) 0.00 0  7.90
assign (resid 72 and name  HB#) (resid 73 and name  HG#) 0.00 0  7.20
assign (resid 72 and name  HB#) (resid 74 and name   HN) 0.00 0  5.60
assign (resid 72 and name  HD#) (resid 74 and name   HN) 0.00 0  8.60
assign (resid 72 and name  HE#) (resid 73 and name   HN) 0.00 0  7.50
!73 ARG
assign (resid 73 and name   HN) (resid 73 and name  HB2) 0.00 0  3.90
assign (resid 73 and name   HN) (resid 73 and name  HB1) 0.00 0  3.90
assign (resid 73 and name   HN) (resid 73 and name  HB#) 0.00 0  3.55
assign (resid 73 and name   HN) (resid 73 and name  HG2) 0.00 0  4.70
assign (resid 73 and name   HN) (resid 73 and name  HG1) 0.00 0  4.70
assign (resid 73 and name   HN) (resid 73 and name  HG#) 0.00 0  4.50
assign (resid 73 and name   HN) (resid 73 and name  HD#) 0.00 0  6.70
assign (resid 73 and name   HN) (resid 74 and name   HN) 0.00 0  3.40
assign (resid 73 and name   HN) (resid 74 and name   HB) 0.00 0  4.40
assign (resid 73 and name   HN) (resid 74 and name HG2#) 0.00 0  6.10
assign (resid 73 and name   HN) (resid 74 and name HG1#) 0.00 0  6.90
assign (resid 73 and name   HN) (resid 74 and name HD1#) 0.00 0  7.10
assign (resid 73 and name   HA) (resid 73 and name  HG2) 0.00 0  4.20
assign (resid 73 and name   HA) (resid 73 and name  HG1) 0.00 0  4.20
assign (resid 73 and name   HA) (resid 73 and name  HG#) 0.00 0  3.90
assign (resid 73 and name   HA) (resid 73 and name  HD#) 0.00 0  4.30
assign (resid 73 and name  HB2) (resid 74 and name   HN) 0.00 0  4.00
assign (resid 73 and name  HB1) (resid 74 and name   HN) 0.00 0  4.00
assign (resid 73 and name  HG#) (resid 77 and name  HD#) 0.00 0  7.00
assign (resid 73 and name  HD#) (resid 74 and name   HN) 0.00 0  8.40
!74 ILE
assign (resid 74 and name   HN) (resid 74 and name   HB) 0.00 0  3.90
assign (resid 74 and name   HN) (resid 74 and name HG2#) 0.00 0  4.90
assign (resid 74 and name   HN) (resid 74 and name HG12) 0.00 0  4.10
assign (resid 74 and name   HN) (resid 74 and name HG11) 0.00 0  4.10
assign (resid 74 and name   HN) (resid 74 and name HD1#) 0.00 0  4.90
assign (resid 74 and name   HA) (resid 77 and name   HN) 0.00 0  4.20
assign (resid 74 and name   HA) (resid 77 and name  HB2) 0.00 0  4.20
assign (resid 74 and name   HA) (resid 77 and name  HB1) 0.00 0  4.20
assign (resid 74 and name   HA) (resid 77 and name  HG#) 0.00 0  5.90
assign (resid 74 and name HG2#) (resid 78 and name  HD2) 0.00 0  5.90
assign (resid 74 and name HD1#) (resid 78 and name  HD2) 0.00 0  9.50
!75 GLY
assign (resid 75 and name   HN) (resid 76 and name   HN) 0.00 0  3.70
assign (resid 75 and name  HA#) (resid 78 and name  HB#) 0.00 0  4.70
!76 CYS
assign (resid 76 and name   HA) (resid 79 and name   HN) 0.00 0  5.00
assign (resid 76 and name  HB2) (resid 77 and name   HN) 0.00 0  4.90
assign (resid 76 and name  HB1) (resid 77 and name   HN) 0.00 0  4.90
!77 ARG
assign (resid 77 and name   HN) (resid 77 and name  HB2) 0.00 0  4.10
assign (resid 77 and name   HN) (resid 77 and name  HB1) 0.00 0  4.10
assign (resid 77 and name   HN) (resid 77 and name  HB#) 0.00 0  3.80
assign (resid 77 and name   HN) (resid 77 and name  HG#) 0.00 0  7.20
assign (resid 77 and name   HN) (resid 78 and name   HN) 0.00 0  4.50
assign (resid 77 and name   HA) (resid 77 and name  HD#) 0.00 0  5.60
assign (resid 77 and name  HG#) (resid 78 and name  HD2) 0.00 0  8.10
!78 HIS
assign (resid 78 and name   HA) (resid 78 and name  HD2) 0.00 0  6.40
assign (resid 78 and name  HB#) (resid 79 and name  HB#) 0.00 0  5.90
assign (resid 78 and name  HD2) (resid 79 and name   HA) 0.00 0  8.30
assign (resid 78 and name  HD2) (resid 79 and name  HB#) 0.00 0  6.30
!79 SER
assign (resid 79 and name   HN) (resid 80 and name   HN) 0.00 0  3.90
!80 ARG
assign (resid 80 and name   HN) (resid 80 and name  HG#) 0.00 0  6.90
assign (resid 80 and name   HN) (resid 81 and name   HN) 0.00 0  3.70
assign (resid 80 and name   HA) (resid 81 and name   HN) 0.00 0  3.40
!81 ILE
assign (resid 81 and name   HN) (resid 81 and name HG12) 0.00 0  5.00
assign (resid 81 and name   HN) (resid 81 and name HG11) 0.00 0  5.00
assign (resid 81 and name   HN) (resid 81 and name HG1#) 0.00 0  4.80
assign (resid 81 and name   HA) (resid 82 and name   HN) 0.00 0  3.40
!82 GLY
assign (resid 82 and name   HN) (resid 82 and name   H1) 0 -1.78 4.20
assign (resid 82 and name   HN) (resid 82 and name   H2) 0 -1.78 4.85


restraints dihedral

      assign (resid 52 and name c) (resid 53 and name n)
             (resid 53 and name ca) (resid 53 and name c)  1  -60.0   40.0  2
      assign (resid 53 and name c) (resid 54 and name n)
             (resid 54 and name ca) (resid 54 and name c)  1  -60.0   40.0  2
      assign (resid 54 and name c) (resid 55 and name n)
             (resid 55 and name ca) (resid 55 and name c)  1  -60.0   40.0  2
      assign (resid 58 and name c) (resid 59 and name n)
             (resid 59 and name ca) (resid 59 and name c)  1  -60.0   40.0  2
      assign (resid 59 and name c) (resid 60 and name n)
             (resid 60 and name ca) (resid 60 and name c)  1  -60.0   40.0  2
      assign (resid 63 and name c) (resid 64 and name n)
             (resid 64 and name ca) (resid 64 and name c)  1  -60.0   40.0  2
      assign (resid 64 and name c) (resid 65 and name n)
             (resid 65 and name ca) (resid 65 and name c)  1  -60.0   30.0  2
      assign (resid 65 and name c) (resid 66 and name n)
             (resid 66 and name ca) (resid 66 and name c)  1  -60.0   30.0  2
      assign (resid 66 and name c) (resid 67 and name n)
             (resid 67 and name ca) (resid 67 and name c)  1  -60.0   30.0  2
      assign (resid 67 and name c) (resid 68 and name n)
             (resid 68 and name ca) (resid 68 and name c)  1  -60.0   40.0  2
      assign (resid 68 and name c) (resid 69 and name n)
             (resid 69 and name ca) (resid 69 and name c)  1  -60.0   30.0  2
      assign (resid 69 and name c) (resid 70 and name n)
             (resid 70 and name ca) (resid 70 and name c)  1  -60.0   30.0  2
      assign (resid 70 and name c) (resid 71 and name n)
             (resid 71 and name ca) (resid 71 and name c)  1  -60.0   30.0  2
      assign (resid 75 and name c) (resid 76 and name n)
             (resid 76 and name ca) (resid 76 and name c)  1  -60.0   40.0  2

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    ACE  50          1HA       ACE  50   3.633   0.714   0.714
    2   2H    ACE  50          2HA       ACE  50   3.657  -0.735  -0.735
    3   3H    ACE  50          3HA       ACE  50   2.695   0.664   0.664
    4    H    TYR  50           H        TYR  50   2.869  -0.458  -0.458
    5    HA   TYR  50           HA       TYR  50   1.286  -1.231  -1.231
    6   1HB   TYR  50          2HB       TYR  50   0.408  -2.757  -2.757
    7   2HB   TYR  50          1HB       TYR  50  -0.202  -3.086  -3.086
    8    HD1  TYR  50           HD2      TYR  50   2.875  -3.033  -3.033
    9    HD2  TYR  50           HD1      TYR  50   1.191  -4.204  -4.204
   10    HE1  TYR  50           HE2      TYR  50   4.885  -4.351  -4.351
   11    HE2  TYR  50           HE1      TYR  50   3.198  -5.513  -5.513
   12    HH   TYR  50           HH       TYR  50   5.033  -6.618  -6.618
   13    H    GLY  51           H        GLY  51  -0.022   0.502   0.502
   14   1HA   GLY  51          2HA       GLY  51  -2.794   0.520   0.520
   15   2HA   GLY  51          1HA       GLY  51  -1.998   1.764   1.764
   16    H    ASP  52           H        ASP  52  -3.493   1.216   1.216
   17    HA   ASP  52           HA       ASP  52  -2.424   2.330   2.330
   18   1HB   ASP  52          2HB       ASP  52  -4.581   3.291   3.291
   19   2HB   ASP  52          1HB       ASP  52  -4.857   1.798   1.798
   20    H    THR  53           H        THR  53  -3.422   4.542   4.542
   21    HA   THR  53           HA       THR  53  -2.610   6.868   6.868
   22    HB   THR  53           HB       THR  53  -2.850   7.894   7.894
   23    HG1  THR  53           HG1      THR  53  -3.132   6.412   6.412
   24   1HG2  THR  53          3HG2      THR  53  -4.912   7.601   7.601
   25   2HG2  THR  53          2HG2      THR  53  -5.130   6.007   6.007
   26   3HG2  THR  53          1HG2      THR  53  -5.289   7.435   7.435
   27    H    TRP  54           H        TRP  54  -1.261   5.302   5.302
   28    HA   TRP  54           HA       TRP  54   1.179   6.813   6.813
   29   1HB   TRP  54          2HB       TRP  54   0.303   4.235   4.235
   30   2HB   TRP  54          1HB       TRP  54   2.012   4.668   4.668
   31    HD1  TRP  54           HD1      TRP  54  -1.039   5.372   5.372
   32    HE1  TRP  54           HE1      TRP  54  -0.773   7.434   7.434
   33    HE3  TRP  54           HE3      TRP  54   3.131   7.157   7.157
   34    HZ2  TRP  54           HZ2      TRP  54   0.995   9.542   9.542
   35    HZ3  TRP  54           HZ3      TRP  54   4.127   9.260   9.260
   36    HH2  TRP  54           HH2      TRP  54   3.053  10.448  10.448
   37    H    ALA  55           H        ALA  55   0.626   3.528   3.528
   38    HA   ALA  55           HA       ALA  55   3.227   3.092   3.092
   39   1HB   ALA  55          2HB       ALA  55   1.651   1.290   1.290
   40   2HB   ALA  55          1HB       ALA  55   0.573   1.819   1.819
   41   3HB   ALA  55          3HB       ALA  55   2.160   1.163   1.163
   42    H    GLY  56           H        GLY  56   0.206   4.223   4.223
   43   1HA   GLY  56          2HA       GLY  56   1.146   4.276   4.276
   44   2HA   GLY  56          1HA       GLY  56  -0.193   5.250   5.250
   45    H    VAL  57           H        VAL  57   1.147   6.649   6.649
   46    HA   VAL  57           HA       VAL  57   2.453   8.697   8.697
   47    HB   VAL  57           HB       VAL  57   1.813   8.524   8.524
   48   1HG1  VAL  57          3HG1      VAL  57   2.755  10.924  10.924
   49   2HG1  VAL  57          2HG1      VAL  57   2.270  10.962  10.962
   50   3HG1  VAL  57          1HG1      VAL  57   3.713  10.093  10.093
   51   1HG2  VAL  57          3HG2      VAL  57  -0.159   8.638   8.638
   52   2HG2  VAL  57          2HG2      VAL  57  -0.027  10.102  10.102
   53   3HG2  VAL  57          1HG2      VAL  57   0.515  10.080  10.080
   54    H    GLU  58           H        GLU  58   3.510   6.332   6.332
   55    HA   GLU  58           HA       GLU  58   6.178   7.449   7.449
   56   1HB   GLU  58          2HB       GLU  58   4.717   5.028   5.028
   57   2HB   GLU  58          1HB       GLU  58   6.374   4.673   4.673
   58   1HG   GLU  58          2HG       GLU  58   5.503   7.033   7.033
   59   2HG   GLU  58          1HG       GLU  58   5.919   5.458   5.458
   60    H    ALA  59           H        ALA  59   4.489   5.590   5.590
   61    HA   ALA  59           HA       ALA  59   6.814   4.446   4.446
   62   1HB   ALA  59          1HB       ALA  59   4.648   3.258   3.258
   63   2HB   ALA  59          3HB       ALA  59   3.865   4.575   4.575
   64   3HB   ALA  59          2HB       ALA  59   5.073   3.596   3.596
   65    H    ILE  60           H        ILE  60   4.557   7.077   7.077
   66    HA   ILE  60           HA       ILE  60   5.770   7.793   7.793
   67    HB   ILE  60           HB       ILE  60   4.330   9.935   9.935
   68   1HG1  ILE  60          2HG1      ILE  60   2.794   8.586   8.586
   69   2HG1  ILE  60          1HG1      ILE  60   4.215   9.467   9.467
   70   1HG2  ILE  60          3HG2      ILE  60   3.523   7.948   7.948
   71   2HG2  ILE  60          2HG2      ILE  60   2.896   7.244   7.244
   72   3HG2  ILE  60          1HG2      ILE  60   2.189   8.717   8.717
   73   1HD1  ILE  60          1HD1      ILE  60   3.396  11.492  11.492
   74   2HD1  ILE  60          3HD1      ILE  60   1.927  10.631  10.631
   75   3HD1  ILE  60          2HD1      ILE  60   2.298  10.944  10.944
   76    H    ILE  61           H        ILE  61   5.915   8.657   8.657
   77    HA   ILE  61           HA       ILE  61   7.390  10.992  10.992
   78    HB   ILE  61           HB       ILE  61   6.902   8.945   8.945
   79   1HG1  ILE  61          2HG1      ILE  61   7.109  11.964  11.964
   80   2HG1  ILE  61          1HG1      ILE  61   5.639  11.073  11.073
   81   1HG2  ILE  61          3HG2      ILE  61   9.450  10.452  10.452
   82   2HG2  ILE  61          2HG2      ILE  61   8.577   9.539   9.539
   83   3HG2  ILE  61          1HG2      ILE  61   9.214   8.716   8.716
   84   1HD1  ILE  61          3HD1      ILE  61   5.804   9.903   9.903
   85   2HD1  ILE  61          2HD1      ILE  61   7.235  10.844  10.844
   86   3HD1  ILE  61          1HD1      ILE  61   5.699  11.647  11.647
   87    H    ARG  62           H        ARG  62   8.267   7.711   7.711
   88    HA   ARG  62           HA       ARG  62  11.141   8.145   8.145
   89   1HB   ARG  62          2HB       ARG  62   9.463   5.886   5.886
   90   2HB   ARG  62          1HB       ARG  62  11.213   5.848   5.848
   91   1HG   ARG  62          2HG       ARG  62  11.437   5.994   5.994
   92   2HG   ARG  62          1HG       ARG  62   9.721   6.247   6.247
   93   1HD   ARG  62          2HD       ARG  62  10.373   3.883   3.883
   94   2HD   ARG  62          1HD       ARG  62   9.281   3.960   3.960
   95    HE   ARG  62           HE       ARG  62  12.215   3.961   3.961
   96   1HH1  ARG  62          1HH2      ARG  62   9.242   3.120   3.120
   97   2HH1  ARG  62          2HH2      ARG  62   9.698   1.563   1.563
   98   1HH2  ARG  62          2HH1      ARG  62  12.831   1.659   1.659
   99   2HH2  ARG  62          1HH1      ARG  62  11.787   0.713   0.713
  100    H    ILE  63           H        ILE  63   9.144   7.734   7.734
  101    HA   ILE  63           HA       ILE  63  11.407   8.275   8.275
  102    HB   ILE  63           HB       ILE  63   9.458   8.497   8.497
  103   1HG1  ILE  63          2HG1      ILE  63   7.426   7.116   7.116
  104   2HG1  ILE  63          1HG1      ILE  63   7.853   7.295   7.295
  105   1HG2  ILE  63          1HG2      ILE  63  10.974   6.573   6.573
  106   2HG2  ILE  63          3HG2      ILE  63  10.019   5.900   5.900
  107   3HG2  ILE  63          2HG2      ILE  63   9.342   6.010   6.010
  108   1HD1  ILE  63          3HD1      ILE  63   7.209   9.542   9.542
  109   2HD1  ILE  63          2HD1      ILE  63   6.180   8.944   8.944
  110   3HD1  ILE  63          1HD1      ILE  63   7.649   9.786   9.786
  111    H    LEU  64           H        LEU  64   8.947  10.307  10.307
  112    HA   LEU  64           HA       LEU  64   9.528  12.584  12.584
  113   1HB   LEU  64          2HB       LEU  64   7.329  12.168  12.168
  114   2HB   LEU  64          1HB       LEU  64   8.176  11.976  11.976
  115    HG   LEU  64           HG       LEU  64   8.782  14.233  14.233
  116   1HD1  LEU  64          2HD1      LEU  64   7.240  14.497  14.497
  117   2HD1  LEU  64          1HD1      LEU  64   7.869  15.857  15.857
  118   3HD1  LEU  64          3HD1      LEU  64   8.975  14.711  14.711
  119   1HD2  LEU  64          1HD2      LEU  64   6.575  13.591  13.591
  120   2HD2  LEU  64          3HD2      LEU  64   6.472  15.212  15.212
  121   3HD2  LEU  64          2HD2      LEU  64   5.804  13.863  13.863
  122    H    GLN  65           H        GLN  65  10.836  11.253  11.253
  123    HA   GLN  65           HA       GLN  65  12.384  13.697  13.697
  124   1HB   GLN  65          2HB       GLN  65  12.195  10.929  10.929
  125   2HB   GLN  65          1HB       GLN  65  13.710  11.770  11.770
  126   1HG   GLN  65          2HG       GLN  65  12.358  12.375  12.375
  127   2HG   GLN  65          1HG       GLN  65  12.374  13.779  13.779
  128   1HE2  GLN  65          2HE2      GLN  65   8.819  13.117  13.117
  129   2HE2  GLN  65          1HE2      GLN  65  10.248  13.289  13.289
  130    H    GLN  66           H        GLN  66  13.032  10.429  10.429
  131    HA   GLN  66           HA       GLN  66  15.679  10.792  10.792
  132   1HB   GLN  66          2HB       GLN  66  13.334   9.138   9.138
  133   2HB   GLN  66          1HB       GLN  66  14.892   8.925   8.925
  134   1HG   GLN  66          2HG       GLN  66  15.902   8.345   8.345
  135   2HG   GLN  66          1HG       GLN  66  14.359   8.633   8.633
  136   1HE2  GLN  66          2HE2      GLN  66  12.985   5.539   5.539
  137   2HE2  GLN  66          1HE2      GLN  66  12.575   7.108   7.108
  138    H    LEU  67           H        LEU  67  12.762  11.602  11.602
  139    HA   LEU  67           HA       LEU  67  14.293  12.521  12.521
  140   1HB   LEU  67          2HB       LEU  67  11.310  12.710  12.710
  141   2HB   LEU  67          1HB       LEU  67  12.000  13.112  13.112
  142    HG   LEU  67           HG       LEU  67  12.422  10.392  10.392
  143   1HD1  LEU  67          1HD1      LEU  67  10.369  11.166  11.166
  144   2HD1  LEU  67          3HD1      LEU  67  10.648   9.535   9.535
  145   3HD1  LEU  67          2HD1      LEU  67   9.995  10.752  10.752
  146   1HD2  LEU  67          2HD2      LEU  67  12.775  11.288  11.288
  147   2HD2  LEU  67          1HD2      LEU  67  14.089  10.972  10.972
  148   3HD2  LEU  67          3HD2      LEU  67  13.057   9.665   9.665
  149    H    LEU  68           H        LEU  68  13.107  13.887  13.887
  150    HA   LEU  68           HA       LEU  68  13.329  16.622  16.622
  151   1HB   LEU  68          2HB       LEU  68  11.645  16.250  16.250
  152   2HB   LEU  68          1HB       LEU  68  12.812  15.368  15.368
  153    HG   LEU  68           HG       LEU  68  14.108  17.292  17.292
  154   1HD1  LEU  68          3HD1      LEU  68  12.017  18.843  18.843
  155   2HD1  LEU  68          2HD1      LEU  68  13.293  19.605  19.605
  156   3HD1  LEU  68          1HD1      LEU  68  13.705  18.620  18.620
  157   1HD2  LEU  68          1HD2      LEU  68  11.164  17.792  17.792
  158   2HD2  LEU  68          3HD2      LEU  68  12.297  16.879  16.879
  159   3HD2  LEU  68          2HD2      LEU  68  12.489  18.614  18.614
  160    H    PHE  69           H        PHE  69  15.291  14.079  14.079
  161    HA   PHE  69           HA       PHE  69  17.456  15.755  15.755
  162   1HB   PHE  69          2HB       PHE  69  17.464  12.810  12.810
  163   2HB   PHE  69          1HB       PHE  69  18.789  13.610  13.610
  164    HD1  PHE  69           HD1      PHE  69  16.224  15.088  15.088
  165    HD2  PHE  69           HD2      PHE  69  17.884  11.208  11.208
  166    HE1  PHE  69           HE1      PHE  69  15.316  14.360  14.360
  167    HE2  PHE  69           HE2      PHE  69  16.968  10.476  10.476
  168    HZ   PHE  69           HZ       PHE  69  15.682  12.050  12.050
  169    H    ILE  70           H        ILE  70  16.675  14.128  14.128
  170    HA   ILE  70           HA       ILE  70  19.133  14.321  14.321
  171    HB   ILE  70           HB       ILE  70  17.890  14.321  14.321
  172   1HG1  ILE  70          2HG1      ILE  70  15.778  15.512  15.512
  173   2HG1  ILE  70          1HG1      ILE  70  16.218  15.911  15.911
  174   1HG2  ILE  70          3HG2      ILE  70  18.036  12.240  12.240
  175   2HG2  ILE  70          2HG2      ILE  70  16.553  12.629  12.629
  176   3HG2  ILE  70          1HG2      ILE  70  16.524  12.287  12.287
  177   1HD1  ILE  70          3HD1      ILE  70  15.129  13.894  13.894
  178   2HD1  ILE  70          2HD1      ILE  70  14.701  13.446  13.446
  179   3HD1  ILE  70          1HD1      ILE  70  14.010  14.892  14.892
  180    H    HIS  71           H        HIS  71  16.796  17.007  17.007
  181    HA   HIS  71           HA       HIS  71  18.014  18.798  18.798
  182   1HB   HIS  71          2HB       HIS  71  16.819  20.539  20.539
  183   2HB   HIS  71          1HB       HIS  71  15.846  19.148  19.148
  184    HD1  HIS  71           HD1      HIS  71  16.483  21.985  21.985
  185    HD2  HIS  71           HD2      HIS  71  17.469  18.083  18.083
  186    HE1  HIS  71           HE1      HIS  71  16.840  21.866  21.866
  187    H    PHE  72           H        PHE  72  19.049  17.679  17.679
  188    HA   PHE  72           HA       PHE  72  21.158  19.706  19.706
  189   1HB   PHE  72          2HB       PHE  72  19.792  18.607  18.607
  190   2HB   PHE  72          1HB       PHE  72  20.774  17.183  17.183
  191    HD1  PHE  72           HD1      PHE  72  23.214  17.235  17.235
  192    HD2  PHE  72           HD2      PHE  72  20.772  20.626  20.626
  193    HE1  PHE  72           HE1      PHE  72  25.019  18.212  18.212
  194    HE2  PHE  72           HE2      PHE  72  22.590  21.607  21.607
  195    HZ   PHE  72           HZ       PHE  72  24.716  20.399  20.399
  196    H    ARG  73           H        ARG  73  20.781  16.753  16.753
  197    HA   ARG  73           HA       ARG  73  23.706  16.202  16.202
  198   1HB   ARG  73          2HB       ARG  73  21.349  14.572  14.572
  199   2HB   ARG  73          1HB       ARG  73  23.003  14.029  14.029
  200   1HG   ARG  73          2HG       ARG  73  22.717  14.825  14.825
  201   2HG   ARG  73          1HG       ARG  73  21.026  14.943  14.943
  202   1HD   ARG  73          2HD       ARG  73  20.888  12.561  12.561
  203   2HD   ARG  73          1HD       ARG  73  22.606  12.365  12.365
  204    HE   ARG  73           HE       ARG  73  20.735  13.211  13.211
  205   1HH1  ARG  73          1HH2      ARG  73  22.557  12.866  12.866
  206   2HH1  ARG  73          2HH2      ARG  73  23.046  11.215  11.215
  207   1HH2  ARG  73          2HH1      ARG  73  21.537  10.345  10.345
  208   2HH2  ARG  73          1HH1      ARG  73  22.468   9.734   9.734
  209    H    ILE  74           H        ILE  74  21.172  17.541  17.541
  210    HA   ILE  74           HA       ILE  74  22.347  17.420  17.420
  211    HB   ILE  74           HB       ILE  74  19.648  18.279  18.279
  212   1HG1  ILE  74          2HG1      ILE  74  20.406  16.143  16.143
  213   2HG1  ILE  74          1HG1      ILE  74  20.215  15.838  15.838
  214   1HG2  ILE  74          1HG2      ILE  74  20.232  19.858  19.858
  215   2HG2  ILE  74          3HG2      ILE  74  20.530  18.486  18.486
  216   3HG2  ILE  74          2HG2      ILE  74  18.911  18.806  18.806
  217   1HD1  ILE  74          3HD1      ILE  74  17.845  16.623  16.623
  218   2HD1  ILE  74          2HD1      ILE  74  18.022  16.869  16.869
  219   3HD1  ILE  74          1HD1      ILE  74  18.152  15.259  15.259
  220    H    GLY  75           H        GLY  75  21.152  19.947  19.947
  221   1HA   GLY  75          2HA       GLY  75  22.272  22.098  22.098
  222   2HA   GLY  75          1HA       GLY  75  21.803  22.201  22.201
  223    H    CYS  76           H        CYS  76  23.330  20.907  20.907
  224    HA   CYS  76           HA       CYS  76  25.869  22.141  22.141
  225   1HB   CYS  76          2HB       CYS  76  25.129  19.572  19.572
  226   2HB   CYS  76          1HB       CYS  76  26.382  20.684  20.684
  227    HG   CYS  76           HG       CYS  76  23.472  20.903  20.903
  228    H    ARG  77           H        ARG  77  25.144  20.049  20.049
  229    HA   ARG  77           HA       ARG  77  27.902  18.893  18.893
  230   1HB   ARG  77          2HB       ARG  77  25.933  17.292  17.292
  231   2HB   ARG  77          1HB       ARG  77  25.408  17.573  17.573
  232   1HG   ARG  77          2HG       ARG  77  26.731  15.828  15.828
  233   2HG   ARG  77          1HG       ARG  77  28.090  16.914  16.914
  234   1HD   ARG  77          2HD       ARG  77  26.900  15.194  15.194
  235   2HD   ARG  77          1HD       ARG  77  28.342  14.776  14.776
  236    HE   ARG  77           HE       ARG  77  28.377  17.392  17.392
  237   1HH1  ARG  77          2HH1      ARG  77  30.849  16.098  16.098
  238   2HH1  ARG  77          1HH1      ARG  77  31.449  15.357  15.357
  239   1HH2  ARG  77          1HH2      ARG  77  28.337  15.533  15.533
  240   2HH2  ARG  77          2HH2      ARG  77  29.974  14.993  14.993
  241    H    HIS  78           H        HIS  78  25.027  19.907  19.907
  242    HA   HIS  78           HA       HIS  78  26.453  20.043  20.043
  243   1HB   HIS  78          2HB       HIS  78  24.004  19.433  19.433
  244   2HB   HIS  78          1HB       HIS  78  23.675  21.090  21.090
  245    HD1  HIS  78           HD1      HIS  78  25.982  21.802  21.802
  246    HD2  HIS  78           HD2      HIS  78  22.204  20.077  20.077
  247    HE1  HIS  78           HE1      HIS  78  25.019  22.040  22.040
  248    H    SER  79           H        SER  79  25.505  22.411  22.411
  249    HA   SER  79           HA       SER  79  26.943  24.439  24.439
  250   1HB   SER  79          2HB       SER  79  24.444  24.735  24.735
  251   2HB   SER  79          1HB       SER  79  24.477  25.023  25.023
  252    HG   SER  79           HG       SER  79  25.916  26.722  26.722
  253    H    ARG  80           H        ARG  80  28.082  22.931  22.931
  254    HA   ARG  80           HA       ARG  80  28.255  24.772  24.772
  255   1HB   ARG  80          2HB       ARG  80  29.034  22.064  22.064
  256   2HB   ARG  80          1HB       ARG  80  30.499  22.866  22.866
  257   1HG   ARG  80          2HG       ARG  80  27.940  22.547  22.547
  258   2HG   ARG  80          1HG       ARG  80  29.532  21.966  21.966
  259   1HD   ARG  80          2HD       ARG  80  28.456  24.795  24.795
  260   2HD   ARG  80          1HD       ARG  80  29.253  23.827  23.827
  261    HE   ARG  80           HE       ARG  80  31.093  24.285  24.285
  262   1HH1  ARG  80          1HH2      ARG  80  29.373  26.801  26.801
  263   2HH1  ARG  80          2HH2      ARG  80  30.544  27.612  27.612
  264   1HH2  ARG  80          2HH1      ARG  80  32.643  24.836  24.836
  265   2HH2  ARG  80          1HH1      ARG  80  32.427  26.497  26.497
  266    H    ILE  81           H        ILE  81  28.899  26.150  26.150
  267    HA   ILE  81           HA       ILE  81  31.814  26.451  26.451
  268    HB   ILE  81           HB       ILE  81  29.717  28.274  28.274
  269   1HG1  ILE  81          2HG1      ILE  81  29.037  26.026  26.026
  270   2HG1  ILE  81          1HG1      ILE  81  29.863  26.778  26.778
  271   1HG2  ILE  81          3HG2      ILE  81  32.556  27.522  27.522
  272   2HG2  ILE  81          2HG2      ILE  81  31.472  28.572  28.572
  273   3HG2  ILE  81          1HG2      ILE  81  32.053  29.057  29.057
  274   1HD1  ILE  81          3HD1      ILE  81  31.960  25.528  25.528
  275   2HD1  ILE  81          2HD1      ILE  81  31.131  24.761  24.761
  276   3HD1  ILE  81          1HD1      ILE  81  30.617  24.441  24.441
  277    H    GLY  82           H        GLY  82  31.462  26.839  26.839
  278   1HA   GLY  82          2HA       GLY  82  31.949  29.735  29.735
  279   2HA   GLY  82          1HA       GLY  82  30.617  29.027  29.027
  280   1HN   NH2  83          1HT       GLY  82  33.662  27.422  27.422
  281   2HN   NH2  83          2HT       GLY  82  34.204  27.222  27.222

  Start of MODEL    2
    1   1H    ACE  50          1HA       ACE  50   2.857   3.570   3.570
    2   2H    ACE  50          2HA       ACE  50   3.757   3.577   3.577
    3   3H    ACE  50          3HA       ACE  50   4.362   2.665   2.665
    4    H    TYR  50           H        TYR  50   3.876   1.563   1.563
    5    HA   TYR  50           HA       TYR  50   2.994  -0.318  -0.318
    6   1HB   TYR  50          2HB       TYR  50   2.353  -0.919  -0.919
    7   2HB   TYR  50          1HB       TYR  50   1.769  -1.970  -1.970
    8    HD1  TYR  50           HD2      TYR  50   5.088  -0.193  -0.193
    9    HD2  TYR  50           HD1      TYR  50   3.058  -3.894  -3.894
   10    HE1  TYR  50           HE2      TYR  50   7.230  -1.367  -1.367
   11    HE2  TYR  50           HE1      TYR  50   5.192  -5.049  -5.049
   12    HH   TYR  50           HH       TYR  50   7.442  -4.850  -4.850
   13    H    GLY  51           H        GLY  51   0.671   1.558   1.558
   14   1HA   GLY  51          2HA       GLY  51  -1.684   0.241   0.241
   15   2HA   GLY  51          1HA       GLY  51  -1.654   1.901   1.901
   16    H    ASP  52           H        ASP  52  -2.769   0.545   0.545
   17    HA   ASP  52           HA       ASP  52  -1.805   0.972   0.972
   18   1HB   ASP  52          2HB       ASP  52  -4.479   2.084   2.084
   19   2HB   ASP  52          1HB       ASP  52  -4.029   1.944   1.944
   20    H    THR  53           H        THR  53  -3.082   3.795   3.795
   21    HA   THR  53           HA       THR  53  -2.222   5.672   5.672
   22    HB   THR  53           HB       THR  53  -2.828   7.273   7.273
   23    HG1  THR  53           HG1      THR  53  -2.926   6.127   6.127
   24   1HG2  THR  53          1HG2      THR  53  -4.608   6.459   6.459
   25   2HG2  THR  53          3HG2      THR  53  -4.876   5.073   5.073
   26   3HG2  THR  53          2HG2      THR  53  -5.233   6.691   6.691
   27    H    TRP  54           H        TRP  54  -0.950   4.591   4.591
   28    HA   TRP  54           HA       TRP  54   1.206   6.493   6.493
   29   1HB   TRP  54          2HB       TRP  54   0.613   3.894   3.894
   30   2HB   TRP  54          1HB       TRP  54   2.260   4.491   4.491
   31    HD1  TRP  54           HD1      TRP  54  -0.739   4.775   4.775
   32    HE1  TRP  54           HE1      TRP  54  -0.919   6.909   6.909
   33    HE3  TRP  54           HE3      TRP  54   2.880   7.316   7.316
   34    HZ2  TRP  54           HZ2      TRP  54   0.350   9.372   9.372
   35    HZ3  TRP  54           HZ3      TRP  54   3.413   9.629   9.629
   36    HH2  TRP  54           HH2      TRP  54   2.141  10.645  10.645
   37    H    ALA  55           H        ALA  55   1.213   3.081   3.081
   38    HA   ALA  55           HA       ALA  55   3.899   3.157   3.157
   39   1HB   ALA  55          1HB       ALA  55   2.712   1.080   1.080
   40   2HB   ALA  55          3HB       ALA  55   1.584   1.348   1.348
   41   3HB   ALA  55          2HB       ALA  55   3.284   1.034   1.034
   42    H    GLY  56           H        GLY  56   0.722   3.417   3.417
   43   1HA   GLY  56          2HA       GLY  56   1.472   3.648   3.648
   44   2HA   GLY  56          1HA       GLY  56   0.021   4.369   4.369
   45    H    VAL  57           H        VAL  57   1.304   6.141   6.141
   46    HA   VAL  57           HA       VAL  57   2.145   8.204   8.204
   47    HB   VAL  57           HB       VAL  57   1.504   8.279   8.279
   48   1HG1  VAL  57          2HG1      VAL  57   3.054  10.128  10.128
   49   2HG1  VAL  57          1HG1      VAL  57   1.925  10.593  10.593
   50   3HG1  VAL  57          3HG1      VAL  57   1.461  10.728  10.728
   51   1HG2  VAL  57          1HG2      VAL  57  -0.458   7.789   7.789
   52   2HG2  VAL  57          3HG2      VAL  57  -0.615   9.370   9.370
   53   3HG2  VAL  57          2HG2      VAL  57  -0.085   9.212   9.212
   54    H    GLU  58           H        GLU  58   3.505   6.511   6.511
   55    HA   GLU  58           HA       GLU  58   5.924   8.071   8.071
   56   1HB   GLU  58          2HB       GLU  58   5.128   5.258   5.258
   57   2HB   GLU  58          1HB       GLU  58   6.786   5.774   5.774
   58   1HG   GLU  58          2HG       GLU  58   5.995   7.740   7.740
   59   2HG   GLU  58          1HG       GLU  58   4.336   7.230   7.230
   60    H    ALA  59           H        ALA  59   4.660   5.542   5.542
   61    HA   ALA  59           HA       ALA  59   7.150   4.891   4.891
   62   1HB   ALA  59          3HB       ALA  59   5.302   3.235   3.235
   63   2HB   ALA  59          2HB       ALA  59   4.267   4.303   4.303
   64   3HB   ALA  59          1HB       ALA  59   5.688   3.582   3.582
   65    H    ILE  60           H        ILE  60   4.499   7.197   7.197
   66    HA   ILE  60           HA       ILE  60   5.591   7.706   7.706
   67    HB   ILE  60           HB       ILE  60   3.894   9.639   9.639
   68   1HG1  ILE  60          2HG1      ILE  60   2.345   8.377   8.377
   69   2HG1  ILE  60          1HG1      ILE  60   3.658   9.409   9.409
   70   1HG2  ILE  60          2HG2      ILE  60   3.460   7.454   7.454
   71   2HG2  ILE  60          1HG2      ILE  60   2.846   6.801   6.801
   72   3HG2  ILE  60          3HG2      ILE  60   1.974   8.086   8.086
   73   1HD1  ILE  60          1HD1      ILE  60   2.805  11.261  11.261
   74   2HD1  ILE  60          3HD1      ILE  60   1.436  10.257  10.257
   75   3HD1  ILE  60          2HD1      ILE  60   1.635  10.749  10.749
   76    H    ILE  61           H        ILE  61   5.520   9.108   9.108
   77    HA   ILE  61           HA       ILE  61   6.749  11.514  11.514
   78    HB   ILE  61           HB       ILE  61   5.993   9.965   9.965
   79   1HG1  ILE  61          2HG1      ILE  61   5.483  12.037  12.037
   80   2HG1  ILE  61          1HG1      ILE  61   6.453  12.907  12.907
   81   1HG2  ILE  61          1HG2      ILE  61   8.579  11.403  11.403
   82   2HG2  ILE  61          3HG2      ILE  61   7.478  10.771  10.771
   83   3HG2  ILE  61          2HG2      ILE  61   8.274   9.675   9.675
   84   1HD1  ILE  61          1HD1      ILE  61   3.920  11.282  11.282
   85   2HD1  ILE  61          3HD1      ILE  61   4.002  13.034  13.034
   86   3HD1  ILE  61          2HD1      ILE  61   4.822  12.178  12.178
   87    H    ARG  62           H        ARG  62   7.871   8.347   8.347
   88    HA   ARG  62           HA       ARG  62  10.655   8.803   8.803
   89   1HB   ARG  62          2HB       ARG  62   8.984   6.580   6.580
   90   2HB   ARG  62          1HB       ARG  62   9.864   6.423   6.423
   91   1HG   ARG  62          2HG       ARG  62  12.011   6.499   6.499
   92   2HG   ARG  62          1HG       ARG  62  11.182   6.832   6.832
   93   1HD   ARG  62          2HD       ARG  62  10.020   4.625   4.625
   94   2HD   ARG  62          1HD       ARG  62  10.897   4.283   4.283
   95    HE   ARG  62           HE       ARG  62  12.870   3.977   3.977
   96   1HH1  ARG  62          2HH1      ARG  62  13.233   6.128   6.128
   97   2HH1  ARG  62          1HH1      ARG  62  12.782   5.566   5.566
   98   1HH2  ARG  62          1HH2      ARG  62  10.979   2.850   2.850
   99   2HH2  ARG  62          2HH2      ARG  62  11.457   3.639   3.639
  100    H    ILE  63           H        ILE  63   9.040   8.092   8.092
  101    HA   ILE  63           HA       ILE  63  11.448   8.585   8.585
  102    HB   ILE  63           HB       ILE  63   9.667   8.775   8.775
  103   1HG1  ILE  63          2HG1      ILE  63   7.645   7.323   7.323
  104   2HG1  ILE  63          1HG1      ILE  63   7.922   7.554   7.554
  105   1HG2  ILE  63          1HG2      ILE  63  10.213   6.208   6.208
  106   2HG2  ILE  63          3HG2      ILE  63   9.653   6.291   6.291
  107   3HG2  ILE  63          2HG2      ILE  63  11.234   6.922   6.922
  108   1HD1  ILE  63          3HD1      ILE  63   7.681  10.053  10.053
  109   2HD1  ILE  63          2HD1      ILE  63   7.353   9.741   9.741
  110   3HD1  ILE  63          1HD1      ILE  63   6.267   9.157   9.157
  111    H    LEU  64           H        LEU  64   8.817  10.662  10.662
  112    HA   LEU  64           HA       LEU  64   9.480  12.846  12.846
  113   1HB   LEU  64          2HB       LEU  64   7.222  12.385  12.385
  114   2HB   LEU  64          1HB       LEU  64   7.940  12.394  12.394
  115    HG   LEU  64           HG       LEU  64   8.453  14.681  14.681
  116   1HD1  LEU  64          2HD1      LEU  64   7.076  14.594  14.594
  117   2HD1  LEU  64          1HD1      LEU  64   7.563  16.073  16.073
  118   3HD1  LEU  64          3HD1      LEU  64   8.779  14.928  14.928
  119   1HD2  LEU  64          2HD2      LEU  64   5.534  14.062  14.062
  120   2HD2  LEU  64          1HD2      LEU  64   6.229  14.053  14.053
  121   3HD2  LEU  64          3HD2      LEU  64   6.067  15.563  15.563
  122    H    GLN  65           H        GLN  65  10.529  11.721  11.721
  123    HA   GLN  65           HA       GLN  65  12.064  14.205  14.205
  124   1HB   GLN  65          2HB       GLN  65  11.694  11.564  11.564
  125   2HB   GLN  65          1HB       GLN  65  13.169  12.445  12.445
  126   1HG   GLN  65          2HG       GLN  65  11.484  13.157  13.157
  127   2HG   GLN  65          1HG       GLN  65  11.789  14.491  14.491
  128   1HE2  GLN  65          2HE2      GLN  65   8.469  14.037  14.037
  129   2HE2  GLN  65          1HE2      GLN  65  10.064  14.172  14.172
  130    H    GLN  66           H        GLN  66  12.710  10.857  10.857
  131    HA   GLN  66           HA       GLN  66  15.463  11.107  11.107
  132   1HB   GLN  66          2HB       GLN  66  13.213   9.534   9.534
  133   2HB   GLN  66          1HB       GLN  66  14.844   9.260   9.260
  134   1HG   GLN  66          2HG       GLN  66  15.579   8.694   8.694
  135   2HG   GLN  66          1HG       GLN  66  13.989   9.081   9.081
  136   1HE2  GLN  66          2HE2      GLN  66  12.644   5.950   5.950
  137   2HE2  GLN  66          1HE2      GLN  66  12.374   7.501   7.501
  138    H    LEU  67           H        LEU  67  12.816  11.984  11.984
  139    HA   LEU  67           HA       LEU  67  14.684  12.799  12.799
  140   1HB   LEU  67          2HB       LEU  67  11.661  13.277  13.277
  141   2HB   LEU  67          1HB       LEU  67  12.515  13.613  13.613
  142    HG   LEU  67           HG       LEU  67  12.550  10.863  10.863
  143   1HD1  LEU  67          3HD1      LEU  67  10.788  11.821  11.821
  144   2HD1  LEU  67          2HD1      LEU  67  10.864  10.167  10.167
  145   3HD1  LEU  67          1HD1      LEU  67  10.215  11.428  11.428
  146   1HD2  LEU  67          3HD2      LEU  67  13.269  11.721  11.721
  147   2HD2  LEU  67          2HD2      LEU  67  14.432  11.288  11.288
  148   3HD2  LEU  67          1HD2      LEU  67  13.335  10.080  10.080
  149    H    LEU  68           H        LEU  68  12.919  14.379  14.379
  150    HA   LEU  68           HA       LEU  68  13.588  17.032  17.032
  151   1HB   LEU  68          2HB       LEU  68  12.596  15.768  15.768
  152   2HB   LEU  68          1HB       LEU  68  13.787  16.990  16.990
  153    HG   LEU  68           HG       LEU  68  12.617  18.416  18.416
  154   1HD1  LEU  68          3HD1      LEU  68  11.145  16.794  16.794
  155   2HD1  LEU  68          2HD1      LEU  68  10.340  16.460  16.460
  156   3HD1  LEU  68          1HD1      LEU  68  10.143  18.022  18.022
  157   1HD2  LEU  68          1HD2      LEU  68  11.210  17.740  17.740
  158   2HD2  LEU  68          3HD2      LEU  68  12.506  18.911  18.911
  159   3HD2  LEU  68          2HD2      LEU  68  10.921  19.223  19.223
  160    H    PHE  69           H        PHE  69  15.235  14.437  14.437
  161    HA   PHE  69           HA       PHE  69  17.619  15.965  15.965
  162   1HB   PHE  69          2HB       PHE  69  17.494  12.948  12.948
  163   2HB   PHE  69          1HB       PHE  69  18.747  13.764  13.764
  164    HD1  PHE  69           HD1      PHE  69  16.286  15.482  15.482
  165    HD2  PHE  69           HD2      PHE  69  17.460  11.407  11.407
  166    HE1  PHE  69           HE1      PHE  69  15.161  14.942  14.942
  167    HE2  PHE  69           HE2      PHE  69  16.324  10.872  10.872
  168    HZ   PHE  69           HZ       PHE  69  15.169  12.630  12.630
  169    H    ILE  70           H        ILE  70  16.751  13.888  13.888
  170    HA   ILE  70           HA       ILE  70  19.067  14.046  14.046
  171    HB   ILE  70           HB       ILE  70  16.168  13.701  13.701
  172   1HG1  ILE  70          2HG1      ILE  70  17.063  11.815  11.815
  173   2HG1  ILE  70          1HG1      ILE  70  18.695  12.374  12.374
  174   1HG2  ILE  70          2HG2      ILE  70  17.893  14.549  14.549
  175   2HG2  ILE  70          1HG2      ILE  70  16.298  13.829  13.829
  176   3HG2  ILE  70          3HG2      ILE  70  16.483  15.404  15.404
  177   1HD1  ILE  70          2HD1      ILE  70  18.229  11.996  11.996
  178   2HD1  ILE  70          1HD1      ILE  70  16.644  11.376  11.376
  179   3HD1  ILE  70          3HD1      ILE  70  18.087  10.529  10.529
  180    H    HIS  71           H        HIS  71  16.608  16.562  16.562
  181    HA   HIS  71           HA       HIS  71  17.558  18.357  18.357
  182   1HB   HIS  71          2HB       HIS  71  15.543  19.051  19.051
  183   2HB   HIS  71          1HB       HIS  71  16.159  18.712  18.712
  184    HD1  HIS  71           HD1      HIS  71  15.964  21.507  21.507
  185    HD2  HIS  71           HD2      HIS  71  18.064  20.401  20.401
  186    HE1  HIS  71           HE1      HIS  71  17.068  23.531  23.531
  187    H    PHE  72           H        PHE  72  18.572  18.048  18.048
  188    HA   PHE  72           HA       PHE  72  20.573  20.082  20.082
  189   1HB   PHE  72          2HB       PHE  72  19.545  19.069  19.069
  190   2HB   PHE  72          1HB       PHE  72  20.410  17.580  17.580
  191    HD1  PHE  72           HD1      PHE  72  21.031  21.257  21.257
  192    HD2  PHE  72           HD2      PHE  72  22.608  17.317  17.317
  193    HE1  PHE  72           HE1      PHE  72  23.010  22.166  22.166
  194    HE2  PHE  72           HE2      PHE  72  24.578  18.240  18.240
  195    HZ   PHE  72           HZ       PHE  72  24.778  20.664  20.664
  196    H    ARG  73           H        ARG  73  20.564  17.001  17.001
  197    HA   ARG  73           HA       ARG  73  23.495  16.665  16.665
  198   1HB   ARG  73          2HB       ARG  73  21.291  14.956  14.956
  199   2HB   ARG  73          1HB       ARG  73  22.888  14.420  14.420
  200   1HG   ARG  73          2HG       ARG  73  22.111  15.297  15.297
  201   2HG   ARG  73          1HG       ARG  73  20.556  15.282  15.282
  202   1HD   ARG  73          2HD       ARG  73  20.822  12.869  12.869
  203   2HD   ARG  73          1HD       ARG  73  22.332  12.842  12.842
  204    HE   ARG  73           HE       ARG  73  19.793  13.680  13.680
  205   1HH1  ARG  73          1HH2      ARG  73  22.181  13.571  13.571
  206   2HH1  ARG  73          2HH2      ARG  73  22.159  11.997  11.997
  207   1HH2  ARG  73          2HH1      ARG  73  19.821  10.829  10.829
  208   2HH2  ARG  73          1HH1      ARG  73  20.733  10.362  10.362
  209    H    ILE  74           H        ILE  74  20.715  17.238  17.238
  210    HA   ILE  74           HA       ILE  74  21.880  17.498  17.498
  211    HB   ILE  74           HB       ILE  74  19.299  18.379  18.379
  212   1HG1  ILE  74          2HG1      ILE  74  19.854  16.557  16.557
  213   2HG1  ILE  74          1HG1      ILE  74  19.652  16.048  16.048
  214   1HG2  ILE  74          1HG2      ILE  74  19.839  20.253  20.253
  215   2HG2  ILE  74          3HG2      ILE  74  19.980  19.078  19.078
  216   3HG2  ILE  74          2HG2      ILE  74  18.430  19.363  19.363
  217   1HD1  ILE  74          3HD1      ILE  74  17.320  16.947  16.947
  218   2HD1  ILE  74          2HD1      ILE  74  17.514  17.445  17.445
  219   3HD1  ILE  74          1HD1      ILE  74  17.567  15.749  15.749
  220    H    GLY  75           H        GLY  75  21.532  19.699  19.699
  221   1HA   GLY  75          2HA       GLY  75  22.564  21.999  21.999
  222   2HA   GLY  75          1HA       GLY  75  22.395  21.923  21.923
  223    H    CYS  76           H        CYS  76  23.890  19.987  19.987
  224    HA   CYS  76           HA       CYS  76  26.547  20.821  20.821
  225   1HB   CYS  76          2HB       CYS  76  25.569  19.211  19.211
  226   2HB   CYS  76          1HB       CYS  76  25.437  18.006  18.006
  227    HG   CYS  76           HG       CYS  76  27.874  17.457  17.457
  228    H    ARG  77           H        ARG  77  25.500  17.933  17.933
  229    HA   ARG  77           HA       ARG  77  27.818  17.452  17.452
  230   1HB   ARG  77          2HB       ARG  77  24.918  16.793  16.793
  231   2HB   ARG  77          1HB       ARG  77  25.836  16.675  16.675
  232   1HG   ARG  77          2HG       ARG  77  25.786  14.488  14.488
  233   2HG   ARG  77          1HG       ARG  77  27.407  15.082  15.082
  234   1HD   ARG  77          2HD       ARG  77  27.069  15.412  15.412
  235   2HD   ARG  77          1HD       ARG  77  25.315  15.250  15.250
  236    HE   ARG  77           HE       ARG  77  25.882  12.843  12.843
  237   1HH1  ARG  77          1HH2      ARG  77  28.782  13.056  13.056
  238   2HH1  ARG  77          2HH2      ARG  77  28.994  12.351  12.351
  239   1HH2  ARG  77          2HH1      ARG  77  25.571  12.669  12.669
  240   2HH2  ARG  77          1HH1      ARG  77  27.087  12.108  12.108
  241    H    HIS  78           H        HIS  78  25.373  19.898  19.898
  242    HA   HIS  78           HA       HIS  78  26.715  20.580  20.580
  243   1HB   HIS  78          2HB       HIS  78  24.032  21.465  21.465
  244   2HB   HIS  78          1HB       HIS  78  24.690  22.027  22.027
  245    HD1  HIS  78           HD1      HIS  78  23.836  20.651  20.651
  246    HD2  HIS  78           HD2      HIS  78  24.067  18.528  18.528
  247    HE1  HIS  78           HE1      HIS  78  22.996  18.321  18.321
  248    H    SER  79           H        SER  79  26.887  21.485  21.485
  249    HA   SER  79           HA       SER  79  27.626  24.298  24.298
  250   1HB   SER  79          2HB       SER  79  25.603  24.052  24.052
  251   2HB   SER  79          1HB       SER  79  26.573  23.190  23.190
  252    HG   SER  79           HG       SER  79  28.010  25.235  25.235
  253    H    ARG  80           H        ARG  80  29.180  21.571  21.571
  254    HA   ARG  80           HA       ARG  80  31.330  22.740  22.740
  255   1HB   ARG  80          2HB       ARG  80  30.104  20.688  20.688
  256   2HB   ARG  80          1HB       ARG  80  30.740  19.796  19.796
  257   1HG   ARG  80          2HG       ARG  80  32.188  19.348  19.348
  258   2HG   ARG  80          1HG       ARG  80  33.089  20.398  20.398
  259   1HD   ARG  80          2HD       ARG  80  32.520  22.371  22.371
  260   2HD   ARG  80          1HD       ARG  80  31.528  21.352  21.352
  261    HE   ARG  80           HE       ARG  80  33.508  20.371  20.371
  262   1HH1  ARG  80          2HH1      ARG  80  35.435  19.785  19.785
  263   2HH1  ARG  80          1HH1      ARG  80  36.557  21.097  21.097
  264   1HH2  ARG  80          1HH2      ARG  80  34.252  23.306  23.306
  265   2HH2  ARG  80          2HH2      ARG  80  35.852  23.188  23.188
  266    H    ILE  81           H        ILE  81  32.120  23.799  23.799
  267    HA   ILE  81           HA       ILE  81  33.679  21.844  21.844
  268    HB   ILE  81           HB       ILE  81  32.743  24.624  24.624
  269   1HG1  ILE  81          2HG1      ILE  81  31.349  21.888  21.888
  270   2HG1  ILE  81          1HG1      ILE  81  30.732  23.215  23.215
  271   1HG2  ILE  81          2HG2      ILE  81  34.604  23.506  23.506
  272   2HG2  ILE  81          1HG2      ILE  81  33.587  22.098  22.098
  273   3HG2  ILE  81          3HG2      ILE  81  33.155  23.637  23.637
  274   1HD1  ILE  81          2HD1      ILE  81  30.519  24.624  24.624
  275   2HD1  ILE  81          1HD1      ILE  81  31.097  23.286  23.286
  276   3HD1  ILE  81          3HD1      ILE  81  29.582  23.146  23.146
  277    H    GLY  82           H        GLY  82  34.402  22.960  22.960
  278   1HA   GLY  82          2HA       GLY  82  36.381  23.730  23.730
  279   2HA   GLY  82          1HA       GLY  82  37.098  23.858  23.858
  280   1HN   NH2  83          1HT       GLY  82  35.690  25.854  25.854
  281   2HN   NH2  83          2HT       GLY  82  35.749  27.288  27.288

  Start of MODEL    3
    1   1H    ACE  50          1HA       ACE  50   5.354  -0.582  -0.582
    2   2H    ACE  50          2HA       ACE  50   6.032  -1.673  -1.673
    3   3H    ACE  50          3HA       ACE  50   5.276  -0.151  -0.151
    4    H    TYR  50           H        TYR  50   4.582  -2.901  -2.901
    5    HA   TYR  50           HA       TYR  50   2.049  -3.508  -3.508
    6   1HB   TYR  50          2HB       TYR  50   3.223  -4.699  -4.699
    7   2HB   TYR  50          1HB       TYR  50   1.968  -5.408  -5.408
    8    HD1  TYR  50           HD2      TYR  50   2.733  -5.392  -5.392
    9    HD2  TYR  50           HD1      TYR  50   5.339  -5.702  -5.702
   10    HE1  TYR  50           HE2      TYR  50   4.426  -6.458  -6.458
   11    HE2  TYR  50           HE1      TYR  50   7.026  -6.771  -6.771
   12    HH   TYR  50           HH       TYR  50   6.376  -7.989  -7.989
   13    H    GLY  51           H        GLY  51   1.256  -1.312  -1.312
   14   1HA   GLY  51          2HA       GLY  51  -0.614  -1.327  -1.327
   15   2HA   GLY  51          1HA       GLY  51   0.617  -0.063  -0.063
   16    H    ASP  52           H        ASP  52  -1.991   0.829   0.829
   17    HA   ASP  52           HA       ASP  52  -2.496   1.293   1.293
   18   1HB   ASP  52          2HB       ASP  52  -4.649   2.268   2.268
   19   2HB   ASP  52          1HB       ASP  52  -4.405   0.679   0.679
   20    H    THR  53           H        THR  53  -3.599   3.909   3.909
   21    HA   THR  53           HA       THR  53  -2.322   5.906   5.906
   22    HB   THR  53           HB       THR  53  -2.907   6.034   6.034
   23    HG1  THR  53           HG1      THR  53  -4.823   5.367   5.367
   24   1HG2  THR  53          2HG2      THR  53  -2.153   8.161   8.161
   25   2HG2  THR  53          1HG2      THR  53  -3.540   7.884   7.884
   26   3HG2  THR  53          3HG2      THR  53  -3.778   8.255   8.255
   27    H    TRP  54           H        TRP  54  -0.729   4.330   4.330
   28    HA   TRP  54           HA       TRP  54   1.341   6.310   6.310
   29   1HB   TRP  54          2HB       TRP  54   1.282   5.024   5.024
   30   2HB   TRP  54          1HB       TRP  54   0.995   3.512   3.512
   31    HD1  TRP  54           HD1      TRP  54   2.972   2.015   2.015
   32    HE1  TRP  54           HE1      TRP  54   5.508   2.199   2.199
   33    HE3  TRP  54           HE3      TRP  54   3.317   7.022   7.022
   34    HZ2  TRP  54           HZ2      TRP  54   7.373   4.193   4.193
   35    HZ3  TRP  54           HZ3      TRP  54   5.557   8.065   8.065
   36    HH2  TRP  54           HH2      TRP  54   7.578   6.651   6.651
   37    H    ALA  55           H        ALA  55   1.584   2.973   2.973
   38    HA   ALA  55           HA       ALA  55   4.040   3.148   3.148
   39   1HB   ALA  55          3HB       ALA  55   1.659   1.387   1.387
   40   2HB   ALA  55          2HB       ALA  55   3.310   1.102   1.102
   41   3HB   ALA  55          1HB       ALA  55   2.883   0.973   0.973
   42    H    GLY  56           H        GLY  56   0.811   3.491   3.491
   43   1HA   GLY  56          2HA       GLY  56   1.205   3.986   3.986
   44   2HA   GLY  56          1HA       GLY  56  -0.082   4.749   4.749
   45    H    VAL  57           H        VAL  57   1.480   6.242   6.242
   46    HA   VAL  57           HA       VAL  57   2.281   8.423   8.423
   47    HB   VAL  57           HB       VAL  57   2.090   8.147   8.147
   48   1HG1  VAL  57          2HG1      VAL  57   2.750  10.669  10.669
   49   2HG1  VAL  57          1HG1      VAL  57   2.476  10.620  10.620
   50   3HG1  VAL  57          3HG1      VAL  57   3.878   9.827   9.827
   51   1HG2  VAL  57          2HG2      VAL  57  -0.074   8.271   8.271
   52   2HG2  VAL  57          1HG2      VAL  57   0.150   9.687   9.687
   53   3HG2  VAL  57          3HG2      VAL  57   0.465   9.768   9.768
   54    H    GLU  58           H        GLU  58   3.985   6.299   6.299
   55    HA   GLU  58           HA       GLU  58   6.466   7.733   7.733
   56   1HB   GLU  58          2HB       GLU  58   6.182   5.890   5.890
   57   2HB   GLU  58          1HB       GLU  58   5.933   4.722   4.722
   58   1HG   GLU  58          2HG       GLU  58   8.533   6.229   6.229
   59   2HG   GLU  58          1HG       GLU  58   8.349   5.156   5.156
   60    H    ALA  59           H        ALA  59   4.701   5.553   5.553
   61    HA   ALA  59           HA       ALA  59   6.780   5.009   5.009
   62   1HB   ALA  59          2HB       ALA  59   4.898   3.477   3.477
   63   2HB   ALA  59          1HB       ALA  59   3.772   4.708   4.708
   64   3HB   ALA  59          3HB       ALA  59   4.938   4.008   4.008
   65    H    ILE  60           H        ILE  60   4.225   7.442   7.442
   66    HA   ILE  60           HA       ILE  60   4.843   8.313   8.313
   67    HB   ILE  60           HB       ILE  60   3.198  10.156  10.156
   68   1HG1  ILE  60          2HG1      ILE  60   2.027   8.846   8.846
   69   2HG1  ILE  60          1HG1      ILE  60   3.535   9.665   9.665
   70   1HG2  ILE  60          3HG2      ILE  60   2.209   7.304   7.304
   71   2HG2  ILE  60          2HG2      ILE  60   1.194   8.634   8.634
   72   3HG2  ILE  60          1HG2      ILE  60   2.484   8.051   8.051
   73   1HD1  ILE  60          2HD1      ILE  60   2.705  11.729  11.729
   74   2HD1  ILE  60          1HD1      ILE  60   1.154  10.936  10.936
   75   3HD1  ILE  60          3HD1      ILE  60   1.699  11.217  11.217
   76    H    ILE  61           H        ILE  61   5.580   9.078   9.078
   77    HA   ILE  61           HA       ILE  61   6.789  11.592  11.592
   78    HB   ILE  61           HB       ILE  61   5.918  10.238  10.238
   79   1HG1  ILE  61          2HG1      ILE  61   6.835  12.996  12.996
   80   2HG1  ILE  61          1HG1      ILE  61   5.192  12.416  12.416
   81   1HG2  ILE  61          3HG2      ILE  61   8.236   9.580   9.580
   82   2HG2  ILE  61          2HG2      ILE  61   8.753  11.258  11.258
   83   3HG2  ILE  61          1HG2      ILE  61   7.672  10.727  10.727
   84   1HD1  ILE  61          1HD1      ILE  61   5.238  11.960  11.960
   85   2HD1  ILE  61          3HD1      ILE  61   6.855  12.651  12.651
   86   3HD1  ILE  61          2HD1      ILE  61   5.496  13.656  13.656
   87    H    ARG  62           H        ARG  62   7.828   8.297   8.297
   88    HA   ARG  62           HA       ARG  62  10.619   8.738   8.738
   89   1HB   ARG  62          2HB       ARG  62   9.699   6.533   6.533
   90   2HB   ARG  62          1HB       ARG  62   9.045   6.383   6.383
   91   1HG   ARG  62          2HG       ARG  62  11.109   5.846   5.846
   92   2HG   ARG  62          1HG       ARG  62  12.024   6.724   6.724
   93   1HD   ARG  62          2HD       ARG  62  12.386   4.326   4.326
   94   2HD   ARG  62          1HD       ARG  62  11.439   4.907   4.907
   95    HE   ARG  62           HE       ARG  62   9.420   3.996   3.996
   96   1HH1  ARG  62          1HH2      ARG  62  10.694   2.616   2.616
   97   2HH1  ARG  62          2HH2      ARG  62  11.079   1.048   1.048
   98   1HH2  ARG  62          2HH1      ARG  62  10.723   2.096   2.096
   99   2HH2  ARG  62          1HH1      ARG  62  11.109   0.746   0.746
  100    H    ILE  63           H        ILE  63   8.887   8.087   8.087
  101    HA   ILE  63           HA       ILE  63  11.230   8.591   8.591
  102    HB   ILE  63           HB       ILE  63   9.423   8.607   8.607
  103   1HG1  ILE  63          2HG1      ILE  63   7.303   7.409   7.409
  104   2HG1  ILE  63          1HG1      ILE  63   7.672   7.572   7.572
  105   1HG2  ILE  63          2HG2      ILE  63  10.883   6.693   6.693
  106   2HG2  ILE  63          1HG2      ILE  63   9.805   6.181   6.181
  107   3HG2  ILE  63          3HG2      ILE  63   9.268   6.127   6.127
  108   1HD1  ILE  63          2HD1      ILE  63   7.258   9.916   9.916
  109   2HD1  ILE  63          1HD1      ILE  63   6.064   9.281   9.281
  110   3HD1  ILE  63          3HD1      ILE  63   7.499  10.008  10.008
  111    H    LEU  64           H        LEU  64   8.703  10.721  10.721
  112    HA   LEU  64           HA       LEU  64   9.297  12.818  12.818
  113   1HB   LEU  64          2HB       LEU  64   7.081  12.467  12.467
  114   2HB   LEU  64          1HB       LEU  64   7.872  12.524  12.524
  115    HG   LEU  64           HG       LEU  64   8.471  14.768  14.768
  116   1HD1  LEU  64          1HD1      LEU  64   6.919  14.565  14.565
  117   2HD1  LEU  64          3HD1      LEU  64   7.501  16.081  16.081
  118   3HD1  LEU  64          2HD1      LEU  64   8.644  14.866  14.866
  119   1HD2  LEU  64          1HD2      LEU  64   5.505  14.234  14.234
  120   2HD2  LEU  64          3HD2      LEU  64   6.306  14.297  14.297
  121   3HD2  LEU  64          2HD2      LEU  64   6.141  15.757  15.757
  122    H    GLN  65           H        GLN  65  10.541  11.676  11.676
  123    HA   GLN  65           HA       GLN  65  12.150  14.133  14.133
  124   1HB   GLN  65          2HB       GLN  65  11.712  11.532  11.532
  125   2HB   GLN  65          1HB       GLN  65  13.244  12.330  12.330
  126   1HG   GLN  65          2HG       GLN  65  11.663  13.139  13.139
  127   2HG   GLN  65          1HG       GLN  65  11.984  14.453  14.453
  128   1HE2  GLN  65          2HE2      GLN  65   8.613  14.193  14.193
  129   2HE2  GLN  65          1HE2      GLN  65  10.197  14.378  14.378
  130    H    GLN  66           H        GLN  66  12.720  10.717  10.717
  131    HA   GLN  66           HA       GLN  66  15.432  10.895  10.895
  132   1HB   GLN  66          2HB       GLN  66  13.150   9.204   9.204
  133   2HB   GLN  66          1HB       GLN  66  14.783   8.859   8.859
  134   1HG   GLN  66          2HG       GLN  66  15.478   8.542   8.542
  135   2HG   GLN  66          1HG       GLN  66  13.842   8.898   8.898
  136   1HE2  GLN  66          2HE2      GLN  66  12.632   5.815   5.815
  137   2HE2  GLN  66          1HE2      GLN  66  12.223   7.469   7.469
  138    H    LEU  67           H        LEU  67  12.691  11.623  11.623
  139    HA   LEU  67           HA       LEU  67  14.451  12.101  12.101
  140   1HB   LEU  67          2HB       LEU  67  11.464  12.634  12.634
  141   2HB   LEU  67          1HB       LEU  67  12.282  12.750  12.750
  142    HG   LEU  67           HG       LEU  67  12.345  10.208  10.208
  143   1HD1  LEU  67          2HD1      LEU  67   9.993  10.715  10.715
  144   2HD1  LEU  67          1HD1      LEU  67  10.518  10.857  10.857
  145   3HD1  LEU  67          3HD1      LEU  67  10.603   9.307   9.307
  146   1HD2  LEU  67          3HD2      LEU  67  12.968  10.668  10.668
  147   2HD2  LEU  67          2HD2      LEU  67  14.167  10.395  10.395
  148   3HD2  LEU  67          1HD2      LEU  67  13.044   9.125   9.125
  149    H    LEU  68           H        LEU  68  12.873  14.026  14.026
  150    HA   LEU  68           HA       LEU  68  13.441  16.539  16.539
  151   1HB   LEU  68          2HB       LEU  68  11.684  16.413  16.413
  152   2HB   LEU  68          1HB       LEU  68  12.768  15.598  15.598
  153    HG   LEU  68           HG       LEU  68  14.107  17.509  17.509
  154   1HD1  LEU  68          2HD1      LEU  68  12.071  18.965  18.965
  155   2HD1  LEU  68          1HD1      LEU  68  13.328  19.783  19.783
  156   3HD1  LEU  68          3HD1      LEU  68  13.767  18.696  18.696
  157   1HD2  LEU  68          1HD2      LEU  68  11.134  18.050  18.050
  158   2HD2  LEU  68          3HD2      LEU  68  12.224  17.198  17.198
  159   3HD2  LEU  68          2HD2      LEU  68  12.431  18.919  18.919
  160    H    PHE  69           H        PHE  69  15.207  14.078  14.078
  161    HA   PHE  69           HA       PHE  69  17.319  15.841  15.841
  162   1HB   PHE  69          2HB       PHE  69  17.346  12.871  12.871
  163   2HB   PHE  69          1HB       PHE  69  18.655  13.705  13.705
  164    HD1  PHE  69           HD2      PHE  69  16.023  15.281  15.281
  165    HD2  PHE  69           HD1      PHE  69  17.689  11.376  11.376
  166    HE1  PHE  69           HE2      PHE  69  15.028  14.655  14.655
  167    HE2  PHE  69           HE1      PHE  69  16.684  10.745  10.745
  168    HZ   PHE  69           HZ       PHE  69  15.352  12.382  12.382
  169    H    ILE  70           H        ILE  70  16.685  14.010  14.010
  170    HA   ILE  70           HA       ILE  70  19.185  14.084  14.084
  171    HB   ILE  70           HB       ILE  70  16.533  14.620  14.620
  172   1HG1  ILE  70          2HG1      ILE  70  16.122  12.835  12.835
  173   2HG1  ILE  70          1HG1      ILE  70  16.222  12.123  12.123
  174   1HG2  ILE  70          1HG2      ILE  70  18.619  14.633  14.633
  175   2HG2  ILE  70          3HG2      ILE  70  19.026  13.030  13.030
  176   3HG2  ILE  70          2HG2      ILE  70  17.597  13.276  13.276
  177   1HD1  ILE  70          1HD1      ILE  70  18.600  11.424  11.424
  178   2HD1  ILE  70          3HD1      ILE  70  18.335  12.133  12.133
  179   3HD1  ILE  70          2HD1      ILE  70  17.383  10.763  10.763
  180    H    HIS  71           H        HIS  71  16.786  16.612  16.612
  181    HA   HIS  71           HA       HIS  71  17.916  18.482  18.482
  182   1HB   HIS  71          2HB       HIS  71  15.925  19.353  19.353
  183   2HB   HIS  71          1HB       HIS  71  16.092  18.538  18.538
  184    HD1  HIS  71           HD1      HIS  71  16.249  21.868  21.868
  185    HD2  HIS  71           HD2      HIS  71  18.091  19.719  19.719
  186    HE1  HIS  71           HE1      HIS  71  17.245  23.479  23.479
  187    H    PHE  72           H        PHE  72  18.829  17.641  17.641
  188    HA   PHE  72           HA       PHE  72  20.876  19.701  19.701
  189   1HB   PHE  72          2HB       PHE  72  19.639  18.681  18.681
  190   2HB   PHE  72          1HB       PHE  72  20.494  17.184  17.184
  191    HD1  PHE  72           HD2      PHE  72  20.929  20.711  20.711
  192    HD2  PHE  72           HD1      PHE  72  22.856  16.947  16.947
  193    HE1  PHE  72           HE2      PHE  72  22.869  21.529  21.529
  194    HE2  PHE  72           HE1      PHE  72  24.787  17.764  17.764
  195    HZ   PHE  72           HZ       PHE  72  24.803  20.060  20.060
  196    H    ARG  73           H        ARG  73  20.731  16.640  16.640
  197    HA   ARG  73           HA       ARG  73  23.671  16.249  16.249
  198   1HB   ARG  73          2HB       ARG  73  21.427  14.555  14.555
  199   2HB   ARG  73          1HB       ARG  73  23.075  14.025  14.025
  200   1HG   ARG  73          2HG       ARG  73  22.573  14.930  14.930
  201   2HG   ARG  73          1HG       ARG  73  20.921  14.875  14.875
  202   1HD   ARG  73          2HD       ARG  73  21.134  12.463  12.463
  203   2HD   ARG  73          1HD       ARG  73  22.802  12.473  12.473
  204    HE   ARG  73           HE       ARG  73  21.747  13.215  13.215
  205   1HH1  ARG  73          1HH2      ARG  73  19.181  12.707  12.707
  206   2HH1  ARG  73          2HH2      ARG  73  18.577  11.239  11.239
  207   1HH2  ARG  73          2HH1      ARG  73  21.654  10.714  10.714
  208   2HH2  ARG  73          1HH1      ARG  73  20.078  10.058  10.058
  209    H    ILE  74           H        ILE  74  21.134  17.409  17.409
  210    HA   ILE  74           HA       ILE  74  22.567  17.388  17.388
  211    HB   ILE  74           HB       ILE  74  19.772  18.217  18.217
  212   1HG1  ILE  74          2HG1      ILE  74  20.698  16.371  16.371
  213   2HG1  ILE  74          1HG1      ILE  74  20.274  15.869  15.869
  214   1HG2  ILE  74          1HG2      ILE  74  20.933  18.829  18.829
  215   2HG2  ILE  74          3HG2      ILE  74  19.265  19.121  19.121
  216   3HG2  ILE  74          2HG2      ILE  74  20.552  20.048  20.048
  217   1HD1  ILE  74          1HD1      ILE  74  17.941  16.755  16.755
  218   2HD1  ILE  74          3HD1      ILE  74  18.376  17.263  17.263
  219   3HD1  ILE  74          2HD1      ILE  74  18.352  15.563  15.563
  220    H    GLY  75           H        GLY  75  21.225  19.970  19.970
  221   1HA   GLY  75          2HA       GLY  75  22.330  22.169  22.169
  222   2HA   GLY  75          1HA       GLY  75  22.122  22.083  22.083
  223    H    CYS  76           H        CYS  76  23.982  21.043  21.043
  224    HA   CYS  76           HA       CYS  76  26.392  22.452  22.452
  225   1HB   CYS  76          2HB       CYS  76  27.354  21.276  21.276
  226   2HB   CYS  76          1HB       CYS  76  25.813  21.995  21.995
  227    HG   CYS  76           HG       CYS  76  26.440  18.991  18.991
  228    H    ARG  77           H        ARG  77  25.418  19.834  19.834
  229    HA   ARG  77           HA       ARG  77  28.243  18.857  18.857
  230   1HB   ARG  77          2HB       ARG  77  26.271  17.279  17.279
  231   2HB   ARG  77          1HB       ARG  77  25.829  17.215  17.215
  232   1HG   ARG  77          2HG       ARG  77  27.715  16.133  16.133
  233   2HG   ARG  77          1HG       ARG  77  28.729  16.757  16.757
  234   1HD   ARG  77          2HD       ARG  77  28.468  14.524  14.524
  235   2HD   ARG  77          1HD       ARG  77  27.113  15.263  15.263
  236    HE   ARG  77           HE       ARG  77  25.690  14.476  14.476
  237   1HH1  ARG  77          1HH2      ARG  77  27.904  13.457  13.457
  238   2HH1  ARG  77          2HH2      ARG  77  27.947  11.759  11.759
  239   1HH2  ARG  77          2HH1      ARG  77  26.014  12.193  12.193
  240   2HH2  ARG  77          1HH1      ARG  77  26.824  11.010  11.010
  241    H    HIS  78           H        HIS  78  25.229  19.519  19.519
  242    HA   HIS  78           HA       HIS  78  26.150  19.317  19.317
  243   1HB   HIS  78          2HB       HIS  78  23.763  18.876  18.876
  244   2HB   HIS  78          1HB       HIS  78  23.560  20.611  20.611
  245    HD1  HIS  78           HD1      HIS  78  22.687  17.778  17.778
  246    HD2  HIS  78           HD2      HIS  78  24.423  21.399  21.399
  247    HE1  HIS  78           HE1      HIS  78  22.350  18.184  18.184
  248    H    SER  79           H        SER  79  25.954  21.733  21.733
  249    HA   SER  79           HA       SER  79  26.873  23.808  23.808
  250   1HB   SER  79          2HB       SER  79  24.553  24.264  24.264
  251   2HB   SER  79          1HB       SER  79  25.173  24.244  24.244
  252    HG   SER  79           HG       SER  79  25.245  26.254  26.254
  253    H    ARG  80           H        ARG  80  27.085  25.399  25.399
  254    HA   ARG  80           HA       ARG  80  28.846  26.141  26.141
  255   1HB   ARG  80          2HB       ARG  80  28.154  23.663  23.663
  256   2HB   ARG  80          1HB       ARG  80  29.765  23.248  23.248
  257   1HG   ARG  80          2HG       ARG  80  29.625  25.762  25.762
  258   2HG   ARG  80          1HG       ARG  80  29.124  24.333  24.333
  259   1HD   ARG  80          2HD       ARG  80  31.792  24.402  24.402
  260   2HD   ARG  80          1HD       ARG  80  31.613  24.993  24.993
  261    HE   ARG  80           HE       ARG  80  30.938  22.188  22.188
  262   1HH1  ARG  80          1HH2      ARG  80  30.411  23.745  23.745
  263   2HH1  ARG  80          2HH2      ARG  80  31.583  22.994  22.994
  264   1HH2  ARG  80          2HH1      ARG  80  33.244  21.523  21.523
  265   2HH2  ARG  80          1HH1      ARG  80  33.235  21.662  21.662
  266    H    ILE  81           H        ILE  81  29.232  26.192  26.192
  267    HA   ILE  81           HA       ILE  81  31.747  25.077  25.077
  268    HB   ILE  81           HB       ILE  81  30.347  27.550  27.550
  269   1HG1  ILE  81          2HG1      ILE  81  29.761  24.595  24.595
  270   2HG1  ILE  81          1HG1      ILE  81  28.686  25.628  25.628
  271   1HG2  ILE  81          2HG2      ILE  81  32.617  26.986  26.986
  272   2HG2  ILE  81          1HG2      ILE  81  32.075  25.359  25.359
  273   3HG2  ILE  81          3HG2      ILE  81  31.410  26.739  26.739
  274   1HD1  ILE  81          3HD1      ILE  81  28.450  27.157  27.157
  275   2HD1  ILE  81          2HD1      ILE  81  29.481  26.103  26.103
  276   3HD1  ILE  81          1HD1      ILE  81  27.938  25.521  25.521
  277    H    GLY  82           H        GLY  82  32.892  25.695  25.695
  278   1HA   GLY  82          2HA       GLY  82  33.487  28.333  28.333
  279   2HA   GLY  82          1HA       GLY  82  34.561  26.959  26.959
  280   1HN   NH2  83          1HT       GLY  82  34.955  26.536  26.536
  281   2HN   NH2  83          2HT       GLY  82  35.958  27.823  27.823

  Start of MODEL    4
    1   1H    ACE  50          1HA       ACE  50  -5.278  -2.926  -2.926
    2   2H    ACE  50          2HA       ACE  50  -3.545  -2.601  -2.601
    3   3H    ACE  50          3HA       ACE  50  -4.615  -1.414  -1.414
    4    H    TYR  50           H        TYR  50  -6.368  -0.662  -0.662
    5    HA   TYR  50           HA       TYR  50  -7.148   0.494   0.494
    6   1HB   TYR  50          2HB       TYR  50  -5.430  -1.456  -1.456
    7   2HB   TYR  50          1HB       TYR  50  -6.730  -0.464  -0.464
    8    HD1  TYR  50           HD2      TYR  50  -9.093  -0.764  -0.764
    9    HD2  TYR  50           HD1      TYR  50  -5.933  -3.519  -3.519
   10    HE1  TYR  50           HE2      TYR  50 -10.725  -2.441  -2.441
   11    HE2  TYR  50           HE1      TYR  50  -7.575  -5.178  -5.178
   12    HH   TYR  50           HH       TYR  50 -10.014  -5.664  -5.664
   13    H    GLY  51           H        GLY  51  -3.779  -0.099  -0.099
   14   1HA   GLY  51          2HA       GLY  51  -3.352   2.423   2.423
   15   2HA   GLY  51          1HA       GLY  51  -2.066   1.379   1.379
   16    H    ASP  52           H        ASP  52  -4.245   2.181   2.181
   17    HA   ASP  52           HA       ASP  52  -2.789   3.192   3.192
   18   1HB   ASP  52          2HB       ASP  52  -5.479   4.321   4.321
   19   2HB   ASP  52          1HB       ASP  52  -4.775   4.614   4.614
   20    H    THR  53           H        THR  53  -4.201   5.547   5.547
   21    HA   THR  53           HA       THR  53  -2.803   7.742   7.742
   22    HB   THR  53           HB       THR  53  -3.550   7.472   7.472
   23    HG1  THR  53           HG1      THR  53  -5.631   8.239   8.239
   24   1HG2  THR  53          1HG2      THR  53  -4.043   9.683   9.683
   25   2HG2  THR  53          3HG2      THR  53  -4.349   9.806   9.806
   26   3HG2  THR  53          2HG2      THR  53  -2.707   9.708   9.708
   27    H    TRP  54           H        TRP  54  -1.688   5.459   5.459
   28    HA   TRP  54           HA       TRP  54   0.698   7.139   7.139
   29   1HB   TRP  54          2HB       TRP  54  -0.306   4.581   4.581
   30   2HB   TRP  54          1HB       TRP  54   1.418   4.914   4.914
   31    HD1  TRP  54           HD1      TRP  54  -1.454   5.547   5.547
   32    HE1  TRP  54           HE1      TRP  54  -1.198   7.589   7.589
   33    HE3  TRP  54           HE3      TRP  54   2.448   7.596   7.596
   34    HZ2  TRP  54           HZ2      TRP  54   0.449   9.785   9.785
   35    HZ3  TRP  54           HZ3      TRP  54   3.387   9.750   9.750
   36    HH2  TRP  54           HH2      TRP  54   2.372  10.825  10.825
   37    H    ALA  55           H        ALA  55   0.059   3.930   3.930
   38    HA   ALA  55           HA       ALA  55   2.710   3.319   3.319
   39   1HB   ALA  55          3HB       ALA  55   0.039   2.299   2.299
   40   2HB   ALA  55          2HB       ALA  55   1.601   1.538   1.538
   41   3HB   ALA  55          1HB       ALA  55   0.968   1.626   1.626
   42    H    GLY  56           H        GLY  56  -0.038   4.635   4.635
   43   1HA   GLY  56          2HA       GLY  56   1.232   4.775   4.775
   44   2HA   GLY  56          1HA       GLY  56  -0.136   5.770   5.770
   45    H    VAL  57           H        VAL  57   0.990   7.064   7.064
   46    HA   VAL  57           HA       VAL  57   2.604   9.011   9.011
   47    HB   VAL  57           HB       VAL  57   1.656   8.859   8.859
   48   1HG1  VAL  57          2HG1      VAL  57   2.766  11.284  11.284
   49   2HG1  VAL  57          1HG1      VAL  57   2.140  11.286  11.286
   50   3HG1  VAL  57          3HG1      VAL  57   3.613  10.418  10.418
   51   1HG2  VAL  57          1HG2      VAL  57  -0.196   9.034   9.034
   52   2HG2  VAL  57          3HG2      VAL  57  -0.084  10.492  10.492
   53   3HG2  VAL  57          2HG2      VAL  57   0.556  10.467  10.467
   54    H    GLU  58           H        GLU  58   3.370   6.590   6.590
   55    HA   GLU  58           HA       GLU  58   6.023   7.694   7.694
   56   1HB   GLU  58          2HB       GLU  58   4.677   5.789   5.789
   57   2HB   GLU  58          1HB       GLU  58   5.411   4.710   4.710
   58   1HG   GLU  58          2HG       GLU  58   6.823   6.544   6.544
   59   2HG   GLU  58          1HG       GLU  58   6.725   4.805   4.805
   60    H    ALA  59           H        ALA  59   4.396   5.695   5.695
   61    HA   ALA  59           HA       ALA  59   6.758   4.666   4.666
   62   1HB   ALA  59          1HB       ALA  59   3.901   4.944   4.944
   63   2HB   ALA  59          3HB       ALA  59   5.152   3.986   3.986
   64   3HB   ALA  59          2HB       ALA  59   4.582   3.541   3.541
   65    H    ILE  60           H        ILE  60   4.749   7.481   7.481
   66    HA   ILE  60           HA       ILE  60   6.151   8.121   8.121
   67    HB   ILE  60           HB       ILE  60   4.925  10.343  10.343
   68   1HG1  ILE  60          2HG1      ILE  60   3.053   9.306   9.306
   69   2HG1  ILE  60          1HG1      ILE  60   4.526   9.950   9.950
   70   1HG2  ILE  60          1HG2      ILE  60   4.016   8.454   8.454
   71   2HG2  ILE  60          3HG2      ILE  60   3.211   7.818   7.818
   72   3HG2  ILE  60          2HG2      ILE  60   2.706   9.353   9.353
   73   1HD1  ILE  60          3HD1      ILE  60   4.185  12.054  12.054
   74   2HD1  ILE  60          2HD1      ILE  60   2.651  11.411  11.411
   75   3HD1  ILE  60          1HD1      ILE  60   2.890  11.757  11.757
   76    H    ILE  61           H        ILE  61   6.101   8.975   8.975
   77    HA   ILE  61           HA       ILE  61   7.864  11.128  11.128
   78    HB   ILE  61           HB       ILE  61   6.851   9.177   9.177
   79   1HG1  ILE  61          2HG1      ILE  61   6.358  11.706  11.706
   80   2HG1  ILE  61          1HG1      ILE  61   6.549  11.009  11.009
   81   1HG2  ILE  61          2HG2      ILE  61   9.098   8.420   8.420
   82   2HG2  ILE  61          1HG2      ILE  61   9.626  10.068  10.068
   83   3HG2  ILE  61          3HG2      ILE  61   8.507   9.287   9.287
   84   1HD1  ILE  61          1HD1      ILE  61   8.790  12.472  12.472
   85   2HD1  ILE  61          3HD1      ILE  61   7.812  13.166  13.166
   86   3HD1  ILE  61          2HD1      ILE  61   8.894  11.836  11.836
   87    H    ARG  62           H        ARG  62   8.443   7.669   7.669
   88    HA   ARG  62           HA       ARG  62  11.325   7.680   7.680
   89   1HB   ARG  62          2HB       ARG  62   9.359   5.850   5.850
   90   2HB   ARG  62          1HB       ARG  62  11.078   5.532   5.532
   91   1HG   ARG  62          2HG       ARG  62   9.473   5.900   5.900
   92   2HG   ARG  62          1HG       ARG  62   9.731   4.328   4.328
   93   1HD   ARG  62          2HD       ARG  62  12.209   4.728   4.728
   94   2HD   ARG  62          1HD       ARG  62  11.876   6.272   6.272
   95    HE   ARG  62           HE       ARG  62  10.444   4.264   4.264
   96   1HH1  ARG  62          1HH2      ARG  62  12.961   2.826   2.826
   97   2HH1  ARG  62          2HH2      ARG  62  13.990   3.288   3.288
   98   1HH2  ARG  62          2HH1      ARG  62  11.924   6.037   6.037
   99   2HH2  ARG  62          1HH1      ARG  62  13.367   5.195   5.195
  100    H    ILE  63           H        ILE  63   9.313   8.155   8.155
  101    HA   ILE  63           HA       ILE  63  11.660   8.387   8.387
  102    HB   ILE  63           HB       ILE  63   8.942   9.280   9.280
  103   1HG1  ILE  63          2HG1      ILE  63   8.199   7.413   7.413
  104   2HG1  ILE  63          1HG1      ILE  63   8.219   6.858   6.858
  105   1HG2  ILE  63          3HG2      ILE  63  10.889   9.065   9.065
  106   2HG2  ILE  63          2HG2      ILE  63  11.054   7.373   7.373
  107   3HG2  ILE  63          1HG2      ILE  63   9.619   7.937   7.937
  108   1HD1  ILE  63          3HD1      ILE  63  10.433   6.223   6.223
  109   2HD1  ILE  63          2HD1      ILE  63   9.163   5.158   5.158
  110   3HD1  ILE  63          1HD1      ILE  63  10.390   5.677   5.677
  111    H    LEU  64           H        LEU  64   9.558  10.512  10.512
  112    HA   LEU  64           HA       LEU  64  10.438  12.875  12.875
  113   1HB   LEU  64          2HB       LEU  64   8.713  13.902  13.902
  114   2HB   LEU  64          1HB       LEU  64   8.300  12.276  12.276
  115    HG   LEU  64           HG       LEU  64   9.559  12.435  12.435
  116   1HD1  LEU  64          2HD1      LEU  64   9.707  15.402  15.402
  117   2HD1  LEU  64          1HD1      LEU  64  10.105  14.713  14.713
  118   3HD1  LEU  64          3HD1      LEU  64  11.116  14.391  14.391
  119   1HD2  LEU  64          3HD2      LEU  64   7.044  12.891  12.891
  120   2HD2  LEU  64          2HD2      LEU  64   7.734  13.915  13.915
  121   3HD2  LEU  64          1HD2      LEU  64   7.410  14.559  14.559
  122    H    GLN  65           H        GLN  65  11.484  11.105  11.105
  123    HA   GLN  65           HA       GLN  65  13.421  13.102  13.102
  124   1HB   GLN  65          2HB       GLN  65  13.135  10.123  10.123
  125   2HB   GLN  65          1HB       GLN  65  14.384  11.066  11.066
  126   1HG   GLN  65          2HG       GLN  65  12.894  12.209  12.209
  127   2HG   GLN  65          1HG       GLN  65  11.525  12.027  12.027
  128   1HE2  GLN  65          2HE2      GLN  65  11.256   8.468   8.468
  129   2HE2  GLN  65          1HE2      GLN  65  11.527   9.472   9.472
  130    H    GLN  66           H        GLN  66  13.467  10.084  10.084
  131    HA   GLN  66           HA       GLN  66  16.225  10.156  10.156
  132   1HB   GLN  66          2HB       GLN  66  13.675   9.009   9.009
  133   2HB   GLN  66          1HB       GLN  66  15.168   8.723   8.723
  134   1HG   GLN  66          2HG       GLN  66  16.119   7.637   7.637
  135   2HG   GLN  66          1HG       GLN  66  14.650   7.992   7.992
  136   1HE2  GLN  66          2HE2      GLN  66  13.031   5.095   5.095
  137   2HE2  GLN  66          1HE2      GLN  66  12.958   6.445   6.445
  138    H    LEU  67           H        LEU  67  13.501  11.360  11.360
  139    HA   LEU  67           HA       LEU  67  15.230  12.517  12.517
  140   1HB   LEU  67          2HB       LEU  67  12.328  13.218  13.218
  141   2HB   LEU  67          1HB       LEU  67  13.107  13.612  13.612
  142    HG   LEU  67           HG       LEU  67  12.793  10.735  10.735
  143   1HD1  LEU  67          2HD1      LEU  67  11.066  12.304  12.304
  144   2HD1  LEU  67          1HD1      LEU  67  10.877  10.597  10.597
  145   3HD1  LEU  67          3HD1      LEU  67  10.533  11.778  11.778
  146   1HD2  LEU  67          2HD2      LEU  67  14.577  11.072  11.072
  147   2HD2  LEU  67          1HD2      LEU  67  13.254  10.131  10.131
  148   3HD2  LEU  67          3HD2      LEU  67  13.410  11.828  11.828
  149    H    LEU  68           H        LEU  68  14.095  13.689  13.689
  150    HA   LEU  68           HA       LEU  68  14.683  16.450  16.450
  151   1HB   LEU  68          2HB       LEU  68  13.148  15.920  15.920
  152   2HB   LEU  68          1HB       LEU  68  14.280  14.771  14.771
  153    HG   LEU  68           HG       LEU  68  15.794  16.503  16.503
  154   1HD1  LEU  68          2HD1      LEU  68  13.646  18.456  18.456
  155   2HD1  LEU  68          1HD1      LEU  68  15.095  18.954  18.954
  156   3HD1  LEU  68          3HD1      LEU  68  15.232  18.212  18.212
  157   1HD2  LEU  68          2HD2      LEU  68  12.981  17.026  17.026
  158   2HD2  LEU  68          1HD2      LEU  68  14.146  15.888  15.888
  159   3HD2  LEU  68          3HD2      LEU  68  14.448  17.610  17.610
  160    H    PHE  69           H        PHE  69  16.506  13.593  13.593
  161    HA   PHE  69           HA       PHE  69  18.898  15.123  15.123
  162   1HB   PHE  69          2HB       PHE  69  18.838  13.021  13.021
  163   2HB   PHE  69          1HB       PHE  69  17.986  12.247  12.247
  164    HD1  PHE  69           HD2      PHE  69  21.413  13.536  13.536
  165    HD2  PHE  69           HD1      PHE  69  19.037  10.778  10.778
  166    HE1  PHE  69           HE2      PHE  69  23.428  12.371  12.371
  167    HE2  PHE  69           HE1      PHE  69  21.034   9.634   9.634
  168    HZ   PHE  69           HZ       PHE  69  23.267  10.421  10.421
  169    H    ILE  70           H        ILE  70  17.777  13.152  13.152
  170    HA   ILE  70           HA       ILE  70  19.990  13.433  13.433
  171    HB   ILE  70           HB       ILE  70  17.014  13.019  13.019
  172   1HG1  ILE  70          2HG1      ILE  70  19.212  10.890  10.890
  173   2HG1  ILE  70          1HG1      ILE  70  18.495  11.409  11.409
  174   1HG2  ILE  70          3HG2      ILE  70  18.293  13.670  13.670
  175   2HG2  ILE  70          2HG2      ILE  70  19.451  12.391  12.391
  176   3HG2  ILE  70          1HG2      ILE  70  17.790  11.997  11.997
  177   1HD1  ILE  70          1HD1      ILE  70  16.914  10.280  10.280
  178   2HD1  ILE  70          3HD1      ILE  70  17.363   9.426   9.426
  179   3HD1  ILE  70          2HD1      ILE  70  16.275  10.784  10.784
  180    H    HIS  71           H        HIS  71  17.107  15.509  15.509
  181    HA   HIS  71           HA       HIS  71  17.667  17.223  17.223
  182   1HB   HIS  71          2HB       HIS  71  15.937  18.508  18.508
  183   2HB   HIS  71          1HB       HIS  71  15.626  17.157  17.157
  184    HD1  HIS  71           HD1      HIS  71  15.315  20.442  20.442
  185    HD2  HIS  71           HD2      HIS  71  17.827  17.786  17.786
  186    HE1  HIS  71           HE1      HIS  71  15.970  21.404  21.404
  187    H    PHE  72           H        PHE  72  19.360  16.863  16.863
  188    HA   PHE  72           HA       PHE  72  20.665  19.502  19.502
  189   1HB   PHE  72          2HB       PHE  72  20.110  18.436  18.436
  190   2HB   PHE  72          1HB       PHE  72  21.235  17.150  17.150
  191    HD1  PHE  72           HD2      PHE  72  21.098  20.892  20.892
  192    HD2  PHE  72           HD1      PHE  72  23.514  17.394  17.394
  193    HE1  PHE  72           HE2      PHE  72  22.957  22.251  22.251
  194    HE2  PHE  72           HE1      PHE  72  25.369  18.760  18.760
  195    HZ   PHE  72           HZ       PHE  72  25.095  21.188  21.188
  196    H    ARG  73           H        ARG  73  21.130  16.332  16.332
  197    HA   ARG  73           HA       ARG  73  24.010  16.632  16.632
  198   1HB   ARG  73          2HB       ARG  73  21.933  14.411  14.411
  199   2HB   ARG  73          1HB       ARG  73  23.638  14.160  14.160
  200   1HG   ARG  73          2HG       ARG  73  23.621  15.620  15.620
  201   2HG   ARG  73          1HG       ARG  73  22.200  14.647  14.647
  202   1HD   ARG  73          2HD       ARG  73  23.450  12.590  12.590
  203   2HD   ARG  73          1HD       ARG  73  24.828  13.352  13.352
  204    HE   ARG  73           HE       ARG  73  24.107  14.013  14.013
  205   1HH1  ARG  73          2HH1      ARG  73  26.298  15.527  15.527
  206   2HH1  ARG  73          1HH1      ARG  73  27.706  14.568  14.568
  207   1HH2  ARG  73          1HH2      ARG  73  25.810  11.629  11.629
  208   2HH2  ARG  73          2HH2      ARG  73  27.416  12.268  12.268
  209    H    ILE  74           H        ILE  74  20.969  16.722  16.722
  210    HA   ILE  74           HA       ILE  74  21.901  16.873  16.873
  211    HB   ILE  74           HB       ILE  74  19.236  17.126  17.126
  212   1HG1  ILE  74          2HG1      ILE  74  20.140  15.241  15.241
  213   2HG1  ILE  74          1HG1      ILE  74  20.037  14.873  14.873
  214   1HG2  ILE  74          3HG2      ILE  74  19.187  18.895  18.895
  215   2HG2  ILE  74          2HG2      ILE  74  19.580  17.714  17.714
  216   3HG2  ILE  74          1HG2      ILE  74  18.046  17.628  17.628
  217   1HD1  ILE  74          2HD1      ILE  74  17.544  15.297  15.297
  218   2HD1  ILE  74          1HD1      ILE  74  17.668  15.599  15.599
  219   3HD1  ILE  74          3HD1      ILE  74  18.042  14.016  14.016
  220    H    GLY  75           H        GLY  75  20.295  18.845  18.845
  221   1HA   GLY  75          2HA       GLY  75  20.390  21.385  21.385
  222   2HA   GLY  75          1HA       GLY  75  20.587  21.038  21.038
  223    H    CYS  76           H        CYS  76  22.967  20.429  20.429
  224    HA   CYS  76           HA       CYS  76  24.625  22.623  22.623
  225   1HB   CYS  76          2HB       CYS  76  25.401  19.777  19.777
  226   2HB   CYS  76          1HB       CYS  76  26.505  21.126  21.126
  227    HG   CYS  76           HG       CYS  76  25.399  21.923  21.923
  228    H    ARG  77           H        ARG  77  24.718  19.481  19.481
  229    HA   ARG  77           HA       ARG  77  26.870  20.110  20.110
  230   1HB   ARG  77          2HB       ARG  77  24.745  18.003  18.003
  231   2HB   ARG  77          1HB       ARG  77  25.678  18.077  18.077
  232   1HG   ARG  77          2HG       ARG  77  26.723  16.545  16.545
  233   2HG   ARG  77          1HG       ARG  77  27.770  17.905  17.905
  234   1HD   ARG  77          2HD       ARG  77  27.028  19.013  19.013
  235   2HD   ARG  77          1HD       ARG  77  26.063  17.593  17.593
  236    HE   ARG  77           HE       ARG  77  28.132  16.336  16.336
  237   1HH1  ARG  77          1HH2      ARG  77  30.310  17.123  17.123
  238   2HH1  ARG  77          2HH2      ARG  77  31.115  18.333  18.333
  239   1HH2  ARG  77          2HH1      ARG  77  28.326  19.032  19.032
  240   2HH2  ARG  77          1HH1      ARG  77  29.978  19.449  19.449
  241    H    HIS  78           H        HIS  78  23.464  20.696  20.696
  242    HA   HIS  78           HA       HIS  78  23.189  21.043  21.043
  243   1HB   HIS  78          2HB       HIS  78  21.387  21.184  21.184
  244   2HB   HIS  78          1HB       HIS  78  21.792  22.889  22.889
  245    HD1  HIS  78           HD1      HIS  78  19.266  23.182  23.182
  246    HD2  HIS  78           HD2      HIS  78  21.928  21.354  21.354
  247    HE1  HIS  78           HE1      HIS  78  18.286  23.201  23.201
  248    H    SER  79           H        SER  79  24.791  22.928  22.928
  249    HA   SER  79           HA       SER  79  25.562  24.929  24.929
  250   1HB   SER  79          2HB       SER  79  23.838  25.969  25.969
  251   2HB   SER  79          1HB       SER  79  24.727  25.495  25.495
  252    HG   SER  79           HG       SER  79  26.549  26.711  26.711
  253    H    ARG  80           H        ARG  80  26.725  22.482  22.482
  254    HA   ARG  80           HA       ARG  80  28.650  21.649  21.649
  255   1HB   ARG  80          2HB       ARG  80  30.694  22.628  22.628
  256   2HB   ARG  80          1HB       ARG  80  29.418  21.987  21.987
  257   1HG   ARG  80          2HG       ARG  80  28.565  24.272  24.272
  258   2HG   ARG  80          1HG       ARG  80  29.822  24.945  24.945
  259   1HD   ARG  80          2HD       ARG  80  31.565  24.109  24.109
  260   2HD   ARG  80          1HD       ARG  80  30.378  23.214  23.214
  261    HE   ARG  80           HE       ARG  80  30.219  25.186  25.186
  262   1HH1  ARG  80          2HH1      ARG  80  28.266  26.581  26.581
  263   2HH1  ARG  80          1HH1      ARG  80  29.013  27.985  27.985
  264   1HH2  ARG  80          1HH2      ARG  80  32.228  26.592  26.592
  265   2HH2  ARG  80          2HH2      ARG  80  31.331  27.983  27.983
  266    H    ILE  81           H        ILE  81  27.487  23.313  23.313
  267    HA   ILE  81           HA       ILE  81  29.212  25.359  25.359
  268    HB   ILE  81           HB       ILE  81  27.096  23.667  23.667
  269   1HG1  ILE  81          2HG1      ILE  81  26.094  24.732  24.732
  270   2HG1  ILE  81          1HG1      ILE  81  25.489  25.497  25.497
  271   1HG2  ILE  81          1HG2      ILE  81  28.206  26.420  26.420
  272   2HG2  ILE  81          3HG2      ILE  81  26.876  25.629  25.629
  273   3HG2  ILE  81          2HG2      ILE  81  28.486  24.937  24.937
  274   1HD1  ILE  81          2HD1      ILE  81  27.716  26.643  26.643
  275   2HD1  ILE  81          1HD1      ILE  81  26.058  27.195  27.195
  276   3HD1  ILE  81          3HD1      ILE  81  27.066  27.406  27.406
  277    H    GLY  82           H        GLY  82  31.197  24.334  24.334
  278   1HA   GLY  82          2HA       GLY  82  33.058  23.511  23.511
  279   2HA   GLY  82          1HA       GLY  82  31.900  22.741  22.741
  280   1HN   NH2  83          1HT       GLY  82  31.497  22.436  22.436
  281   2HN   NH2  83          2HT       GLY  82  31.926  20.791  20.791

  Start of MODEL    5
    1   1H    ACE  50          1HA       ACE  50   0.114   2.407   2.407
    2   2H    ACE  50          2HA       ACE  50   0.436   0.943   0.943
    3   3H    ACE  50          3HA       ACE  50  -0.662   0.888   0.888
    4    H    TYR  50           H        TYR  50  -1.407   0.023   0.023
    5    HA   TYR  50           HA       TYR  50  -3.065   0.204   0.204
    6   1HB   TYR  50          2HB       TYR  50  -4.246   0.622   0.622
    7   2HB   TYR  50          1HB       TYR  50  -4.554   2.190   2.190
    8    HD1  TYR  50           HD1      TYR  50  -5.870   2.334   2.334
    9    HD2  TYR  50           HD2      TYR  50  -5.494  -1.321  -1.321
   10    HE1  TYR  50           HE1      TYR  50  -7.755   1.393   1.393
   11    HE2  TYR  50           HE2      TYR  50  -7.384  -2.246  -2.246
   12    HH   TYR  50           HH       TYR  50  -9.398  -1.364  -1.364
   13    H    GLY  51           H        GLY  51  -0.868   2.248   2.248
   14   1HA   GLY  51          2HA       GLY  51  -1.939   4.756   4.756
   15   2HA   GLY  51          1HA       GLY  51  -0.249   4.261   4.261
   16    H    ASP  52           H        ASP  52  -3.197   2.960   2.960
   17    HA   ASP  52           HA       ASP  52  -2.100   1.974   1.974
   18   1HB   ASP  52          2HB       ASP  52  -4.714   3.514   3.514
   19   2HB   ASP  52          1HB       ASP  52  -4.298   2.667   2.667
   20    H    THR  53           H        THR  53  -3.362   5.300   5.300
   21    HA   THR  53           HA       THR  53  -2.359   6.160   6.160
   22    HB   THR  53           HB       THR  53  -2.777   7.932   7.932
   23    HG1  THR  53           HG1      THR  53  -4.835   7.395   7.395
   24   1HG2  THR  53          2HG2      THR  53  -3.420   8.339   8.339
   25   2HG2  THR  53          1HG2      THR  53  -3.628   9.524   9.524
   26   3HG2  THR  53          3HG2      THR  53  -2.015   9.058   9.058
   27    H    TRP  54           H        TRP  54  -0.679   5.907   5.907
   28    HA   TRP  54           HA       TRP  54   1.511   7.645   7.645
   29   1HB   TRP  54          2HB       TRP  54   1.237   5.367   5.367
   30   2HB   TRP  54          1HB       TRP  54   2.837   5.958   5.958
   31    HD1  TRP  54           HD1      TRP  54   0.104   6.763   6.763
   32    HE1  TRP  54           HE1      TRP  54   0.366   9.081   9.081
   33    HE3  TRP  54           HE3      TRP  54   3.561   8.351   8.351
   34    HZ2  TRP  54           HZ2      TRP  54   1.900  11.333  11.333
   35    HZ3  TRP  54           HZ3      TRP  54   4.485  10.671  10.671
   36    HH2  TRP  54           HH2      TRP  54   3.638  12.152  12.152
   37    H    ALA  55           H        ALA  55   1.071   4.230   4.230
   38    HA   ALA  55           HA       ALA  55   3.490   3.486   3.486
   39   1HB   ALA  55          1HB       ALA  55   1.870   1.941   1.941
   40   2HB   ALA  55          3HB       ALA  55   0.724   2.312   2.312
   41   3HB   ALA  55          2HB       ALA  55   2.240   1.488   1.488
   42    H    GLY  56           H        GLY  56   0.395   4.445   4.445
   43   1HA   GLY  56          2HA       GLY  56   1.149   4.142   4.142
   44   2HA   GLY  56          1HA       GLY  56  -0.168   5.160   5.160
   45    H    VAL  57           H        VAL  57   1.385   6.857   6.857
   46    HA   VAL  57           HA       VAL  57   2.448   8.629   8.629
   47    HB   VAL  57           HB       VAL  57   2.101   8.963   8.963
   48   1HG1  VAL  57          1HG1      VAL  57   2.815  11.091  11.091
   49   2HG1  VAL  57          3HG1      VAL  57   2.452  11.396  11.396
   50   3HG1  VAL  57          2HG1      VAL  57   3.894  10.506  10.506
   51   1HG2  VAL  57          3HG2      VAL  57  -0.006   8.762   8.762
   52   2HG2  VAL  57          2HG2      VAL  57   0.156  10.376  10.376
   53   3HG2  VAL  57          1HG2      VAL  57   0.523  10.068  10.068
   54    H    GLU  58           H        GLU  58   3.946   6.762   6.762
   55    HA   GLU  58           HA       GLU  58   6.494   8.140   8.140
   56   1HB   GLU  58          2HB       GLU  58   5.322   6.005   6.005
   57   2HB   GLU  58          1HB       GLU  58   6.687   5.275   5.275
   58   1HG   GLU  58          2HG       GLU  58   7.290   6.099   6.099
   59   2HG   GLU  58          1HG       GLU  58   8.187   7.001   7.001
   60    H    ALA  59           H        ALA  59   4.826   5.799   5.799
   61    HA   ALA  59           HA       ALA  59   6.949   4.725   4.725
   62   1HB   ALA  59          1HB       ALA  59   4.876   3.456   3.456
   63   2HB   ALA  59          3HB       ALA  59   3.913   4.650   4.650
   64   3HB   ALA  59          2HB       ALA  59   5.038   3.645   3.645
   65    H    ILE  60           H        ILE  60   4.415   7.175   7.175
   66    HA   ILE  60           HA       ILE  60   5.338   7.660   7.660
   67    HB   ILE  60           HB       ILE  60   3.865   9.775   9.775
   68   1HG1  ILE  60          2HG1      ILE  60   2.445   8.647   8.647
   69   2HG1  ILE  60          1HG1      ILE  60   3.913   9.549   9.549
   70   1HG2  ILE  60          3HG2      ILE  60   3.057   7.696   7.696
   71   2HG2  ILE  60          2HG2      ILE  60   2.559   7.071   7.071
   72   3HG2  ILE  60          1HG2      ILE  60   1.747   8.468   8.468
   73   1HD1  ILE  60          3HD1      ILE  60   3.077  11.463  11.463
   74   2HD1  ILE  60          2HD1      ILE  60   1.575  10.588  10.588
   75   3HD1  ILE  60          1HD1      ILE  60   2.011  11.083  11.083
   76    H    ILE  61           H        ILE  61   5.818   8.827   8.827
   77    HA   ILE  61           HA       ILE  61   7.151  11.172  11.172
   78    HB   ILE  61           HB       ILE  61   6.896   9.437   9.437
   79   1HG1  ILE  61          2HG1      ILE  61   5.358  11.320  11.320
   80   2HG1  ILE  61          1HG1      ILE  61   6.183  11.460  11.460
   81   1HG2  ILE  61          2HG2      ILE  61   9.242  11.265  11.265
   82   2HG2  ILE  61          1HG2      ILE  61   8.461  10.502  10.502
   83   3HG2  ILE  61          3HG2      ILE  61   9.200   9.515   9.515
   84   1HD1  ILE  61          1HD1      ILE  61   7.003  12.952  12.952
   85   2HD1  ILE  61          3HD1      ILE  61   6.157  13.648  13.648
   86   3HD1  ILE  61          2HD1      ILE  61   7.799  13.070  13.070
   87    H    ARG  62           H        ARG  62   8.082   7.901   7.901
   88    HA   ARG  62           HA       ARG  62  10.911   8.255   8.255
   89   1HB   ARG  62          2HB       ARG  62   9.038   6.015   6.015
   90   2HB   ARG  62          1HB       ARG  62  10.625   5.852   5.852
   91   1HG   ARG  62          2HG       ARG  62  10.195   6.503   6.503
   92   2HG   ARG  62          1HG       ARG  62  10.346   4.861   4.861
   93   1HD   ARG  62          2HD       ARG  62  12.591   5.330   5.330
   94   2HD   ARG  62          1HD       ARG  62  12.471   7.034   7.034
   95    HE   ARG  62           HE       ARG  62  12.611   4.806   4.806
   96   1HH1  ARG  62          1HH2      ARG  62  11.351   7.437   7.437
   97   2HH1  ARG  62          2HH2      ARG  62  12.689   8.249   8.249
   98   1HH2  ARG  62          2HH1      ARG  62  15.033   6.090   6.090
   99   2HH2  ARG  62          1HH1      ARG  62  14.837   7.459   7.459
  100    H    ILE  63           H        ILE  63   8.884   7.523   7.523
  101    HA   ILE  63           HA       ILE  63  11.035   7.843   7.843
  102    HB   ILE  63           HB       ILE  63   8.956   8.121   8.121
  103   1HG1  ILE  63          2HG1      ILE  63   6.970   6.754   6.754
  104   2HG1  ILE  63          1HG1      ILE  63   7.533   7.067   7.067
  105   1HG2  ILE  63          1HG2      ILE  63   9.628   5.548   5.548
  106   2HG2  ILE  63          3HG2      ILE  63   8.796   5.633   5.633
  107   3HG2  ILE  63          2HG2      ILE  63  10.446   6.202   6.202
  108   1HD1  ILE  63          2HD1      ILE  63   7.408   9.518   9.518
  109   2HD1  ILE  63          1HD1      ILE  63   6.758   9.148   9.148
  110   3HD1  ILE  63          3HD1      ILE  63   5.863   8.726   8.726
  111    H    LEU  64           H        LEU  64   8.766  10.144  10.144
  112    HA   LEU  64           HA       LEU  64   9.401  12.266  12.266
  113   1HB   LEU  64          2HB       LEU  64   7.238  12.050  12.050
  114   2HB   LEU  64          1HB       LEU  64   8.102  11.936  11.936
  115    HG   LEU  64           HG       LEU  64   8.865  14.151  14.151
  116   1HD1  LEU  64          1HD1      LEU  64   7.276  14.273  14.273
  117   2HD1  LEU  64          3HD1      LEU  64   8.001  15.669  15.669
  118   3HD1  LEU  64          2HD1      LEU  64   9.026  14.404  14.404
  119   1HD2  LEU  64          1HD2      LEU  64   5.859  13.906  13.906
  120   2HD2  LEU  64          3HD2      LEU  64   6.656  13.765  13.765
  121   3HD2  LEU  64          2HD2      LEU  64   6.623  15.312  15.312
  122    H    GLN  65           H        GLN  65  10.695  11.080  11.080
  123    HA   GLN  65           HA       GLN  65  12.378  13.499  13.499
  124   1HB   GLN  65          2HB       GLN  65  12.002  10.948  10.948
  125   2HB   GLN  65          1HB       GLN  65  13.605  11.641  11.641
  126   1HG   GLN  65          2HG       GLN  65  12.424  12.644  12.644
  127   2HG   GLN  65          1HG       GLN  65  12.506  13.878  13.878
  128   1HE2  GLN  65          2HE2      GLN  65   8.847  13.306  13.306
  129   2HE2  GLN  65          1HE2      GLN  65  10.200  13.058  13.058
  130    H    GLN  66           H        GLN  66  12.745  10.155  10.155
  131    HA   GLN  66           HA       GLN  66  15.411  10.044  10.044
  132   1HB   GLN  66          2HB       GLN  66  12.922   8.786   8.786
  133   2HB   GLN  66          1HB       GLN  66  14.505   8.303   8.303
  134   1HG   GLN  66          2HG       GLN  66  15.064   7.296   7.296
  135   2HG   GLN  66          1HG       GLN  66  13.725   8.080   8.080
  136   1HE2  GLN  66          2HE2      GLN  66  12.228   5.501   5.501
  137   2HE2  GLN  66          1HE2      GLN  66  13.136   6.832   6.832
  138    H    LEU  67           H        LEU  67  12.706  11.064  11.064
  139    HA   LEU  67           HA       LEU  67  14.453  11.667  11.667
  140   1HB   LEU  67          2HB       LEU  67  12.340  12.139  12.139
  141   2HB   LEU  67          1HB       LEU  67  12.067  10.757  10.757
  142    HG   LEU  67           HG       LEU  67  11.160  12.428  12.428
  143   1HD1  LEU  67          1HD1      LEU  67  10.818  14.085  14.085
  144   2HD1  LEU  67          3HD1      LEU  67  10.077  14.439  14.439
  145   3HD1  LEU  67          2HD1      LEU  67  11.809  14.562  14.562
  146   1HD2  LEU  67          1HD2      LEU  67   9.632  11.862  11.862
  147   2HD2  LEU  67          3HD2      LEU  67   9.743  10.771  10.771
  148   3HD2  LEU  67          2HD2      LEU  67   8.873  12.281  12.281
  149    H    LEU  68           H        LEU  68  13.009  13.428  13.428
  150    HA   LEU  68           HA       LEU  68  13.608  15.993  15.993
  151   1HB   LEU  68          2HB       LEU  68  11.970  15.850  15.850
  152   2HB   LEU  68          1HB       LEU  68  13.084  14.938  14.938
  153    HG   LEU  68           HG       LEU  68  14.557  16.778  16.778
  154   1HD1  LEU  68          2HD1      LEU  68  12.432  18.385  18.385
  155   2HD1  LEU  68          1HD1      LEU  68  13.832  19.106  19.106
  156   3HD1  LEU  68          3HD1      LEU  68  14.059  18.037  18.037
  157   1HD2  LEU  68          3HD2      LEU  68  11.692  17.468  17.468
  158   2HD2  LEU  68          2HD2      LEU  68  12.848  16.537  16.537
  159   3HD2  LEU  68          1HD2      LEU  68  13.119  18.248  18.248
  160    H    PHE  69           H        PHE  69  15.393  13.367  13.367
  161    HA   PHE  69           HA       PHE  69  17.629  14.909  14.909
  162   1HB   PHE  69          2HB       PHE  69  17.515  12.077  12.077
  163   2HB   PHE  69          1HB       PHE  69  18.919  12.725  12.725
  164    HD1  PHE  69           HD1      PHE  69  16.493  14.145  14.145
  165    HD2  PHE  69           HD2      PHE  69  17.946  10.273  10.273
  166    HE1  PHE  69           HE1      PHE  69  15.652  13.263  13.263
  167    HE2  PHE  69           HE2      PHE  69  17.089   9.391   9.391
  168    HZ   PHE  69           HZ       PHE  69  15.935  10.883  10.883
  169    H    ILE  70           H        ILE  70  16.642  13.872  13.872
  170    HA   ILE  70           HA       ILE  70  19.114  14.141  14.141
  171    HB   ILE  70           HB       ILE  70  16.333  14.800  14.800
  172   1HG1  ILE  70          2HG1      ILE  70  16.048  12.656  12.656
  173   2HG1  ILE  70          1HG1      ILE  70  16.335  12.289  12.289
  174   1HG2  ILE  70          1HG2      ILE  70  18.246  15.279  15.279
  175   2HG2  ILE  70          3HG2      ILE  70  18.814  13.631  13.631
  176   3HG2  ILE  70          2HG2      ILE  70  17.273  13.948  13.948
  177   1HD1  ILE  70          3HD1      ILE  70  18.741  11.776  11.776
  178   2HD1  ILE  70          2HD1      ILE  70  18.359  12.112  12.112
  179   3HD1  ILE  70          1HD1      ILE  70  17.586  10.775  10.775
  180    H    HIS  71           H        HIS  71  16.789  16.678  16.678
  181    HA   HIS  71           HA       HIS  71  18.008  18.725  18.725
  182   1HB   HIS  71          2HB       HIS  71  16.568  20.185  20.185
  183   2HB   HIS  71          1HB       HIS  71  15.790  18.701  18.701
  184    HD1  HIS  71           HD1      HIS  71  16.232  21.592  21.592
  185    HD2  HIS  71           HD2      HIS  71  17.676  17.821  17.821
  186    HE1  HIS  71           HE1      HIS  71  16.776  21.527  21.527
  187    H    PHE  72           H        PHE  72  19.020  17.095  17.095
  188    HA   PHE  72           HA       PHE  72  21.085  19.098  19.098
  189   1HB   PHE  72          2HB       PHE  72  19.621  17.444  17.444
  190   2HB   PHE  72          1HB       PHE  72  20.999  16.408  16.408
  191    HD1  PHE  72           HD1      PHE  72  23.273  17.138  17.138
  192    HD2  PHE  72           HD2      PHE  72  19.832  19.545  19.545
  193    HE1  PHE  72           HE1      PHE  72  24.534  18.449  18.449
  194    HE2  PHE  72           HE2      PHE  72  21.095  20.842  20.842
  195    HZ   PHE  72           HZ       PHE  72  23.451  20.302  20.302
  196    H    ARG  73           H        ARG  73  20.731  16.380  16.380
  197    HA   ARG  73           HA       ARG  73  23.675  15.919  15.919
  198   1HB   ARG  73          2HB       ARG  73  21.298  14.439  14.439
  199   2HB   ARG  73          1HB       ARG  73  22.978  13.912  13.912
  200   1HG   ARG  73          2HG       ARG  73  22.951  14.357  14.357
  201   2HG   ARG  73          1HG       ARG  73  21.238  14.352  14.352
  202   1HD   ARG  73          2HD       ARG  73  21.060  12.091  12.091
  203   2HD   ARG  73          1HD       ARG  73  22.704  11.989  11.989
  204    HE   ARG  73           HE       ARG  73  22.191  12.433  12.433
  205   1HH1  ARG  73          2HH1      ARG  73  24.148  11.077  11.077
  206   2HH1  ARG  73          1HH1      ARG  73  24.758   9.809   9.809
  207   1HH2  ARG  73          1HH2      ARG  73  22.725  10.584  10.584
  208   2HH2  ARG  73          2HH2      ARG  73  23.971   9.544   9.544
  209    H    ILE  74           H        ILE  74  21.205  17.528  17.528
  210    HA   ILE  74           HA       ILE  74  22.586  17.977  17.977
  211    HB   ILE  74           HB       ILE  74  19.713  18.289  18.289
  212   1HG1  ILE  74          2HG1      ILE  74  21.069  16.892  16.892
  213   2HG1  ILE  74          1HG1      ILE  74  20.337  16.161  16.161
  214   1HG2  ILE  74          2HG2      ILE  74  20.244  20.464  20.464
  215   2HG2  ILE  74          1HG2      ILE  74  20.776  19.550  19.550
  216   3HG2  ILE  74          3HG2      ILE  74  19.093  19.513  19.513
  217   1HD1  ILE  74          2HD1      ILE  74  18.086  17.021  17.021
  218   2HD1  ILE  74          1HD1      ILE  74  18.853  17.677  17.677
  219   3HD1  ILE  74          3HD1      ILE  74  18.835  15.949  15.949
  220    H    GLY  75           H        GLY  75  20.894  19.916  19.916
  221   1HA   GLY  75          2HA       GLY  75  21.981  22.414  22.414
  222   2HA   GLY  75          1HA       GLY  75  21.230  22.096  22.096
  223    H    CYS  76           H        CYS  76  22.719  20.765  20.765
  224    HA   CYS  76           HA       CYS  76  25.006  22.308  22.308
  225   1HB   CYS  76          2HB       CYS  76  23.881  20.672  20.672
  226   2HB   CYS  76          1HB       CYS  76  24.609  19.373  19.373
  227    HG   CYS  76           HG       CYS  76  26.070  21.138  21.138
  228    H    ARG  77           H        ARG  77  24.730  19.501  19.501
  229    HA   ARG  77           HA       ARG  77  27.615  19.237  19.237
  230   1HB   ARG  77          2HB       ARG  77  25.836  17.412  17.412
  231   2HB   ARG  77          1HB       ARG  77  25.470  18.139  18.139
  232   1HG   ARG  77          2HG       ARG  77  27.646  17.691  17.691
  233   2HG   ARG  77          1HG       ARG  77  28.314  17.327  17.327
  234   1HD   ARG  77          2HD       ARG  77  26.182  15.657  15.657
  235   2HD   ARG  77          1HD       ARG  77  27.888  15.233  15.233
  236    HE   ARG  77           HE       ARG  77  26.098  15.541  15.541
  237   1HH1  ARG  77          2HH1      ARG  77  29.246  15.201  15.201
  238   2HH1  ARG  77          1HH1      ARG  77  29.413  13.593  13.593
  239   1HH2  ARG  77          1HH2      ARG  77  25.941  13.022  13.022
  240   2HH2  ARG  77          2HH2      ARG  77  27.451  12.311  12.311
  241    H    HIS  78           H        HIS  78  25.097  20.977  20.977
  242    HA   HIS  78           HA       HIS  78  26.037  21.483  21.483
  243   1HB   HIS  78          2HB       HIS  78  24.040  22.604  22.604
  244   2HB   HIS  78          1HB       HIS  78  24.996  23.520  23.520
  245    HD1  HIS  78           HD1      HIS  78  26.301  25.521  25.521
  246    HD2  HIS  78           HD2      HIS  78  24.202  23.415  23.415
  247    HE1  HIS  78           HE1      HIS  78  26.262  26.867  26.867
  248    H    SER  79           H        SER  79  27.211  23.005  23.005
  249    HA   SER  79           HA       SER  79  29.759  23.240  23.240
  250   1HB   SER  79          2HB       SER  79  30.113  23.694  23.694
  251   2HB   SER  79          1HB       SER  79  29.272  25.241  25.241
  252    HG   SER  79           HG       SER  79  31.790  24.753  24.753
  253    H    ARG  80           H        ARG  80  29.912  24.457  24.457
  254    HA   ARG  80           HA       ARG  80  29.231  27.194  27.194
  255   1HB   ARG  80          2HB       ARG  80  26.834  26.207  26.207
  256   2HB   ARG  80          1HB       ARG  80  27.288  25.320  25.320
  257   1HG   ARG  80          2HG       ARG  80  27.888  27.536  27.536
  258   2HG   ARG  80          1HG       ARG  80  27.364  28.368  28.368
  259   1HD   ARG  80          2HD       ARG  80  25.523  28.493  28.493
  260   2HD   ARG  80          1HD       ARG  80  25.056  27.239  27.239
  261    HE   ARG  80           HE       ARG  80  25.997  25.605  25.605
  262   1HH1  ARG  80          1HH2      ARG  80  26.826  26.651  26.651
  263   2HH1  ARG  80          2HH2      ARG  80  25.474  27.149  27.149
  264   1HH2  ARG  80          2HH1      ARG  80  23.307  27.123  27.123
  265   2HH2  ARG  80          1HH1      ARG  80  23.390  27.432  27.432
  266    H    ILE  81           H        ILE  81  31.510  26.455  26.455
  267    HA   ILE  81           HA       ILE  81  31.687  25.727  25.727
  268    HB   ILE  81           HB       ILE  81  33.967  24.736  24.736
  269   1HG1  ILE  81          2HG1      ILE  81  32.994  25.067  25.067
  270   2HG1  ILE  81          1HG1      ILE  81  34.307  25.969  25.969
  271   1HG2  ILE  81          1HG2      ILE  81  31.982  23.276  23.276
  272   2HG2  ILE  81          3HG2      ILE  81  31.568  23.455  23.455
  273   3HG2  ILE  81          2HG2      ILE  81  33.035  22.614  22.614
  274   1HD1  ILE  81          1HD1      ILE  81  35.551  23.829  23.829
  275   2HD1  ILE  81          3HD1      ILE  81  34.257  22.944  22.944
  276   3HD1  ILE  81          2HD1      ILE  81  35.207  24.103  24.103
  277    H    GLY  82           H        GLY  82  33.232  26.911  26.911
  278   1HA   GLY  82          2HA       GLY  82  34.649  28.727  28.727
  279   2HA   GLY  82          1HA       GLY  82  35.016  28.851  28.851
  280   1HN   NH2  83          1HT       GLY  82  32.893  29.727  29.727
  281   2HN   NH2  83          2HT       GLY  82  32.176  31.085  31.085

  Start of MODEL    6
    1   1H    ACE  50          1HA       ACE  50  -7.144  -0.723  -0.723
    2   2H    ACE  50          2HA       ACE  50  -7.657  -0.206  -0.206
    3   3H    ACE  50          3HA       ACE  50  -6.844   0.932   0.932
    4    H    TYR  50           H        TYR  50  -5.671  -2.284  -2.284
    5    HA   TYR  50           HA       TYR  50  -3.541  -3.110  -3.110
    6   1HB   TYR  50          2HB       TYR  50  -4.351  -1.877  -1.877
    7   2HB   TYR  50          1HB       TYR  50  -3.070  -3.060  -3.060
    8    HD1  TYR  50           HD1      TYR  50  -3.654  -5.348  -5.348
    9    HD2  TYR  50           HD2      TYR  50  -6.655  -2.593  -2.593
   10    HE1  TYR  50           HE1      TYR  50  -5.296  -7.150  -7.150
   11    HE2  TYR  50           HE2      TYR  50  -8.296  -4.420  -4.420
   12    HH   TYR  50           HH       TYR  50  -7.419  -7.711  -7.711
   13    H    GLY  51           H        GLY  51  -3.418  -0.435  -0.435
   14   1HA   GLY  51          2HA       GLY  51  -1.756   1.188   1.188
   15   2HA   GLY  51          1HA       GLY  51  -0.626   0.091   0.091
   16    H    ASP  52           H        ASP  52  -3.211   0.991   0.991
   17    HA   ASP  52           HA       ASP  52  -1.886   2.010   2.010
   18   1HB   ASP  52          2HB       ASP  52  -4.291   1.641   1.641
   19   2HB   ASP  52          1HB       ASP  52  -4.569   2.924   2.924
   20    H    THR  53           H        THR  53  -3.010   4.052   4.052
   21    HA   THR  53           HA       THR  53  -2.073   6.467   6.467
   22    HB   THR  53           HB       THR  53  -2.207   5.872   5.872
   23    HG1  THR  53           HG1      THR  53  -4.576   6.465   6.465
   24   1HG2  THR  53          1HG2      THR  53  -1.804   8.270   8.270
   25   2HG2  THR  53          3HG2      THR  53  -3.336   8.157   8.157
   26   3HG2  THR  53          2HG2      THR  53  -3.288   8.119   8.119
   27    H    TRP  54           H        TRP  54  -0.355   4.040   4.040
   28    HA   TRP  54           HA       TRP  54   1.974   5.837   5.837
   29   1HB   TRP  54          2HB       TRP  54   1.316   3.081   3.081
   30   2HB   TRP  54          1HB       TRP  54   3.018   3.441   3.441
   31    HD1  TRP  54           HD1      TRP  54   0.161   4.312   4.312
   32    HE1  TRP  54           HE1      TRP  54   0.927   5.892   5.892
   33    HE3  TRP  54           HE3      TRP  54   4.683   5.375   5.375
   34    HZ2  TRP  54           HZ2      TRP  54   3.160   7.388   7.388
   35    HZ3  TRP  54           HZ3      TRP  54   6.165   6.938   6.938
   36    HH2  TRP  54           HH2      TRP  54   5.394   7.943   7.943
   37    H    ALA  55           H        ALA  55   1.317   2.736   2.736
   38    HA   ALA  55           HA       ALA  55   3.759   2.650   2.650
   39   1HB   ALA  55          2HB       ALA  55   2.255   0.698   0.698
   40   2HB   ALA  55          1HB       ALA  55   1.042   1.493   1.493
   41   3HB   ALA  55          3HB       ALA  55   2.577   1.008   1.008
   42    H    GLY  56           H        GLY  56   0.539   3.675   3.675
   43   1HA   GLY  56          2HA       GLY  56   1.055   4.511   4.511
   44   2HA   GLY  56          1HA       GLY  56  -0.230   5.161   5.161
   45    H    VAL  57           H        VAL  57   1.446   6.310   6.310
   46    HA   VAL  57           HA       VAL  57   2.303   8.681   8.681
   47    HB   VAL  57           HB       VAL  57   2.132   8.117   8.117
   48   1HG1  VAL  57          3HG1      VAL  57   2.578  10.767  10.767
   49   2HG1  VAL  57          2HG1      VAL  57   2.379  10.558  10.558
   50   3HG1  VAL  57          1HG1      VAL  57   3.792   9.907   9.907
   51   1HG2  VAL  57          2HG2      VAL  57  -0.067   8.161   8.161
   52   2HG2  VAL  57          1HG2      VAL  57   0.080   9.533   9.533
   53   3HG2  VAL  57          3HG2      VAL  57   0.319   9.745   9.745
   54    H    GLU  58           H        GLU  58   3.786   6.241   6.241
   55    HA   GLU  58           HA       GLU  58   6.361   7.543   7.543
   56   1HB   GLU  58          2HB       GLU  58   5.338   4.676   4.676
   57   2HB   GLU  58          1HB       GLU  58   7.064   4.934   4.934
   58   1HG   GLU  58          2HG       GLU  58   5.247   6.456   6.456
   59   2HG   GLU  58          1HG       GLU  58   5.921   4.887   4.887
   60    H    ALA  59           H        ALA  59   4.526   5.652   5.652
   61    HA   ALA  59           HA       ALA  59   6.586   5.076   5.076
   62   1HB   ALA  59          3HB       ALA  59   4.515   3.722   3.722
   63   2HB   ALA  59          2HB       ALA  59   3.550   5.116   5.116
   64   3HB   ALA  59          1HB       ALA  59   4.691   4.420   4.420
   65    H    ILE  60           H        ILE  60   4.222   7.681   7.681
   66    HA   ILE  60           HA       ILE  60   5.027   8.787   8.787
   67    HB   ILE  60           HB       ILE  60   3.609  10.786  10.786
   68   1HG1  ILE  60          2HG1      ILE  60   2.240   9.287   9.287
   69   2HG1  ILE  60          1HG1      ILE  60   3.778   9.967   9.967
   70   1HG2  ILE  60          2HG2      ILE  60   2.691   8.959   8.959
   71   2HG2  ILE  60          1HG2      ILE  60   2.257   8.054   8.054
   72   3HG2  ILE  60          3HG2      ILE  60   1.449   9.572   9.572
   73   1HD1  ILE  60          1HD1      ILE  60   1.490  11.519  11.519
   74   2HD1  ILE  60          3HD1      ILE  60   2.001  11.576  11.576
   75   3HD1  ILE  60          2HD1      ILE  60   3.059  12.194  12.194
   76    H    ILE  61           H        ILE  61   5.665   9.171   9.171
   77    HA   ILE  61           HA       ILE  61   7.119  11.578  11.578
   78    HB   ILE  61           HB       ILE  61   6.377   9.841   9.841
   79   1HG1  ILE  61          2HG1      ILE  61   7.152  12.743  12.743
   80   2HG1  ILE  61          1HG1      ILE  61   5.540  12.069  12.069
   81   1HG2  ILE  61          2HG2      ILE  61   9.213  10.792  10.792
   82   2HG2  ILE  61          1HG2      ILE  61   8.198  10.105  10.105
   83   3HG2  ILE  61          3HG2      ILE  61   8.643   9.127   9.127
   84   1HD1  ILE  61          1HD1      ILE  61   5.856  11.268  11.268
   85   2HD1  ILE  61          3HD1      ILE  61   7.462  11.980  11.980
   86   3HD1  ILE  61          2HD1      ILE  61   6.053  13.006  13.006
   87    H    ARG  62           H        ARG  62   7.896   8.202   8.202
   88    HA   ARG  62           HA       ARG  62  10.690   8.243   8.243
   89   1HB   ARG  62          2HB       ARG  62   8.760   6.450   6.450
   90   2HB   ARG  62          1HB       ARG  62  10.450   6.225   6.225
   91   1HG   ARG  62          2HG       ARG  62   9.513   6.289   6.289
   92   2HG   ARG  62          1HG       ARG  62   9.423   4.813   4.813
   93   1HD   ARG  62          2HD       ARG  62  11.919   5.050   5.050
   94   2HD   ARG  62          1HD       ARG  62  11.905   6.468   6.468
   95    HE   ARG  62           HE       ARG  62  10.618   4.400   4.400
   96   1HH1  ARG  62          2HH1      ARG  62  12.820   2.939   2.939
   97   2HH1  ARG  62          1HH1      ARG  62  14.113   2.957   2.957
   98   1HH2  ARG  62          1HH2      ARG  62  12.539   5.419   5.419
   99   2HH2  ARG  62          2HH2      ARG  62  13.943   4.416   4.416
  100    H    ILE  63           H        ILE  63   8.993   8.260   8.260
  101    HA   ILE  63           HA       ILE  63  11.416   8.963   8.963
  102    HB   ILE  63           HB       ILE  63   9.612   9.170   9.170
  103   1HG1  ILE  63          2HG1      ILE  63   7.645   7.617   7.617
  104   2HG1  ILE  63          1HG1      ILE  63   7.951   7.695   7.695
  105   1HG2  ILE  63          3HG2      ILE  63  11.275   7.379   7.379
  106   2HG2  ILE  63          2HG2      ILE  63  10.277   6.542   6.542
  107   3HG2  ILE  63          1HG2      ILE  63   9.731   6.700   6.700
  108   1HD1  ILE  63          3HD1      ILE  63   7.292  10.068  10.068
  109   2HD1  ILE  63          2HD1      ILE  63   6.205   9.276   9.276
  110   3HD1  ILE  63          1HD1      ILE  63   7.579  10.155  10.155
  111    H    LEU  64           H        LEU  64   8.775  10.908  10.908
  112    HA   LEU  64           HA       LEU  64   9.441  13.135  13.135
  113   1HB   LEU  64          2HB       LEU  64   7.184  12.805  12.805
  114   2HB   LEU  64          1HB       LEU  64   7.890  12.625  12.625
  115    HG   LEU  64           HG       LEU  64   8.596  14.869  14.869
  116   1HD1  LEU  64          2HD1      LEU  64   7.256  15.070  15.070
  117   2HD1  LEU  64          1HD1      LEU  64   7.868  16.450  16.450
  118   3HD1  LEU  64          3HD1      LEU  64   8.981  15.240  15.240
  119   1HD2  LEU  64          1HD2      LEU  64   6.308  14.336  14.336
  120   2HD2  LEU  64          3HD2      LEU  64   6.304  15.932  15.932
  121   3HD2  LEU  64          2HD2      LEU  64   5.665  14.559  14.559
  122    H    GLN  65           H        GLN  65  10.635  11.766  11.766
  123    HA   GLN  65           HA       GLN  65  12.176  14.251  14.251
  124   1HB   GLN  65          2HB       GLN  65  11.651  11.652  11.652
  125   2HB   GLN  65          1HB       GLN  65  13.097  12.554  12.554
  126   1HG   GLN  65          2HG       GLN  65  11.002  13.143  13.143
  127   2HG   GLN  65          1HG       GLN  65  11.868  14.493  14.493
  128   1HE2  GLN  65          2HE2      GLN  65   8.177  13.628  13.628
  129   2HE2  GLN  65          1HE2      GLN  65   9.036  12.370  12.370
  130    H    GLN  66           H        GLN  66  12.732  10.815  10.815
  131    HA   GLN  66           HA       GLN  66  15.524  11.074  11.074
  132   1HB   GLN  66          2HB       GLN  66  13.434   9.126   9.126
  133   2HB   GLN  66          1HB       GLN  66  15.144   8.857   8.857
  134   1HG   GLN  66          2HG       GLN  66  15.540   8.811   8.811
  135   2HG   GLN  66          1HG       GLN  66  13.851   9.163   9.163
  136   1HE2  GLN  66          2HE2      GLN  66  12.917   5.800   5.800
  137   2HE2  GLN  66          1HE2      GLN  66  12.484   7.411   7.411
  138    H    LEU  67           H        LEU  67  12.918  11.571  11.571
  139    HA   LEU  67           HA       LEU  67  14.907  11.881  11.881
  140   1HB   LEU  67          2HB       LEU  67  11.942  12.480  12.480
  141   2HB   LEU  67          1HB       LEU  67  12.981  12.410  12.410
  142    HG   LEU  67           HG       LEU  67  12.533  10.060  10.060
  143   1HD1  LEU  67          1HD1      LEU  67  10.503  10.634  10.634
  144   2HD1  LEU  67          3HD1      LEU  67  11.466  10.564  10.564
  145   3HD1  LEU  67          2HD1      LEU  67  11.184   9.104   9.104
  146   1HD2  LEU  67          2HD2      LEU  67  13.941  10.164  10.164
  147   2HD2  LEU  67          1HD2      LEU  67  14.749   9.953   9.953
  148   3HD2  LEU  67          3HD2      LEU  67  13.679   8.715   8.715
  149    H    LEU  68           H        LEU  68  13.124  13.959  13.959
  150    HA   LEU  68           HA       LEU  68  13.653  16.384  16.384
  151   1HB   LEU  68          2HB       LEU  68  11.858  16.321  16.321
  152   2HB   LEU  68          1HB       LEU  68  12.939  15.635  15.635
  153    HG   LEU  68           HG       LEU  68  14.193  17.610  17.610
  154   1HD1  LEU  68          3HD1      LEU  68  12.119  18.843  18.843
  155   2HD1  LEU  68          2HD1      LEU  68  13.330  19.783  19.783
  156   3HD1  LEU  68          1HD1      LEU  68  13.829  18.623  18.623
  157   1HD2  LEU  68          1HD2      LEU  68  12.272  17.335  17.335
  158   2HD2  LEU  68          3HD2      LEU  68  12.423  19.039  19.039
  159   3HD2  LEU  68          2HD2      LEU  68  11.183  18.065  18.065
  160    H    PHE  69           H        PHE  69  15.417  14.137  14.137
  161    HA   PHE  69           HA       PHE  69  17.476  16.025  16.025
  162   1HB   PHE  69          2HB       PHE  69  17.519  12.982  12.982
  163   2HB   PHE  69          1HB       PHE  69  18.832  13.874  13.874
  164    HD1  PHE  69           HD1      PHE  69  16.109  15.581  15.581
  165    HD2  PHE  69           HD2      PHE  69  17.932  11.728  11.728
  166    HE1  PHE  69           HE1      PHE  69  15.110  15.186  15.186
  167    HE2  PHE  69           HE2      PHE  69  16.934  11.340  11.340
  168    HZ   PHE  69           HZ       PHE  69  15.517  13.066  13.066
  169    H    ILE  70           H        ILE  70  17.071  13.724  13.724
  170    HA   ILE  70           HA       ILE  70  19.535  13.949  13.949
  171    HB   ILE  70           HB       ILE  70  16.882  13.719  13.719
  172   1HG1  ILE  70          2HG1      ILE  70  16.691  12.265  12.265
  173   2HG1  ILE  70          1HG1      ILE  70  17.015  11.239  11.239
  174   1HG2  ILE  70          1HG2      ILE  70  19.613  12.405  12.405
  175   2HG2  ILE  70          3HG2      ILE  70  18.189  12.175  12.175
  176   3HG2  ILE  70          2HG2      ILE  70  18.965  13.744  13.744
  177   1HD1  ILE  70          3HD1      ILE  70  19.412  11.096  11.096
  178   2HD1  ILE  70          2HD1      ILE  70  18.935  12.105  12.105
  179   3HD1  ILE  70          1HD1      ILE  70  18.222  10.530  10.530
  180    H    HIS  71           H        HIS  71  16.770  16.079  16.079
  181    HA   HIS  71           HA       HIS  71  17.676  17.692  17.692
  182   1HB   HIS  71          2HB       HIS  71  15.531  18.323  18.323
  183   2HB   HIS  71          1HB       HIS  71  15.898  18.125  18.125
  184    HD1  HIS  71           HD1      HIS  71  15.506  20.764  20.764
  185    HD2  HIS  71           HD2      HIS  71  17.663  20.117  20.117
  186    HE1  HIS  71           HE1      HIS  71  16.255  22.968  22.968
  187    H    PHE  72           H        PHE  72  18.536  17.786  17.786
  188    HA   PHE  72           HA       PHE  72  20.193  20.135  20.135
  189   1HB   PHE  72          2HB       PHE  72  19.226  19.166  19.166
  190   2HB   PHE  72          1HB       PHE  72  20.321  17.813  17.813
  191    HD1  PHE  72           HD2      PHE  72  20.359  21.561  21.561
  192    HD2  PHE  72           HD1      PHE  72  22.518  17.930  17.930
  193    HE1  PHE  72           HE2      PHE  72  22.180  22.808  22.808
  194    HE2  PHE  72           HE1      PHE  72  24.327  19.178  19.178
  195    HZ   PHE  72           HZ       PHE  72  24.161  21.621  21.621
  196    H    ARG  73           H        ARG  73  20.687  16.912  16.912
  197    HA   ARG  73           HA       ARG  73  23.613  16.995  16.995
  198   1HB   ARG  73          2HB       ARG  73  21.675  14.901  14.901
  199   2HB   ARG  73          1HB       ARG  73  23.327  14.614  14.614
  200   1HG   ARG  73          2HG       ARG  73  22.342  15.741  15.741
  201   2HG   ARG  73          1HG       ARG  73  20.856  15.252  15.252
  202   1HD   ARG  73          2HD       ARG  73  23.177  13.357  13.357
  203   2HD   ARG  73          1HD       ARG  73  21.610  13.374  13.374
  204    HE   ARG  73           HE       ARG  73  20.600  12.608  12.608
  205   1HH1  ARG  73          2HH1      ARG  73  22.472  13.190  13.190
  206   2HH1  ARG  73          1HH1      ARG  73  23.372  11.732  11.732
  207   1HH2  ARG  73          1HH2      ARG  73  22.326  10.453  10.453
  208   2HH2  ARG  73          2HH2      ARG  73  23.288  10.097  10.097
  209    H    ILE  74           H        ILE  74  20.977  16.923  16.923
  210    HA   ILE  74           HA       ILE  74  22.385  17.022  17.022
  211    HB   ILE  74           HB       ILE  74  19.587  17.687  17.687
  212   1HG1  ILE  74          2HG1      ILE  74  20.567  15.756  15.756
  213   2HG1  ILE  74          1HG1      ILE  74  20.325  15.368  15.368
  214   1HG2  ILE  74          1HG2      ILE  74  20.445  18.235  18.235
  215   2HG2  ILE  74          3HG2      ILE  74  18.799  18.330  18.330
  216   3HG2  ILE  74          2HG2      ILE  74  20.010  19.465  19.465
  217   1HD1  ILE  74          3HD1      ILE  74  17.897  15.906  15.906
  218   2HD1  ILE  74          2HD1      ILE  74  18.124  16.301  16.301
  219   3HD1  ILE  74          1HD1      ILE  74  18.383  14.666  14.666
  220    H    GLY  75           H        GLY  75  21.014  19.631  19.631
  221   1HA   GLY  75          2HA       GLY  75  22.056  21.795  21.795
  222   2HA   GLY  75          1HA       GLY  75  21.584  21.902  21.902
  223    H    CYS  76           H        CYS  76  23.313  20.472  20.472
  224    HA   CYS  76           HA       CYS  76  25.679  22.043  22.043
  225   1HB   CYS  76          2HB       CYS  76  24.801  20.833  20.833
  226   2HB   CYS  76          1HB       CYS  76  25.152  19.308  19.308
  227    HG   CYS  76           HG       CYS  76  27.553  19.491  19.491
  228    H    ARG  77           H        ARG  77  25.086  18.957  18.957
  229    HA   ARG  77           HA       ARG  77  27.889  18.558  18.558
  230   1HB   ARG  77          2HB       ARG  77  26.152  16.768  16.768
  231   2HB   ARG  77          1HB       ARG  77  25.456  17.008  17.008
  232   1HG   ARG  77          2HG       ARG  77  27.495  16.245  16.245
  233   2HG   ARG  77          1HG       ARG  77  28.338  16.160  16.160
  234   1HD   ARG  77          2HD       ARG  77  26.637  14.473  14.473
  235   2HD   ARG  77          1HD       ARG  77  25.872  14.513  14.513
  236    HE   ARG  77           HE       ARG  77  28.756  13.875  13.875
  237   1HH1  ARG  77          1HH2      ARG  77  28.077  12.808  12.808
  238   2HH1  ARG  77          2HH2      ARG  77  27.354  11.260  11.260
  239   1HH2  ARG  77          2HH1      ARG  77  26.686  11.961  11.961
  240   2HH2  ARG  77          1HH1      ARG  77  26.517  10.752  10.752
  241    H    HIS  78           H        HIS  78  25.008  19.774  19.774
  242    HA   HIS  78           HA       HIS  78  25.328  19.541  19.541
  243   1HB   HIS  78          2HB       HIS  78  24.141  21.554  21.554
  244   2HB   HIS  78          1HB       HIS  78  24.896  22.384  22.384
  245    HD1  HIS  78           HD1      HIS  78  21.781  21.864  21.864
  246    HD2  HIS  78           HD2      HIS  78  24.233  19.995  19.995
  247    HE1  HIS  78           HE1      HIS  78  20.371  20.981  20.981
  248    H    SER  79           H        SER  79  27.279  21.820  21.820
  249    HA   SER  79           HA       SER  79  29.201  23.032  23.032
  250   1HB   SER  79          2HB       SER  79  29.578  20.513  20.513
  251   2HB   SER  79          1HB       SER  79  30.858  21.663  21.663
  252    HG   SER  79           HG       SER  79  29.344  19.966  19.966
  253    H    ARG  80           H        ARG  80  27.017  23.908  23.908
  254    HA   ARG  80           HA       ARG  80  26.352  25.240  25.240
  255   1HB   ARG  80          2HB       ARG  80  29.343  25.635  25.635
  256   2HB   ARG  80          1HB       ARG  80  28.092  26.652  26.652
  257   1HG   ARG  80          2HG       ARG  80  28.798  27.852  27.852
  258   2HG   ARG  80          1HG       ARG  80  27.343  27.070  27.070
  259   1HD   ARG  80          2HD       ARG  80  28.541  25.485  25.485
  260   2HD   ARG  80          1HD       ARG  80  30.045  25.736  25.736
  261    HE   ARG  80           HE       ARG  80  29.203  27.191  27.191
  262   1HH1  ARG  80          2HH1      ARG  80  31.345  27.137  27.137
  263   2HH1  ARG  80          1HH1      ARG  80  31.890  28.775  28.775
  264   1HH2  ARG  80          1HH2      ARG  80  29.469  29.530  29.530
  265   2HH2  ARG  80          2HH2      ARG  80  30.788  30.161  30.161
  266    H    ILE  81           H        ILE  81  25.773  22.977  22.977
  267    HA   ILE  81           HA       ILE  81  27.403  22.599  22.599
  268    HB   ILE  81           HB       ILE  81  24.739  21.278  21.278
  269   1HG1  ILE  81          2HG1      ILE  81  27.636  20.374  20.374
  270   2HG1  ILE  81          1HG1      ILE  81  26.493  20.821  20.821
  271   1HG2  ILE  81          1HG2      ILE  81  25.301  21.146  21.146
  272   2HG2  ILE  81          3HG2      ILE  81  26.872  20.464  20.464
  273   3HG2  ILE  81          2HG2      ILE  81  25.404  19.570  19.570
  274   1HD1  ILE  81          1HD1      ILE  81  25.033  18.892  18.892
  275   2HD1  ILE  81          3HD1      ILE  81  26.203  18.395  18.395
  276   3HD1  ILE  81          2HD1      ILE  81  26.640  18.382  18.382
  277    H    GLY  82           H        GLY  82  26.850  23.468  23.468
  278   1HA   GLY  82          2HA       GLY  82  24.257  24.276  24.276
  279   2HA   GLY  82          1HA       GLY  82  25.170  25.688  25.688
  280   1HN   NH2  83          1HT       GLY  82  24.860  25.976  25.976
  281   2HN   NH2  83          2HT       GLY  82  26.180  25.442  25.442

  Start of MODEL    7
    1   1H    ACE  50          1HA       ACE  50  -5.836  -4.587  -4.587
    2   2H    ACE  50          2HA       ACE  50  -4.457  -4.704  -4.704
    3   3H    ACE  50          3HA       ACE  50  -5.473  -3.258  -3.258
    4    H    TYR  50           H        TYR  50  -2.529  -3.901  -3.901
    5    HA   TYR  50           HA       TYR  50  -2.458  -2.595  -2.595
    6   1HB   TYR  50          2HB       TYR  50  -0.081  -3.492  -3.492
    7   2HB   TYR  50          1HB       TYR  50  -1.285  -4.757  -4.757
    8    HD1  TYR  50           HD2      TYR  50   1.356  -2.905  -2.905
    9    HD2  TYR  50           HD1      TYR  50  -1.567  -5.991  -5.991
   10    HE1  TYR  50           HE2      TYR  50   2.377  -3.663  -3.663
   11    HE2  TYR  50           HE1      TYR  50  -0.538  -6.736  -6.736
   12    HH   TYR  50           HH       TYR  50   1.690  -6.606  -6.606
   13    H    GLY  51           H        GLY  51  -1.474  -2.210  -2.210
   14   1HA   GLY  51          2HA       GLY  51  -0.078   0.358   0.358
   15   2HA   GLY  51          1HA       GLY  51   0.276  -0.631  -0.631
   16    H    ASP  52           H        ASP  52  -1.409   2.063   2.063
   17    HA   ASP  52           HA       ASP  52  -2.983   2.056   2.056
   18   1HB   ASP  52          2HB       ASP  52  -4.441   1.426   1.426
   19   2HB   ASP  52          1HB       ASP  52  -4.046   2.974   2.974
   20    H    THR  53           H        THR  53  -3.739   4.750   4.750
   21    HA   THR  53           HA       THR  53  -2.482   6.616   6.616
   22    HB   THR  53           HB       THR  53  -4.323   7.153   7.153
   23    HG1  THR  53           HG1      THR  53  -2.517   8.847   8.847
   24   1HG2  THR  53          2HG2      THR  53  -3.455   5.812   5.812
   25   2HG2  THR  53          1HG2      THR  53  -2.169   6.992   6.992
   26   3HG2  THR  53          3HG2      THR  53  -3.843   7.468   7.468
   27    H    TRP  54           H        TRP  54  -1.087   5.209   5.209
   28    HA   TRP  54           HA       TRP  54   1.239   6.938   6.938
   29   1HB   TRP  54          2HB       TRP  54   2.198   5.567   5.567
   30   2HB   TRP  54          1HB       TRP  54   0.497   5.705   5.705
   31    HD1  TRP  54           HD1      TRP  54  -0.891   3.385   3.385
   32    HE1  TRP  54           HE1      TRP  54  -0.241   0.948   0.948
   33    HE3  TRP  54           HE3      TRP  54   3.817   4.011   4.011
   34    HZ2  TRP  54           HZ2      TRP  54   1.929  -0.500  -0.500
   35    HZ3  TRP  54           HZ3      TRP  54   5.209   1.996   1.996
   36    HH2  TRP  54           HH2      TRP  54   4.255  -0.263  -0.263
   37    H    ALA  55           H        ALA  55   0.672   3.634   3.634
   38    HA   ALA  55           HA       ALA  55   3.388   3.262   3.262
   39   1HB   ALA  55          2HB       ALA  55   0.834   1.953   1.953
   40   2HB   ALA  55          1HB       ALA  55   2.470   1.370   1.370
   41   3HB   ALA  55          3HB       ALA  55   1.790   1.338   1.338
   42    H    GLY  56           H        GLY  56   0.483   4.421   4.421
   43   1HA   GLY  56          2HA       GLY  56   1.381   4.836   4.836
   44   2HA   GLY  56          1HA       GLY  56   0.054   5.718   5.718
   45    H    VAL  57           H        VAL  57   1.334   7.049   7.049
   46    HA   VAL  57           HA       VAL  57   2.674   9.114   9.114
   47    HB   VAL  57           HB       VAL  57   1.217   9.417   9.417
   48   1HG1  VAL  57          2HG1      VAL  57   2.526   7.903   7.903
   49   2HG1  VAL  57          1HG1      VAL  57   3.930   8.939   8.939
   50   3HG1  VAL  57          3HG1      VAL  57   2.478   9.523   9.523
   51   1HG2  VAL  57          1HG2      VAL  57   3.836  10.946  10.946
   52   2HG2  VAL  57          3HG2      VAL  57   2.323  11.308  11.308
   53   3HG2  VAL  57          2HG2      VAL  57   2.458  11.506  11.506
   54    H    GLU  58           H        GLU  58   3.703   6.606   6.606
   55    HA   GLU  58           HA       GLU  58   6.443   7.536   7.536
   56   1HB   GLU  58          2HB       GLU  58   5.332   5.936   5.936
   57   2HB   GLU  58          1HB       GLU  58   5.180   4.745   4.745
   58   1HG   GLU  58          2HG       GLU  58   7.776   5.733   5.733
   59   2HG   GLU  58          1HG       GLU  58   6.967   4.220   4.220
   60    H    ALA  59           H        ALA  59   4.556   5.842   5.842
   61    HA   ALA  59           HA       ALA  59   6.712   4.758   4.758
   62   1HB   ALA  59          3HB       ALA  59   3.701   4.979   4.979
   63   2HB   ALA  59          2HB       ALA  59   4.822   4.058   4.058
   64   3HB   ALA  59          1HB       ALA  59   4.521   3.580   3.580
   65    H    ILE  60           H        ILE  60   4.375   7.433   7.433
   66    HA   ILE  60           HA       ILE  60   5.512   8.232   8.232
   67    HB   ILE  60           HB       ILE  60   4.260  10.420  10.420
   68   1HG1  ILE  60          2HG1      ILE  60   2.774   9.280   9.280
   69   2HG1  ILE  60          1HG1      ILE  60   4.335   9.975   9.975
   70   1HG2  ILE  60          2HG2      ILE  60   2.639   7.860   7.860
   71   2HG2  ILE  60          1HG2      ILE  60   1.986   9.391   9.391
   72   3HG2  ILE  60          3HG2      ILE  60   3.163   8.535   8.535
   73   1HD1  ILE  60          2HD1      ILE  60   3.665  12.082  12.082
   74   2HD1  ILE  60          1HD1      ILE  60   2.076  11.375  11.375
   75   3HD1  ILE  60          3HD1      ILE  60   2.614  11.711  11.711
   76    H    ILE  61           H        ILE  61   6.028   8.794   8.794
   77    HA   ILE  61           HA       ILE  61   7.622  11.041  11.041
   78    HB   ILE  61           HB       ILE  61   7.140   9.030   9.030
   79   1HG1  ILE  61          2HG1      ILE  61   7.315  12.083  12.083
   80   2HG1  ILE  61          1HG1      ILE  61   5.851  11.186  11.186
   81   1HG2  ILE  61          1HG2      ILE  61   9.654  10.601  10.601
   82   2HG2  ILE  61          3HG2      ILE  61   8.792   9.696   9.696
   83   3HG2  ILE  61          2HG2      ILE  61   9.435   8.852   8.852
   84   1HD1  ILE  61          1HD1      ILE  61   5.975  10.109  10.109
   85   2HD1  ILE  61          3HD1      ILE  61   7.423  11.034  11.034
   86   3HD1  ILE  61          2HD1      ILE  61   5.896  11.857  11.857
   87    H    ARG  62           H        ARG  62   8.087   7.729   7.729
   88    HA   ARG  62           HA       ARG  62  10.966   7.675   7.675
   89   1HB   ARG  62          2HB       ARG  62   8.983   5.750   5.750
   90   2HB   ARG  62          1HB       ARG  62   9.458   5.660   5.660
   91   1HG   ARG  62          2HG       ARG  62  10.721   4.038   4.038
   92   2HG   ARG  62          1HG       ARG  62  11.827   5.283   5.283
   93   1HD   ARG  62          2HD       ARG  62  11.885   6.339   6.339
   94   2HD   ARG  62          1HD       ARG  62  10.513   5.395   5.395
   95    HE   ARG  62           HE       ARG  62  13.290   4.504   4.504
   96   1HH1  ARG  62          1HH2      ARG  62  11.786   2.506   2.506
   97   2HH1  ARG  62          2HH2      ARG  62  11.235   1.392   1.392
   98   1HH2  ARG  62          2HH1      ARG  62  11.817   3.700   3.700
   99   2HH2  ARG  62          1HH1      ARG  62  11.246   2.107   2.107
  100    H    ILE  63           H        ILE  63   8.929   8.425   8.425
  101    HA   ILE  63           HA       ILE  63  11.421   8.350   8.350
  102    HB   ILE  63           HB       ILE  63   9.579   8.910   8.910
  103   1HG1  ILE  63          2HG1      ILE  63   7.450   7.606   7.606
  104   2HG1  ILE  63          1HG1      ILE  63   7.859   7.564   7.564
  105   1HG2  ILE  63          1HG2      ILE  63   9.936   6.148   6.148
  106   2HG2  ILE  63          3HG2      ILE  63   9.342   6.463   6.463
  107   3HG2  ILE  63          2HG2      ILE  63  10.983   6.895   6.895
  108   1HD1  ILE  63          2HD1      ILE  63   7.399  10.073  10.073
  109   2HD1  ILE  63          1HD1      ILE  63   6.300   9.400   9.400
  110   3HD1  ILE  63          3HD1      ILE  63   7.821  10.083  10.083
  111    H    LEU  64           H        LEU  64   9.220  10.483  10.483
  112    HA   LEU  64           HA       LEU  64   9.845  12.837  12.837
  113   1HB   LEU  64          2HB       LEU  64   7.647  12.366  12.366
  114   2HB   LEU  64          1HB       LEU  64   8.371  12.106  12.106
  115    HG   LEU  64           HG       LEU  64   9.038  14.383  14.383
  116   1HD1  LEU  64          3HD1      LEU  64   7.564  14.696  14.696
  117   2HD1  LEU  64          2HD1      LEU  64   8.151  16.038  16.038
  118   3HD1  LEU  64          1HD1      LEU  64   9.289  14.914  14.914
  119   1HD2  LEU  64          3HD2      LEU  64   6.779  13.713  13.713
  120   2HD2  LEU  64          2HD2      LEU  64   6.702  15.346  15.346
  121   3HD2  LEU  64          1HD2      LEU  64   6.066  14.016  14.016
  122    H    GLN  65           H        GLN  65  10.724  11.609  11.609
  123    HA   GLN  65           HA       GLN  65  12.402  13.933  13.933
  124   1HB   GLN  65          2HB       GLN  65  11.836  11.288  11.288
  125   2HB   GLN  65          1HB       GLN  65  13.317  12.090  12.090
  126   1HG   GLN  65          2HG       GLN  65  11.292  12.747  12.747
  127   2HG   GLN  65          1HG       GLN  65  12.023  14.119  14.119
  128   1HE2  GLN  65          2HE2      GLN  65   8.439  12.849  12.849
  129   2HE2  GLN  65          1HE2      GLN  65   9.474  11.663  11.663
  130    H    GLN  66           H        GLN  66  12.755  10.767  10.767
  131    HA   GLN  66           HA       GLN  66  15.621  10.782  10.782
  132   1HB   GLN  66          2HB       GLN  66  13.295   9.252   9.252
  133   2HB   GLN  66          1HB       GLN  66  14.897   8.938   8.938
  134   1HG   GLN  66          2HG       GLN  66  14.228   7.399   7.399
  135   2HG   GLN  66          1HG       GLN  66  15.714   8.274   8.274
  136   1HE2  GLN  66          2HE2      GLN  66  12.459   9.570   9.570
  137   2HE2  GLN  66          1HE2      GLN  66  12.231   9.104   9.104
  138    H    LEU  67           H        LEU  67  13.051  11.481  11.481
  139    HA   LEU  67           HA       LEU  67  15.082  12.345  12.345
  140   1HB   LEU  67          2HB       LEU  67  13.171  12.985  12.985
  141   2HB   LEU  67          1HB       LEU  67  12.666  11.559  11.559
  142    HG   LEU  67           HG       LEU  67  11.605  13.191  13.191
  143   1HD1  LEU  67          2HD1      LEU  67  12.548  15.380  15.380
  144   2HD1  LEU  67          1HD1      LEU  67  11.735  15.053  15.053
  145   3HD1  LEU  67          3HD1      LEU  67  10.806  15.349  15.349
  146   1HD2  LEU  67          2HD2      LEU  67  10.264  11.740  11.740
  147   2HD2  LEU  67          1HD2      LEU  67   9.495  13.302  13.302
  148   3HD2  LEU  67          3HD2      LEU  67  10.425  12.943  12.943
  149    H    LEU  68           H        LEU  68  13.401  13.935  13.935
  150    HA   LEU  68           HA       LEU  68  14.060  16.583  16.583
  151   1HB   LEU  68          2HB       LEU  68  12.225  16.226  16.226
  152   2HB   LEU  68          1HB       LEU  68  13.290  15.322  15.322
  153    HG   LEU  68           HG       LEU  68  14.622  17.186  17.186
  154   1HD1  LEU  68          1HD1      LEU  68  12.630  18.817  18.817
  155   2HD1  LEU  68          3HD1      LEU  68  13.868  19.548  19.548
  156   3HD1  LEU  68          2HD1      LEU  68  14.333  18.577  18.577
  157   1HD2  LEU  68          3HD2      LEU  68  11.654  17.736  17.736
  158   2HD2  LEU  68          2HD2      LEU  68  12.735  16.799  16.799
  159   3HD2  LEU  68          1HD2      LEU  68  12.956  18.532  18.532
  160    H    PHE  69           H        PHE  69  15.707  13.888  13.888
  161    HA   PHE  69           HA       PHE  69  17.861  15.551  15.551
  162   1HB   PHE  69          2HB       PHE  69  17.694  13.531  13.531
  163   2HB   PHE  69          1HB       PHE  69  17.199  12.613  12.613
  164    HD1  PHE  69           HD2      PHE  69  20.234  14.379  14.379
  165    HD2  PHE  69           HD1      PHE  69  18.651  11.147  11.147
  166    HE1  PHE  69           HE2      PHE  69  22.473  13.466  13.466
  167    HE2  PHE  69           HE1      PHE  69  20.879  10.235  10.235
  168    HZ   PHE  69           HZ       PHE  69  22.833  11.397  11.397
  169    H    ILE  70           H        ILE  70  17.337  13.349  13.349
  170    HA   ILE  70           HA       ILE  70  19.809  13.600  13.600
  171    HB   ILE  70           HB       ILE  70  16.983  13.049  13.049
  172   1HG1  ILE  70          2HG1      ILE  70  19.190  10.997  10.997
  173   2HG1  ILE  70          1HG1      ILE  70  18.255  11.614  11.614
  174   1HG2  ILE  70          3HG2      ILE  70  19.682  12.376  12.376
  175   2HG2  ILE  70          2HG2      ILE  70  18.114  11.903  11.903
  176   3HG2  ILE  70          1HG2      ILE  70  18.568  13.595  13.595
  177   1HD1  ILE  70          2HD1      ILE  70  17.028  10.243  10.243
  178   2HD1  ILE  70          1HD1      ILE  70  17.328   9.528   9.528
  179   3HD1  ILE  70          3HD1      ILE  70  16.183  10.817  10.817
  180    H    HIS  71           H        HIS  71  16.916  15.572  15.572
  181    HA   HIS  71           HA       HIS  71  17.591  17.278  17.278
  182   1HB   HIS  71          2HB       HIS  71  15.463  17.753  17.753
  183   2HB   HIS  71          1HB       HIS  71  15.978  17.529  17.529
  184    HD1  HIS  71           HD1      HIS  71  15.277  20.216  20.216
  185    HD2  HIS  71           HD2      HIS  71  17.635  19.583  19.583
  186    HE1  HIS  71           HE1      HIS  71  15.938  22.438  22.438
  187    H    PHE  72           H        PHE  72  18.588  17.471  17.471
  188    HA   PHE  72           HA       PHE  72  20.142  19.883  19.883
  189   1HB   PHE  72          2HB       PHE  72  19.228  18.808  18.808
  190   2HB   PHE  72          1HB       PHE  72  20.441  17.562  17.562
  191    HD1  PHE  72           HD2      PHE  72  22.821  18.070  18.070
  192    HD2  PHE  72           HD1      PHE  72  19.859  21.100  21.100
  193    HE1  PHE  72           HE2      PHE  72  24.456  19.501  19.501
  194    HE2  PHE  72           HE1      PHE  72  21.494  22.534  22.534
  195    HZ   PHE  72           HZ       PHE  72  23.796  21.737  21.737
  196    H    ARG  73           H        ARG  73  20.783  16.747  16.747
  197    HA   ARG  73           HA       ARG  73  23.706  17.088  17.088
  198   1HB   ARG  73          2HB       ARG  73  21.760  14.829  14.829
  199   2HB   ARG  73          1HB       ARG  73  23.482  14.622  14.622
  200   1HG   ARG  73          2HG       ARG  73  22.802  15.974  15.974
  201   2HG   ARG  73          1HG       ARG  73  21.434  14.973  14.973
  202   1HD   ARG  73          2HD       ARG  73  23.185  13.749  13.749
  203   2HD   ARG  73          1HD       ARG  73  22.923  12.942  12.942
  204    HE   ARG  73           HE       ARG  73  25.002  14.830  14.830
  205   1HH1  ARG  73          1HH2      ARG  73  25.469  13.731  13.731
  206   2HH1  ARG  73          2HH2      ARG  73  26.591  12.449  12.449
  207   1HH2  ARG  73          2HH1      ARG  73  25.870  12.440  12.440
  208   2HH2  ARG  73          1HH1      ARG  73  26.812  11.687  11.687
  209    H    ILE  74           H        ILE  74  20.954  16.699  16.699
  210    HA   ILE  74           HA       ILE  74  22.135  16.911  16.911
  211    HB   ILE  74           HB       ILE  74  19.384  17.425  17.425
  212   1HG1  ILE  74          2HG1      ILE  74  20.410  15.412  15.412
  213   2HG1  ILE  74          1HG1      ILE  74  20.198  15.132  15.132
  214   1HG2  ILE  74          3HG2      ILE  74  19.593  19.112  19.112
  215   2HG2  ILE  74          2HG2      ILE  74  20.020  17.822  17.822
  216   3HG2  ILE  74          1HG2      ILE  74  18.417  17.874  17.874
  217   1HD1  ILE  74          2HD1      ILE  74  17.735  15.548  15.548
  218   2HD1  ILE  74          1HD1      ILE  74  17.963  15.807  15.807
  219   3HD1  ILE  74          3HD1      ILE  74  18.284  14.236  14.236
  220    H    GLY  75           H        GLY  75  20.840  19.390  19.390
  221   1HA   GLY  75          2HA       GLY  75  21.352  21.680  21.680
  222   2HA   GLY  75          1HA       GLY  75  21.295  21.700  21.700
  223    H    CYS  76           H        CYS  76  23.372  20.613  20.613
  224    HA   CYS  76           HA       CYS  76  25.563  22.321  22.321
  225   1HB   CYS  76          2HB       CYS  76  26.894  20.782  20.782
  226   2HB   CYS  76          1HB       CYS  76  25.351  21.145  21.145
  227    HG   CYS  76           HG       CYS  76  26.296  18.371  18.371
  228    H    ARG  77           H        ARG  77  24.949  19.036  19.036
  229    HA   ARG  77           HA       ARG  77  27.485  18.947  18.947
  230   1HB   ARG  77          2HB       ARG  77  24.958  17.271  17.271
  231   2HB   ARG  77          1HB       ARG  77  26.066  17.117  17.117
  232   1HG   ARG  77          2HG       ARG  77  26.580  15.445  15.445
  233   2HG   ARG  77          1HG       ARG  77  27.914  16.553  16.553
  234   1HD   ARG  77          2HD       ARG  77  27.190  17.817  17.817
  235   2HD   ARG  77          1HD       ARG  77  25.916  16.625  16.625
  236    HE   ARG  77           HE       ARG  77  27.609  14.955  14.955
  237   1HH1  ARG  77          1HH2      ARG  77  29.888  15.734  15.734
  238   2HH1  ARG  77          2HH2      ARG  77  30.941  16.504  16.504
  239   1HH2  ARG  77          2HH1      ARG  77  28.374  17.010  17.010
  240   2HH2  ARG  77          1HH1      ARG  77  30.057  17.263  17.263
  241    H    HIS  78           H        HIS  78  24.326  20.272  20.272
  242    HA   HIS  78           HA       HIS  78  24.865  20.480  20.480
  243   1HB   HIS  78          2HB       HIS  78  22.517  20.584  20.584
  244   2HB   HIS  78          1HB       HIS  78  22.890  22.240  22.240
  245    HD1  HIS  78           HD1      HIS  78  22.512  23.942  23.942
  246    HD2  HIS  78           HD2      HIS  78  22.773  20.008  20.008
  247    HE1  HIS  78           HE1      HIS  78  21.994  23.866  23.866
  248    H    SER  79           H        SER  79  24.637  23.019  23.019
  249    HA   SER  79           HA       SER  79  27.131  24.203  24.203
  250   1HB   SER  79          2HB       SER  79  26.397  24.603  24.603
  251   2HB   SER  79          1HB       SER  79  25.193  25.713  25.713
  252    HG   SER  79           HG       SER  79  27.778  26.125  26.125
  253    H    ARG  80           H        ARG  80  26.822  24.761  24.761
  254    HA   ARG  80           HA       ARG  80  24.964  27.046  27.046
  255   1HB   ARG  80          2HB       ARG  80  25.391  24.570  24.570
  256   2HB   ARG  80          1HB       ARG  80  25.521  25.970  25.970
  257   1HG   ARG  80          2HG       ARG  80  23.149  25.321  25.321
  258   2HG   ARG  80          1HG       ARG  80  23.197  25.147  25.147
  259   1HD   ARG  80          2HD       ARG  80  22.122  27.235  27.235
  260   2HD   ARG  80          1HD       ARG  80  23.791  27.760  27.760
  261    HE   ARG  80           HE       ARG  80  22.473  27.438  27.438
  262   1HH1  ARG  80          2HH1      ARG  80  24.402  28.350  28.350
  263   2HH1  ARG  80          1HH1      ARG  80  24.753  29.995  29.995
  264   1HH2  ARG  80          1HH2      ARG  80  22.916  29.913  29.913
  265   2HH2  ARG  80          2HH2      ARG  80  23.914  30.887  30.887
  266    H    ILE  81           H        ILE  81  27.706  27.121  27.121
  267    HA   ILE  81           HA       ILE  81  29.186  28.328  28.328
  268    HB   ILE  81           HB       ILE  81  30.010  28.131  28.131
  269   1HG1  ILE  81          2HG1      ILE  81  31.566  26.221  26.221
  270   2HG1  ILE  81          1HG1      ILE  81  30.321  26.133  26.133
  271   1HG2  ILE  81          1HG2      ILE  81  31.654  28.546  28.546
  272   2HG2  ILE  81          3HG2      ILE  81  32.308  28.404  28.404
  273   3HG2  ILE  81          2HG2      ILE  81  31.297  29.771  29.771
  274   1HD1  ILE  81          2HD1      ILE  81  29.888  25.726  25.726
  275   2HD1  ILE  81          1HD1      ILE  81  29.980  24.459  24.459
  276   3HD1  ILE  81          3HD1      ILE  81  28.637  25.569  25.569
  277    H    GLY  82           H        GLY  82  27.509  29.888  29.888
  278   1HA   GLY  82          2HA       GLY  82  26.847  32.159  32.159
  279   2HA   GLY  82          1HA       GLY  82  28.079  32.442  32.442
  280   1HN   NH2  83          1HT       GLY  82  27.429  31.168  31.168
  281   2HN   NH2  83          2HT       GLY  82  25.805  31.360  31.360

  Start of MODEL    8
    1   1H    ACE  50          1HA       ACE  50  -8.291   0.856   0.856
    2   2H    ACE  50          2HA       ACE  50  -7.247   1.871   1.871
    3   3H    ACE  50          3HA       ACE  50  -8.327   0.695   0.695
    4    H    TYR  50           H        TYR  50  -6.289  -0.006  -0.006
    5    HA   TYR  50           HA       TYR  50  -4.722  -1.676  -1.676
    6   1HB   TYR  50          2HB       TYR  50  -6.347  -3.063  -3.063
    7   2HB   TYR  50          1HB       TYR  50  -5.279  -2.679  -2.679
    8    HD1  TYR  50           HD2      TYR  50  -5.501  -4.418  -4.418
    9    HD2  TYR  50           HD1      TYR  50  -3.095  -3.767  -3.767
   10    HE1  TYR  50           HE2      TYR  50  -4.043  -6.265  -6.265
   11    HE2  TYR  50           HE1      TYR  50  -1.640  -5.626  -5.626
   12    HH   TYR  50           HH       TYR  50  -2.455  -7.887  -7.887
   13    H    GLY  51           H        GLY  51  -4.502  -0.243  -0.243
   14   1HA   GLY  51          2HA       GLY  51  -1.865   0.824   0.824
   15   2HA   GLY  51          1HA       GLY  51  -1.717  -0.664  -0.664
   16    H    ASP  52           H        ASP  52  -3.004   2.589   2.589
   17    HA   ASP  52           HA       ASP  52  -3.144   2.390   2.390
   18   1HB   ASP  52          2HB       ASP  52  -5.021   3.991   3.991
   19   2HB   ASP  52          1HB       ASP  52  -5.094   3.949   3.949
   20    H    THR  53           H        THR  53  -3.967   5.471   5.471
   21    HA   THR  53           HA       THR  53  -2.169   6.969   6.969
   22    HB   THR  53           HB       THR  53  -3.089   7.631   7.631
   23    HG1  THR  53           HG1      THR  53  -4.928   8.132   8.132
   24   1HG2  THR  53          2HG2      THR  53  -3.130   9.187   9.187
   25   2HG2  THR  53          1HG2      THR  53  -3.520   9.839   9.839
   26   3HG2  THR  53          3HG2      THR  53  -1.871   9.388   9.388
   27    H    TRP  54           H        TRP  54  -1.326   5.340   5.340
   28    HA   TRP  54           HA       TRP  54   1.036   6.885   6.885
   29   1HB   TRP  54          2HB       TRP  54   0.186   5.623   5.623
   30   2HB   TRP  54          1HB       TRP  54   0.022   4.164   4.164
   31    HD1  TRP  54           HD1      TRP  54   1.493   2.540   2.540
   32    HE1  TRP  54           HE1      TRP  54   3.944   2.327   2.327
   33    HE3  TRP  54           HE3      TRP  54   2.855   7.293   7.293
   34    HZ2  TRP  54           HZ2      TRP  54   6.120   3.984   3.984
   35    HZ3  TRP  54           HZ3      TRP  54   5.191   7.979   7.979
   36    HH2  TRP  54           HH2      TRP  54   6.821   6.316   6.316
   37    H    ALA  55           H        ALA  55   0.429   3.730   3.730
   38    HA   ALA  55           HA       ALA  55   3.097   3.312   3.312
   39   1HB   ALA  55          3HB       ALA  55   1.474   1.490   1.490
   40   2HB   ALA  55          2HB       ALA  55   0.471   2.113   2.113
   41   3HB   ALA  55          1HB       ALA  55   2.062   1.441   1.441
   42    H    GLY  56           H        GLY  56   0.138   4.300   4.300
   43   1HA   GLY  56          2HA       GLY  56   1.030   4.655   4.655
   44   2HA   GLY  56          1HA       GLY  56  -0.235   5.643   5.643
   45    H    VAL  57           H        VAL  57   1.180   6.928   6.928
   46    HA   VAL  57           HA       VAL  57   2.628   8.920   8.920
   47    HB   VAL  57           HB       VAL  57   1.932   8.795   8.795
   48   1HG1  VAL  57          1HG1      VAL  57   2.992  11.138  11.138
   49   2HG1  VAL  57          3HG1      VAL  57   2.486  11.214  11.214
   50   3HG1  VAL  57          2HG1      VAL  57   3.899  10.285  10.285
   51   1HG2  VAL  57          1HG2      VAL  57   0.699  10.325  10.325
   52   2HG2  VAL  57          3HG2      VAL  57  -0.029   8.942   8.942
   53   3HG2  VAL  57          2HG2      VAL  57   0.157  10.445  10.445
   54    H    GLU  58           H        GLU  58   3.476   6.474   6.474
   55    HA   GLU  58           HA       GLU  58   6.194   7.482   7.482
   56   1HB   GLU  58          2HB       GLU  58   5.103   5.940   5.940
   57   2HB   GLU  58          1HB       GLU  58   5.112   4.654   4.654
   58   1HG   GLU  58          2HG       GLU  58   7.583   4.694   4.694
   59   2HG   GLU  58          1HG       GLU  58   7.626   6.107   6.107
   60    H    ALA  59           H        ALA  59   4.426   5.689   5.689
   61    HA   ALA  59           HA       ALA  59   6.710   4.468   4.468
   62   1HB   ALA  59          1HB       ALA  59   3.792   4.767   4.767
   63   2HB   ALA  59          3HB       ALA  59   4.991   3.771   3.771
   64   3HB   ALA  59          2HB       ALA  59   4.472   3.372   3.372
   65    H    ILE  60           H        ILE  60   4.648   7.291   7.291
   66    HA   ILE  60           HA       ILE  60   5.975   7.919   7.919
   67    HB   ILE  60           HB       ILE  60   4.770  10.191  10.191
   68   1HG1  ILE  60          2HG1      ILE  60   2.965   9.069   9.069
   69   2HG1  ILE  60          1HG1      ILE  60   4.467   9.715   9.715
   70   1HG2  ILE  60          1HG2      ILE  60   3.059   7.672   7.672
   71   2HG2  ILE  60          3HG2      ILE  60   2.530   9.222   9.222
   72   3HG2  ILE  60          2HG2      ILE  60   3.807   8.338   8.338
   73   1HD1  ILE  60          1HD1      ILE  60   2.501  11.220  11.220
   74   2HD1  ILE  60          3HD1      ILE  60   2.770  11.487  11.487
   75   3HD1  ILE  60          2HD1      ILE  60   4.036  11.862  11.862
   76    H    ILE  61           H        ILE  61   6.104   8.725   8.725
   77    HA   ILE  61           HA       ILE  61   7.796  10.910  10.910
   78    HB   ILE  61           HB       ILE  61   7.126   8.740   8.740
   79   1HG1  ILE  61          2HG1      ILE  61   7.564  11.716  11.716
   80   2HG1  ILE  61          1HG1      ILE  61   6.038  10.982  10.982
   81   1HG2  ILE  61          3HG2      ILE  61   9.766  10.074  10.074
   82   2HG2  ILE  61          2HG2      ILE  61   8.842   9.096   9.096
   83   3HG2  ILE  61          1HG2      ILE  61   9.456   8.369   8.369
   84   1HD1  ILE  61          3HD1      ILE  61   6.033   9.661   9.661
   85   2HD1  ILE  61          2HD1      ILE  61   7.540  10.424  10.424
   86   3HD1  ILE  61          1HD1      ILE  61   6.094  11.388  11.388
   87    H    ARG  62           H        ARG  62   8.402   7.600   7.600
   88    HA   ARG  62           HA       ARG  62  11.281   7.751   7.751
   89   1HB   ARG  62          2HB       ARG  62   9.295   5.783   5.783
   90   2HB   ARG  62          1HB       ARG  62  10.922   5.629   5.629
   91   1HG   ARG  62          2HG       ARG  62  10.246   5.715   5.715
   92   2HG   ARG  62          1HG       ARG  62  10.405   4.229   4.229
   93   1HD   ARG  62          2HD       ARG  62  12.767   5.027   5.027
   94   2HD   ARG  62          1HD       ARG  62  12.579   6.341   6.341
   95    HE   ARG  62           HE       ARG  62  13.193   4.813   4.813
   96   1HH1  ARG  62          2HH1      ARG  62  13.021   2.995   2.995
   97   2HH1  ARG  62          1HH1      ARG  62  12.451   1.532   1.532
   98   1HH2  ARG  62          1HH2      ARG  62  11.787   3.111   3.111
   99   2HH2  ARG  62          2HH2      ARG  62  11.725   1.610   1.610
  100    H    ILE  63           H        ILE  63   9.267   7.815   7.815
  101    HA   ILE  63           HA       ILE  63  11.611   8.360   8.360
  102    HB   ILE  63           HB       ILE  63   9.700   8.802   8.802
  103   1HG1  ILE  63          2HG1      ILE  63   7.671   7.358   7.358
  104   2HG1  ILE  63          1HG1      ILE  63   8.089   7.349   7.349
  105   1HG2  ILE  63          2HG2      ILE  63  11.235   6.885   6.885
  106   2HG2  ILE  63          1HG2      ILE  63  10.258   6.079   6.079
  107   3HG2  ILE  63          3HG2      ILE  63   9.617   6.340   6.340
  108   1HD1  ILE  63          1HD1      ILE  63   7.443   9.807   9.807
  109   2HD1  ILE  63          3HD1      ILE  63   6.413   9.072   9.072
  110   3HD1  ILE  63          2HD1      ILE  63   7.887   9.865   9.865
  111    H    LEU  64           H        LEU  64   9.191  10.322  10.322
  112    HA   LEU  64           HA       LEU  64   9.734  12.703  12.703
  113   1HB   LEU  64          2HB       LEU  64   7.597  12.180  12.180
  114   2HB   LEU  64          1HB       LEU  64   8.489  11.933  11.933
  115    HG   LEU  64           HG       LEU  64   9.114  14.209  14.209
  116   1HD1  LEU  64          3HD1      LEU  64   7.378  14.537  14.537
  117   2HD1  LEU  64          2HD1      LEU  64   8.039  15.871  15.871
  118   3HD1  LEU  64          1HD1      LEU  64   9.117  14.786  14.786
  119   1HD2  LEU  64          1HD2      LEU  64   6.973  13.488  13.488
  120   2HD2  LEU  64          3HD2      LEU  64   6.793  15.124  15.124
  121   3HD2  LEU  64          2HD2      LEU  64   6.093  13.791  13.791
  122    H    GLN  65           H        GLN  65  11.050  11.148  11.148
  123    HA   GLN  65           HA       GLN  65  12.739  13.476  13.476
  124   1HB   GLN  65          2HB       GLN  65  12.453  10.661  10.661
  125   2HB   GLN  65          1HB       GLN  65  13.955  11.491  11.491
  126   1HG   GLN  65          2HG       GLN  65  12.511  11.938  11.938
  127   2HG   GLN  65          1HG       GLN  65  12.658  13.430  13.430
  128   1HE2  GLN  65          2HE2      GLN  65   9.126  13.068  13.068
  129   2HE2  GLN  65          1HE2      GLN  65  10.608  13.259  13.259
  130    H    GLN  66           H        GLN  66  13.191  10.231  10.231
  131    HA   GLN  66           HA       GLN  66  15.881  10.462  10.462
  132   1HB   GLN  66          2HB       GLN  66  13.462   9.060   9.060
  133   2HB   GLN  66          1HB       GLN  66  14.982   8.834   8.834
  134   1HG   GLN  66          2HG       GLN  66  16.004   7.967   7.967
  135   2HG   GLN  66          1HG       GLN  66  14.530   8.313   8.313
  136   1HE2  GLN  66          2HE2      GLN  66  13.059   5.259   5.259
  137   2HE2  GLN  66          1HE2      GLN  66  12.931   6.686   6.686
  138    H    LEU  67           H        LEU  67  13.115  11.504  11.504
  139    HA   LEU  67           HA       LEU  67  14.833  12.523  12.523
  140   1HB   LEU  67          2HB       LEU  67  11.836  12.914  12.914
  141   2HB   LEU  67          1HB       LEU  67  12.607  13.318  13.318
  142    HG   LEU  67           HG       LEU  67  12.721  10.509  10.509
  143   1HD1  LEU  67          3HD1      LEU  67  10.809  11.563  11.563
  144   2HD1  LEU  67          2HD1      LEU  67  10.919   9.891   9.891
  145   3HD1  LEU  67          1HD1      LEU  67  10.355  11.125  11.125
  146   1HD2  LEU  67          1HD2      LEU  67  14.489  11.037  11.037
  147   2HD2  LEU  67          3HD2      LEU  67  13.364   9.838   9.838
  148   3HD2  LEU  67          2HD2      LEU  67  13.233  11.498  11.498
  149    H    LEU  68           H        LEU  68  13.317  13.873  13.873
  150    HA   LEU  68           HA       LEU  68  13.768  16.604  16.604
  151   1HB   LEU  68          2HB       LEU  68  12.195  16.134  16.134
  152   2HB   LEU  68          1HB       LEU  68  13.379  15.123  15.123
  153    HG   LEU  68           HG       LEU  68  14.786  16.966  16.966
  154   1HD1  LEU  68          1HD1      LEU  68  12.597  18.735  18.735
  155   2HD1  LEU  68          3HD1      LEU  68  13.990  19.360  19.360
  156   3HD1  LEU  68          2HD1      LEU  68  14.219  18.512  18.512
  157   1HD2  LEU  68          1HD2      LEU  68  11.925  17.454  17.454
  158   2HD2  LEU  68          3HD2      LEU  68  13.124  16.441  16.441
  159   3HD2  LEU  68          2HD2      LEU  68  13.338  18.180  18.180
  160    H    PHE  69           H        PHE  69  15.595  13.880  13.880
  161    HA   PHE  69           HA       PHE  69  17.933  15.452  15.452
  162   1HB   PHE  69          2HB       PHE  69  17.846  12.499  12.499
  163   2HB   PHE  69          1HB       PHE  69  19.155  13.272  13.272
  164    HD1  PHE  69           HD1      PHE  69  16.783  14.725  14.725
  165    HD2  PHE  69           HD2      PHE  69  18.059  10.770  10.770
  166    HE1  PHE  69           HE1      PHE  69  15.867  13.918  13.918
  167    HE2  PHE  69           HE2      PHE  69  17.137   9.963   9.963
  168    HZ   PHE  69           HZ       PHE  69  16.041  11.528  11.528
  169    H    ILE  70           H        ILE  70  17.070  13.468  13.468
  170    HA   ILE  70           HA       ILE  70  19.317  13.850  13.850
  171    HB   ILE  70           HB       ILE  70  16.391  13.381  13.381
  172   1HG1  ILE  70          2HG1      ILE  70  17.306  11.564  11.564
  173   2HG1  ILE  70          1HG1      ILE  70  18.927  12.149  12.149
  174   1HG2  ILE  70          1HG2      ILE  70  18.029  14.307  14.307
  175   2HG2  ILE  70          3HG2      ILE  70  16.438  13.573  13.573
  176   3HG2  ILE  70          2HG2      ILE  70  16.632  15.136  15.136
  177   1HD1  ILE  70          2HD1      ILE  70  18.561  11.623  11.623
  178   2HD1  ILE  70          1HD1      ILE  70  16.976  10.990  10.990
  179   3HD1  ILE  70          3HD1      ILE  70  18.420  10.216  10.216
  180    H    HIS  71           H        HIS  71  16.666  16.163  16.163
  181    HA   HIS  71           HA       HIS  71  17.380  18.108  18.108
  182   1HB   HIS  71          2HB       HIS  71  15.377  18.582  18.582
  183   2HB   HIS  71          1HB       HIS  71  16.102  18.203  18.203
  184    HD1  HIS  71           HD1      HIS  71  15.361  21.108  21.108
  185    HD2  HIS  71           HD2      HIS  71  17.991  20.043  20.043
  186    HE1  HIS  71           HE1      HIS  71  16.316  23.191  23.191
  187    H    PHE  72           H        PHE  72  18.604  17.757  17.757
  188    HA   PHE  72           HA       PHE  72  20.368  20.013  20.013
  189   1HB   PHE  72          2HB       PHE  72  19.468  18.763  18.763
  190   2HB   PHE  72          1HB       PHE  72  20.554  17.459  17.459
  191    HD1  PHE  72           HD2      PHE  72  20.663  21.183  21.183
  192    HD2  PHE  72           HD1      PHE  72  22.717  17.472  17.472
  193    HE1  PHE  72           HE2      PHE  72  22.481  22.324  22.324
  194    HE2  PHE  72           HE1      PHE  72  24.525  18.619  18.619
  195    HZ   PHE  72           HZ       PHE  72  24.411  21.047  21.047
  196    H    ARG  73           H        ARG  73  20.628  16.967  16.967
  197    HA   ARG  73           HA       ARG  73  23.577  16.989  16.989
  198   1HB   ARG  73          2HB       ARG  73  21.421  14.997  14.997
  199   2HB   ARG  73          1HB       ARG  73  23.121  14.627  14.627
  200   1HG   ARG  73          2HG       ARG  73  22.836  15.541  15.541
  201   2HG   ARG  73          1HG       ARG  73  21.147  15.389  15.389
  202   1HD   ARG  73          2HD       ARG  73  21.346  12.980  12.980
  203   2HD   ARG  73          1HD       ARG  73  23.088  13.060  13.060
  204    HE   ARG  73           HE       ARG  73  21.290  13.942  13.942
  205   1HH1  ARG  73          2HH1      ARG  73  24.291  13.092  13.092
  206   2HH1  ARG  73          1HH1      ARG  73  24.196  11.615  11.615
  207   1HH2  ARG  73          1HH2      ARG  73  20.704  11.423  11.423
  208   2HH2  ARG  73          2HH2      ARG  73  22.080  10.625  10.625
  209    H    ILE  74           H        ILE  74  20.652  17.148  17.148
  210    HA   ILE  74           HA       ILE  74  21.859  17.567  17.567
  211    HB   ILE  74           HB       ILE  74  19.115  18.132  18.132
  212   1HG1  ILE  74          2HG1      ILE  74  20.046  16.200  16.200
  213   2HG1  ILE  74          1HG1      ILE  74  19.675  15.816  15.816
  214   1HG2  ILE  74          3HG2      ILE  74  19.932  18.714  18.714
  215   2HG2  ILE  74          2HG2      ILE  74  18.294  18.873  18.873
  216   3HG2  ILE  74          1HG2      ILE  74  19.554  19.940  19.940
  217   1HD1  ILE  74          2HD1      ILE  74  17.295  16.532  16.532
  218   2HD1  ILE  74          1HD1      ILE  74  17.679  16.893  16.893
  219   3HD1  ILE  74          3HD1      ILE  74  17.770  15.247  15.247
  220    H    GLY  75           H        GLY  75  21.031  19.571  19.571
  221   1HA   GLY  75          2HA       GLY  75  21.667  22.117  22.117
  222   2HA   GLY  75          1HA       GLY  75  21.466  21.849  21.849
  223    H    CYS  76           H        CYS  76  23.334  20.645  20.645
  224    HA   CYS  76           HA       CYS  76  25.730  22.015  22.015
  225   1HB   CYS  76          2HB       CYS  76  25.340  19.170  19.170
  226   2HB   CYS  76          1HB       CYS  76  26.762  20.133  20.133
  227    HG   CYS  76           HG       CYS  76  24.161  20.255  20.255
  228    H    ARG  77           H        ARG  77  24.894  19.079  19.079
  229    HA   ARG  77           HA       ARG  77  27.608  18.859  18.859
  230   1HB   ARG  77          2HB       ARG  77  25.679  16.974  16.974
  231   2HB   ARG  77          1HB       ARG  77  25.413  17.149  17.149
  232   1HG   ARG  77          2HG       ARG  77  27.002  15.415  15.415
  233   2HG   ARG  77          1HG       ARG  77  27.999  16.812  16.812
  234   1HD   ARG  77          2HD       ARG  77  28.506  17.061  17.061
  235   2HD   ARG  77          1HD       ARG  77  27.496  15.662  15.662
  236    HE   ARG  77           HE       ARG  77  29.181  14.552  14.552
  237   1HH1  ARG  77          1HH2      ARG  77  30.848  17.037  17.037
  238   2HH1  ARG  77          2HH2      ARG  77  32.014  16.407  16.407
  239   1HH2  ARG  77          2HH1      ARG  77  30.064  13.516  13.516
  240   2HH2  ARG  77          1HH1      ARG  77  31.548  14.297  14.297
  241    H    HIS  78           H        HIS  78  24.707  20.445  20.445
  242    HA   HIS  78           HA       HIS  78  24.758  20.194  20.194
  243   1HB   HIS  78          2HB       HIS  78  23.675  22.141  22.141
  244   2HB   HIS  78          1HB       HIS  78  24.244  22.972  22.972
  245    HD1  HIS  78           HD1      HIS  78  21.333  21.415  21.415
  246    HD2  HIS  78           HD2      HIS  78  23.359  21.424  21.424
  247    HE1  HIS  78           HE1      HIS  78  19.730  20.782  20.782
  248    H    SER  79           H        SER  79  26.632  22.656  22.656
  249    HA   SER  79           HA       SER  79  28.970  22.527  22.527
  250   1HB   SER  79          2HB       SER  79  27.775  23.313  23.313
  251   2HB   SER  79          1HB       SER  79  27.129  24.696  24.696
  252    HG   SER  79           HG       SER  79  29.500  24.500  24.500
  253    H    ARG  80           H        ARG  80  30.235  24.140  24.140
  254    HA   ARG  80           HA       ARG  80  29.450  26.195  26.195
  255   1HB   ARG  80          2HB       ARG  80  30.884  23.752  23.752
  256   2HB   ARG  80          1HB       ARG  80  32.075  25.020  25.020
  257   1HG   ARG  80          2HG       ARG  80  29.454  24.942  24.942
  258   2HG   ARG  80          1HG       ARG  80  31.045  24.611  24.611
  259   1HD   ARG  80          2HD       ARG  80  31.722  26.988  26.988
  260   2HD   ARG  80          1HD       ARG  80  30.027  27.300  27.300
  261    HE   ARG  80           HE       ARG  80  31.065  26.557  26.557
  262   1HH1  ARG  80          1HH2      ARG  80  28.131  26.182  26.182
  263   2HH1  ARG  80          2HH2      ARG  80  27.380  27.531  27.531
  264   1HH2  ARG  80          2HH1      ARG  80  30.480  29.089  29.089
  265   2HH2  ARG  80          1HH1      ARG  80  28.770  29.248  29.248
  266    H    ILE  81           H        ILE  81  30.019  26.166  26.166
  267    HA   ILE  81           HA       ILE  81  31.306  27.135  27.135
  268    HB   ILE  81           HB       ILE  81  31.719  29.585  29.585
  269   1HG1  ILE  81          2HG1      ILE  81  30.716  29.094  29.094
  270   2HG1  ILE  81          1HG1      ILE  81  32.421  29.247  29.247
  271   1HG2  ILE  81          1HG2      ILE  81  29.099  28.452  28.452
  272   2HG2  ILE  81          3HG2      ILE  81  29.319  30.099  30.099
  273   3HG2  ILE  81          2HG2      ILE  81  29.478  28.773  28.773
  274   1HD1  ILE  81          3HD1      ILE  81  32.021  31.509  31.509
  275   2HD1  ILE  81          2HD1      ILE  81  30.309  31.365  31.365
  276   3HD1  ILE  81          1HD1      ILE  81  31.482  31.430  31.430
  277    H    GLY  82           H        GLY  82  33.486  29.243  29.243
  278   1HA   GLY  82          2HA       GLY  82  35.650  27.843  27.843
  279   2HA   GLY  82          1HA       GLY  82  35.747  27.690  27.690
  280   1HN   NH2  83          1HT       GLY  82  37.682  29.201  29.201
  281   2HN   NH2  83          2HT       GLY  82  37.401  30.876  30.876

  Start of MODEL    9
    1   1H    ACE  50          1HA       ACE  50   2.484  -5.741  -5.741
    2   2H    ACE  50          2HA       ACE  50   1.407  -4.528  -4.528
    3   3H    ACE  50          3HA       ACE  50   0.749  -6.053  -6.053
    4    H    TYR  50           H        TYR  50  -0.572  -5.142  -5.142
    5    HA   TYR  50           HA       TYR  50  -1.200  -4.232  -4.232
    6   1HB   TYR  50          2HB       TYR  50   1.036  -5.817  -5.817
    7   2HB   TYR  50          1HB       TYR  50   1.589  -4.280  -4.280
    8    HD1  TYR  50           HD1      TYR  50  -0.358  -3.000  -3.000
    9    HD2  TYR  50           HD2      TYR  50  -0.041  -7.208  -7.208
   10    HE1  TYR  50           HE1      TYR  50  -1.637  -3.417  -3.417
   11    HE2  TYR  50           HE2      TYR  50  -1.321  -7.605  -7.605
   12    HH   TYR  50           HH       TYR  50  -1.833  -5.340  -5.340
   13    H    GLY  51           H        GLY  51   0.069  -2.607  -2.607
   14   1HA   GLY  51          2HA       GLY  51   0.642  -0.125  -0.125
   15   2HA   GLY  51          1HA       GLY  51   1.445  -0.506  -0.506
   16    H    ASP  52           H        ASP  52  -0.580   1.628   1.628
   17    HA   ASP  52           HA       ASP  52  -2.373   1.312   1.312
   18   1HB   ASP  52          2HB       ASP  52  -3.555   0.736   0.736
   19   2HB   ASP  52          1HB       ASP  52  -3.253   2.368   2.368
   20    H    THR  53           H        THR  53  -2.781   4.103   4.103
   21    HA   THR  53           HA       THR  53  -2.103   5.913   5.913
   22    HB   THR  53           HB       THR  53  -2.042   7.540   7.540
   23    HG1  THR  53           HG1      THR  53  -2.994   6.185   6.185
   24   1HG2  THR  53          2HG2      THR  53  -4.206   7.015   7.015
   25   2HG2  THR  53          1HG2      THR  53  -4.480   5.666   5.666
   26   3HG2  THR  53          3HG2      THR  53  -4.483   7.302   7.302
   27    H    TRP  54           H        TRP  54  -0.346   4.959   4.959
   28    HA   TRP  54           HA       TRP  54   1.951   6.549   6.549
   29   1HB   TRP  54          2HB       TRP  54   1.281   3.997   3.997
   30   2HB   TRP  54          1HB       TRP  54   2.918   3.898   3.898
   31    HD1  TRP  54           HD1      TRP  54   1.777   4.232   4.232
   32    HE1  TRP  54           HE1      TRP  54   2.926   5.894   5.894
   33    HE3  TRP  54           HE3      TRP  54   3.972   7.074   7.074
   34    HZ2  TRP  54           HZ2      TRP  54   4.523   8.072   8.072
   35    HZ3  TRP  54           HZ3      TRP  54   5.350   9.002   9.002
   36    HH2  TRP  54           HH2      TRP  54   5.622   9.494   9.494
   37    H    ALA  55           H        ALA  55   1.761   3.295   3.295
   38    HA   ALA  55           HA       ALA  55   4.136   3.483   3.483
   39   1HB   ALA  55          1HB       ALA  55   3.133   1.318   1.318
   40   2HB   ALA  55          3HB       ALA  55   1.727   1.665   1.665
   41   3HB   ALA  55          2HB       ALA  55   3.309   1.436   1.436
   42    H    GLY  56           H        GLY  56   0.730   3.949   3.949
   43   1HA   GLY  56          2HA       GLY  56   0.734   4.269   4.269
   44   2HA   GLY  56          1HA       GLY  56  -0.369   5.126   5.126
   45    H    VAL  57           H        VAL  57   1.605   6.535   6.535
   46    HA   VAL  57           HA       VAL  57   2.235   8.607   8.607
   47    HB   VAL  57           HB       VAL  57   2.350   8.692   8.692
   48   1HG1  VAL  57          1HG1      VAL  57   2.572  10.964  10.964
   49   2HG1  VAL  57          3HG1      VAL  57   2.533  11.162  11.162
   50   3HG1  VAL  57          2HG1      VAL  57   3.889  10.357  10.357
   51   1HG2  VAL  57          2HG2      VAL  57   0.033   8.423   8.423
   52   2HG2  VAL  57          1HG2      VAL  57   0.241  10.009  10.009
   53   3HG2  VAL  57          3HG2      VAL  57   0.288   9.815   9.815
   54    H    GLU  58           H        GLU  58   3.912   6.661   6.661
   55    HA   GLU  58           HA       GLU  58   6.428   7.957   7.957
   56   1HB   GLU  58          2HB       GLU  58   5.592   5.155   5.155
   57   2HB   GLU  58          1HB       GLU  58   7.302   5.497   5.497
   58   1HG   GLU  58          2HG       GLU  58   7.096   7.380   7.380
   59   2HG   GLU  58          1HG       GLU  58   5.385   7.052   7.052
   60    H    ALA  59           H        ALA  59   4.569   5.682   5.682
   61    HA   ALA  59           HA       ALA  59   6.678   4.966   4.966
   62   1HB   ALA  59          2HB       ALA  59   4.817   3.443   3.443
   63   2HB   ALA  59          1HB       ALA  59   3.677   4.615   4.615
   64   3HB   ALA  59          3HB       ALA  59   4.856   3.843   3.843
   65    H    ILE  60           H        ILE  60   4.149   7.424   7.424
   66    HA   ILE  60           HA       ILE  60   4.697   8.032   8.032
   67    HB   ILE  60           HB       ILE  60   3.039   9.873   9.873
   68   1HG1  ILE  60          2HG1      ILE  60   1.923   8.815   8.815
   69   2HG1  ILE  60          1HG1      ILE  60   3.439   9.670   9.670
   70   1HG2  ILE  60          1HG2      ILE  60   2.332   7.635   7.635
   71   2HG2  ILE  60          3HG2      ILE  60   2.082   7.085   7.085
   72   3HG2  ILE  60          2HG2      ILE  60   1.054   8.339   8.339
   73   1HD1  ILE  60          2HD1      ILE  60   1.012  10.778  10.778
   74   2HD1  ILE  60          1HD1      ILE  60   1.574  11.242  11.242
   75   3HD1  ILE  60          3HD1      ILE  60   2.551  11.623  11.623
   76    H    ILE  61           H        ILE  61   5.493   9.119   9.119
   77    HA   ILE  61           HA       ILE  61   6.631  11.549  11.549
   78    HB   ILE  61           HB       ILE  61   5.640  10.560  10.560
   79   1HG1  ILE  61          2HG1      ILE  61   6.759  13.153  13.153
   80   2HG1  ILE  61          1HG1      ILE  61   5.087  12.678  12.678
   81   1HG2  ILE  61          2HG2      ILE  61   7.940   9.858   9.858
   82   2HG2  ILE  61          1HG2      ILE  61   8.516  11.493  11.493
   83   3HG2  ILE  61          3HG2      ILE  61   7.383  11.161  11.161
   84   1HD1  ILE  61          1HD1      ILE  61   4.976  12.556  12.556
   85   2HD1  ILE  61          3HD1      ILE  61   6.632  13.147  13.147
   86   3HD1  ILE  61          2HD1      ILE  61   5.362  14.167  14.167
   87    H    ARG  62           H        ARG  62   7.669   8.331   8.331
   88    HA   ARG  62           HA       ARG  62  10.434   8.843   8.843
   89   1HB   ARG  62          2HB       ARG  62   9.729   6.635   6.635
   90   2HB   ARG  62          1HB       ARG  62   8.883   6.446   6.446
   91   1HG   ARG  62          2HG       ARG  62  10.930   6.162   6.162
   92   2HG   ARG  62          1HG       ARG  62  11.902   6.777   6.777
   93   1HD   ARG  62          2HD       ARG  62  10.247   4.221   4.221
   94   2HD   ARG  62          1HD       ARG  62  11.931   4.229   4.229
   95    HE   ARG  62           HE       ARG  62  11.038   4.383   4.383
   96   1HH1  ARG  62          2HH1      ARG  62  13.715   4.632   4.632
   97   2HH1  ARG  62          1HH1      ARG  62  14.662   5.611   5.611
   98   1HH2  ARG  62          1HH2      ARG  62  11.941   6.257   6.257
   99   2HH2  ARG  62          2HH2      ARG  62  13.615   6.573   6.573
  100    H    ILE  63           H        ILE  63   8.911   7.772   7.772
  101    HA   ILE  63           HA       ILE  63  11.203   8.129   8.129
  102    HB   ILE  63           HB       ILE  63   9.426   8.127   8.127
  103   1HG1  ILE  63          2HG1      ILE  63   7.223   7.130   7.130
  104   2HG1  ILE  63          1HG1      ILE  63   7.543   7.391   7.391
  105   1HG2  ILE  63          2HG2      ILE  63   9.599   5.857   5.857
  106   2HG2  ILE  63          1HG2      ILE  63   9.073   5.679   5.679
  107   3HG2  ILE  63          3HG2      ILE  63  10.722   6.159   6.159
  108   1HD1  ILE  63          3HD1      ILE  63   7.294   9.607   9.607
  109   2HD1  ILE  63          2HD1      ILE  63   6.056   9.107   9.107
  110   3HD1  ILE  63          1HD1      ILE  63   7.503   9.824   9.824
  111    H    LEU  64           H        LEU  64   8.784  10.427  10.427
  112    HA   LEU  64           HA       LEU  64   9.505  12.458  12.458
  113   1HB   LEU  64          2HB       LEU  64   7.212  12.107  12.107
  114   2HB   LEU  64          1HB       LEU  64   7.936  12.290  12.290
  115    HG   LEU  64           HG       LEU  64   8.539  14.512  14.512
  116   1HD1  LEU  64          3HD1      LEU  64   7.107  14.122  14.122
  117   2HD1  LEU  64          2HD1      LEU  64   7.622  15.688  15.688
  118   3HD1  LEU  64          1HD1      LEU  64   8.816  14.473  14.473
  119   1HD2  LEU  64          2HD2      LEU  64   5.587  13.903  13.903
  120   2HD2  LEU  64          1HD2      LEU  64   6.320  14.074  14.074
  121   3HD2  LEU  64          3HD2      LEU  64   6.175  15.472  15.472
  122    H    GLN  65           H        GLN  65  10.480  11.458  11.458
  123    HA   GLN  65           HA       GLN  65  12.057  13.951  13.951
  124   1HB   GLN  65          2HB       GLN  65  11.568  11.414  11.414
  125   2HB   GLN  65          1HB       GLN  65  13.083  12.229  12.229
  126   1HG   GLN  65          2HG       GLN  65  11.345  13.052  13.052
  127   2HG   GLN  65          1HG       GLN  65  11.890  14.346  14.346
  128   1HE2  GLN  65          2HE2      GLN  65   8.602  14.242  14.242
  129   2HE2  GLN  65          1HE2      GLN  65  10.220  14.210  14.210
  130    H    GLN  66           H        GLN  66  12.565  10.593  10.593
  131    HA   GLN  66           HA       GLN  66  15.313  10.565  10.565
  132   1HB   GLN  66          2HB       GLN  66  13.031   9.193   9.193
  133   2HB   GLN  66          1HB       GLN  66  14.687   8.776   8.776
  134   1HG   GLN  66          2HG       GLN  66  15.040   7.979   7.979
  135   2HG   GLN  66          1HG       GLN  66  13.417   8.467   8.467
  136   1HE2  GLN  66          2HE2      GLN  66  12.836   5.811   5.811
  137   2HE2  GLN  66          1HE2      GLN  66  13.284   7.413   7.413
  138    H    LEU  67           H        LEU  67  12.823  11.268  11.268
  139    HA   LEU  67           HA       LEU  67  14.801  11.953  11.953
  140   1HB   LEU  67          2HB       LEU  67  12.821  12.307  12.307
  141   2HB   LEU  67          1HB       LEU  67  12.485  10.949  10.949
  142    HG   LEU  67           HG       LEU  67  11.332  12.664  12.664
  143   1HD1  LEU  67          3HD1      LEU  67  11.203  14.190  14.190
  144   2HD1  LEU  67          2HD1      LEU  67  10.285  14.580  14.580
  145   3HD1  LEU  67          1HD1      LEU  67  12.019  14.761  14.761
  146   1HD2  LEU  67          2HD2      LEU  67  10.087  11.899  11.899
  147   2HD2  LEU  67          1HD2      LEU  67  10.116  10.881  10.881
  148   3HD2  LEU  67          3HD2      LEU  67   9.177  12.358  12.358
  149    H    LEU  68           H        LEU  68  13.052  13.754  13.754
  150    HA   LEU  68           HA       LEU  68  13.652  16.301  16.301
  151   1HB   LEU  68          2HB       LEU  68  11.804  16.063  16.063
  152   2HB   LEU  68          1HB       LEU  68  12.885  15.329  15.329
  153    HG   LEU  68           HG       LEU  68  14.123  17.310  17.310
  154   1HD1  LEU  68          2HD1      LEU  68  12.057  18.606  18.606
  155   2HD1  LEU  68          1HD1      LEU  68  13.255  19.519  19.519
  156   3HD1  LEU  68          3HD1      LEU  68  13.771  18.407  18.407
  157   1HD2  LEU  68          2HD2      LEU  68  11.114  17.744  17.744
  158   2HD2  LEU  68          1HD2      LEU  68  12.216  16.997  16.997
  159   3HD2  LEU  68          3HD2      LEU  68  12.355  18.708  18.708
  160    H    PHE  69           H        PHE  69  15.267  13.813  13.813
  161    HA   PHE  69           HA       PHE  69  17.416  15.485  15.485
  162   1HB   PHE  69          2HB       PHE  69  17.457  12.497  12.497
  163   2HB   PHE  69          1HB       PHE  69  18.700  13.311  13.311
  164    HD1  PHE  69           HD1      PHE  69  16.174  14.913  14.913
  165    HD2  PHE  69           HD2      PHE  69  17.525  10.898  10.898
  166    HE1  PHE  69           HE1      PHE  69  15.084  14.266  14.266
  167    HE2  PHE  69           HE2      PHE  69  16.427  10.262  10.262
  168    HZ   PHE  69           HZ       PHE  69  15.203  11.939  11.939
  169    H    ILE  70           H        ILE  70  16.979  13.403  13.403
  170    HA   ILE  70           HA       ILE  70  19.426  13.680  13.680
  171    HB   ILE  70           HB       ILE  70  16.562  13.237  13.237
  172   1HG1  ILE  70          2HG1      ILE  70  17.519  11.264  11.264
  173   2HG1  ILE  70          1HG1      ILE  70  19.141  11.831  11.831
  174   1HG2  ILE  70          3HG2      ILE  70  18.600  13.979  13.979
  175   2HG2  ILE  70          2HG2      ILE  70  17.022  13.278  13.278
  176   3HG2  ILE  70          1HG2      ILE  70  17.140  14.877  14.877
  177   1HD1  ILE  70          3HD1      ILE  70  18.679  11.608  11.608
  178   2HD1  ILE  70          2HD1      ILE  70  17.067  11.028  11.028
  179   3HD1  ILE  70          1HD1      ILE  70  18.472  10.091  10.091
  180    H    HIS  71           H        HIS  71  16.799  16.016  16.016
  181    HA   HIS  71           HA       HIS  71  17.834  17.877  17.877
  182   1HB   HIS  71          2HB       HIS  71  15.687  18.474  18.474
  183   2HB   HIS  71          1HB       HIS  71  16.002  18.041  18.041
  184    HD1  HIS  71           HD1      HIS  71  15.840  21.009  21.009
  185    HD2  HIS  71           HD2      HIS  71  17.708  19.797  19.797
  186    HE1  HIS  71           HE1      HIS  71  16.604  23.036  23.036
  187    H    PHE  72           H        PHE  72  18.491  17.659  17.659
  188    HA   PHE  72           HA       PHE  72  20.236  19.911  19.911
  189   1HB   PHE  72          2HB       PHE  72  19.142  18.739  18.739
  190   2HB   PHE  72          1HB       PHE  72  20.142  17.339  17.339
  191    HD1  PHE  72           HD2      PHE  72  20.286  20.920  20.920
  192    HD2  PHE  72           HD1      PHE  72  22.422  17.236  17.236
  193    HE1  PHE  72           HE2      PHE  72  22.084  21.874  21.874
  194    HE2  PHE  72           HE1      PHE  72  24.207  18.197  18.197
  195    HZ   PHE  72           HZ       PHE  72  24.039  20.513  20.513
  196    H    ARG  73           H        ARG  73  20.708  16.755  16.755
  197    HA   ARG  73           HA       ARG  73  23.624  16.802  16.802
  198   1HB   ARG  73          2HB       ARG  73  21.616  14.848  14.848
  199   2HB   ARG  73          1HB       ARG  73  23.281  14.470  14.470
  200   1HG   ARG  73          2HG       ARG  73  22.650  15.466  15.466
  201   2HG   ARG  73          1HG       ARG  73  21.041  15.196  15.196
  202   1HD   ARG  73          2HD       ARG  73  21.197  12.855  12.855
  203   2HD   ARG  73          1HD       ARG  73  22.947  12.870  12.870
  204    HE   ARG  73           HE       ARG  73  23.207  13.369  13.369
  205   1HH1  ARG  73          2HH1      ARG  73  21.216  14.823  14.823
  206   2HH1  ARG  73          1HH1      ARG  73  20.091  13.712  13.712
  207   1HH2  ARG  73          1HH2      ARG  73  21.257  11.039  11.039
  208   2HH2  ARG  73          2HH2      ARG  73  20.105  11.503  11.503
  209    H    ILE  74           H        ILE  74  21.095  16.975  16.975
  210    HA   ILE  74           HA       ILE  74  22.594  17.329  17.329
  211    HB   ILE  74           HB       ILE  74  19.794  17.877  17.877
  212   1HG1  ILE  74          2HG1      ILE  74  20.879  16.302  16.302
  213   2HG1  ILE  74          1HG1      ILE  74  20.455  15.668  15.668
  214   1HG2  ILE  74          2HG2      ILE  74  20.208  19.920  19.920
  215   2HG2  ILE  74          1HG2      ILE  74  20.703  18.946  18.946
  216   3HG2  ILE  74          3HG2      ILE  74  19.040  18.892  18.892
  217   1HD1  ILE  74          1HD1      ILE  74  18.074  16.373  16.373
  218   2HD1  ILE  74          3HD1      ILE  74  18.494  16.962  16.962
  219   3HD1  ILE  74          2HD1      ILE  74  18.630  15.258  15.258
  220    H    GLY  75           H        GLY  75  21.234  19.828  19.828
  221   1HA   GLY  75          2HA       GLY  75  22.276  22.087  22.087
  222   2HA   GLY  75          1HA       GLY  75  21.892  22.063  22.063
  223    H    CYS  76           H        CYS  76  23.655  20.558  20.558
  224    HA   CYS  76           HA       CYS  76  26.045  22.098  22.098
  225   1HB   CYS  76          2HB       CYS  76  25.325  20.616  20.616
  226   2HB   CYS  76          1HB       CYS  76  25.597  19.210  19.210
  227    HG   CYS  76           HG       CYS  76  27.756  20.784  20.784
  228    H    ARG  77           H        ARG  77  25.451  18.949  18.949
  229    HA   ARG  77           HA       ARG  77  28.004  18.584  18.584
  230   1HB   ARG  77          2HB       ARG  77  26.147  16.945  16.945
  231   2HB   ARG  77          1HB       ARG  77  25.318  17.528  17.528
  232   1HG   ARG  77          2HG       ARG  77  27.148  16.721  16.721
  233   2HG   ARG  77          1HG       ARG  77  28.101  16.311  16.311
  234   1HD   ARG  77          2HD       ARG  77  26.028  14.878  14.878
  235   2HD   ARG  77          1HD       ARG  77  25.481  15.049  15.049
  236    HE   ARG  77           HE       ARG  77  27.313  13.678  13.678
  237   1HH1  ARG  77          1HH2      ARG  77  29.732  13.983  13.983
  238   2HH1  ARG  77          2HH2      ARG  77  29.995  13.142  13.142
  239   1HH2  ARG  77          2HH1      ARG  77  26.541  12.920  12.920
  240   2HH2  ARG  77          1HH1      ARG  77  28.102  12.518  12.518
  241    H    HIS  78           H        HIS  78  25.233  20.410  20.410
  242    HA   HIS  78           HA       HIS  78  26.006  20.707  20.707
  243   1HB   HIS  78          2HB       HIS  78  23.670  21.178  21.178
  244   2HB   HIS  78          1HB       HIS  78  24.261  22.535  22.535
  245    HD1  HIS  78           HD1      HIS  78  24.482  24.743  24.743
  246    HD2  HIS  78           HD2      HIS  78  24.096  21.413  21.413
  247    HE1  HIS  78           HE1      HIS  78  24.211  25.504  25.504
  248    H    SER  79           H        SER  79  26.908  22.199  22.199
  249    HA   SER  79           HA       SER  79  28.778  23.546  23.546
  250   1HB   SER  79          2HB       SER  79  29.704  22.695  22.695
  251   2HB   SER  79          1HB       SER  79  29.115  24.245  24.245
  252    HG   SER  79           HG       SER  79  31.341  23.858  23.858
  253    H    ARG  80           H        ARG  80  26.852  24.696  24.696
  254    HA   ARG  80           HA       ARG  80  26.258  27.209  27.209
  255   1HB   ARG  80          2HB       ARG  80  24.661  25.712  25.712
  256   2HB   ARG  80          1HB       ARG  80  24.186  27.268  27.268
  257   1HG   ARG  80          2HG       ARG  80  24.151  26.281  26.281
  258   2HG   ARG  80          1HG       ARG  80  24.636  24.727  24.727
  259   1HD   ARG  80          2HD       ARG  80  22.573  24.553  24.553
  260   2HD   ARG  80          1HD       ARG  80  22.100  26.186  26.186
  261    HE   ARG  80           HE       ARG  80  22.415  24.004  24.004
  262   1HH1  ARG  80          2HH1      ARG  80  21.755  25.985  25.985
  263   2HH1  ARG  80          1HH1      ARG  80  20.067  26.332  26.332
  264   1HH2  ARG  80          1HH2      ARG  80  19.852  24.667  24.667
  265   2HH2  ARG  80          2HH2      ARG  80  18.945  25.550  25.550
  266    H    ILE  81           H        ILE  81  28.333  28.010  28.010
  267    HA   ILE  81           HA       ILE  81  27.992  29.366  29.366
  268    HB   ILE  81           HB       ILE  81  30.450  28.920  28.920
  269   1HG1  ILE  81          2HG1      ILE  81  30.258  26.870  26.870
  270   2HG1  ILE  81          1HG1      ILE  81  31.070  28.406  28.406
  271   1HG2  ILE  81          3HG2      ILE  81  28.655  27.537  27.537
  272   2HG2  ILE  81          2HG2      ILE  81  28.716  26.416  26.416
  273   3HG2  ILE  81          1HG2      ILE  81  30.090  26.571  26.571
  274   1HD1  ILE  81          2HD1      ILE  81  31.828  26.243  26.243
  275   2HD1  ILE  81          1HD1      ILE  81  32.685  26.624  26.624
  276   3HD1  ILE  81          3HD1      ILE  81  32.629  27.797  27.797
  277    H    GLY  82           H        GLY  82  29.625  31.165  31.165
  278   1HA   GLY  82          2HA       GLY  82  30.967  32.229  32.229
  279   2HA   GLY  82          1HA       GLY  82  29.395  33.000  33.000
  280   1HN   NH2  83          1HT       GLY  82  32.497  32.457  32.457
  281   2HN   NH2  83          2HT       GLY  82  32.298  33.810  33.810

  Start of MODEL   10
    1   1H    ACE  50          1HA       ACE  50  -4.819  -4.312  -4.312
    2   2H    ACE  50          2HA       ACE  50  -3.911  -4.846  -4.846
    3   3H    ACE  50          3HA       ACE  50  -5.669  -4.990  -4.990
    4    H    TYR  50           H        TYR  50  -6.574  -2.644  -2.644
    5    HA   TYR  50           HA       TYR  50  -6.058  -0.934  -0.934
    6   1HB   TYR  50          2HB       TYR  50  -7.810  -0.566  -0.566
    7   2HB   TYR  50          1HB       TYR  50  -7.755   0.573   0.573
    8    HD1  TYR  50           HD2      TYR  50  -8.658  -0.004  -0.004
    9    HD2  TYR  50           HD1      TYR  50  -8.841  -2.830  -2.830
   10    HE1  TYR  50           HE2      TYR  50 -10.263  -1.337  -1.337
   11    HE2  TYR  50           HE1      TYR  50 -10.447  -4.158  -4.158
   12    HH   TYR  50           HH       TYR  50 -11.078  -3.643  -3.643
   13    H    GLY  51           H        GLY  51  -3.642  -1.090  -1.090
   14   1HA   GLY  51          2HA       GLY  51  -3.096   1.065   1.065
   15   2HA   GLY  51          1HA       GLY  51  -1.885   0.142   0.142
   16    H    ASP  52           H        ASP  52  -4.330   2.649   2.649
   17    HA   ASP  52           HA       ASP  52  -3.161   3.538   3.538
   18   1HB   ASP  52          2HB       ASP  52  -5.075   5.107   5.107
   19   2HB   ASP  52          1HB       ASP  52  -5.604   3.468   3.468
   20    H    THR  53           H        THR  53  -4.087   5.692   5.692
   21    HA   THR  53           HA       THR  53  -2.506   7.775   7.775
   22    HB   THR  53           HB       THR  53  -3.172   7.001   7.001
   23    HG1  THR  53           HG1      THR  53  -5.064   8.319   8.319
   24   1HG2  THR  53          2HG2      THR  53  -3.345   9.668   9.668
   25   2HG2  THR  53          1HG2      THR  53  -3.658   9.425   9.425
   26   3HG2  THR  53          3HG2      THR  53  -2.030   9.277   9.277
   27    H    TRP  54           H        TRP  54  -1.479   5.512   5.512
   28    HA   TRP  54           HA       TRP  54   1.071   6.777   6.777
   29   1HB   TRP  54          2HB       TRP  54  -0.083   4.178   4.178
   30   2HB   TRP  54          1HB       TRP  54   1.663   4.375   4.375
   31    HD1  TRP  54           HD1      TRP  54  -1.196   5.113   5.113
   32    HE1  TRP  54           HE1      TRP  54  -0.705   6.924   6.924
   33    HE3  TRP  54           HE3      TRP  54   3.033   6.891   6.891
   34    HZ2  TRP  54           HZ2      TRP  54   1.205   8.838   8.838
   35    HZ3  TRP  54           HZ3      TRP  54   4.207   8.773   8.773
   36    HH2  TRP  54           HH2      TRP  54   3.287   9.742   9.742
   37    H    ALA  55           H        ALA  55   0.372   3.605   3.605
   38    HA   ALA  55           HA       ALA  55   2.994   3.227   3.227
   39   1HB   ALA  55          2HB       ALA  55   1.340   1.395   1.395
   40   2HB   ALA  55          1HB       ALA  55   0.372   2.154   2.154
   41   3HB   ALA  55          3HB       ALA  55   1.965   1.521   1.521
   42    H    GLY  56           H        GLY  56   0.066   4.643   4.643
   43   1HA   GLY  56          2HA       GLY  56   1.044   5.000   5.000
   44   2HA   GLY  56          1HA       GLY  56  -0.230   5.968   5.968
   45    H    VAL  57           H        VAL  57   1.241   7.032   7.032
   46    HA   VAL  57           HA       VAL  57   2.700   9.147   9.147
   47    HB   VAL  57           HB       VAL  57   1.982   8.715   8.715
   48   1HG1  VAL  57          1HG1      VAL  57   3.175  11.188  11.188
   49   2HG1  VAL  57          3HG1      VAL  57   2.644  11.068  11.068
   50   3HG1  VAL  57          2HG1      VAL  57   4.019  10.138  10.138
   51   1HG2  VAL  57          2HG2      VAL  57   0.079   9.158   9.158
   52   2HG2  VAL  57          1HG2      VAL  57   0.297  10.496  10.496
   53   3HG2  VAL  57          3HG2      VAL  57   0.887  10.607  10.607
   54    H    GLU  58           H        GLU  58   3.463   6.554   6.554
   55    HA   GLU  58           HA       GLU  58   6.237   7.342   7.342
   56   1HB   GLU  58          2HB       GLU  58   4.614   4.781   4.781
   57   2HB   GLU  58          1HB       GLU  58   6.332   4.788   4.788
   58   1HG   GLU  58          2HG       GLU  58   4.358   6.775   6.775
   59   2HG   GLU  58          1HG       GLU  58   4.797   5.265   5.265
   60    H    ALA  59           H        ALA  59   4.362   5.815   5.815
   61    HA   ALA  59           HA       ALA  59   6.603   4.586   4.586
   62   1HB   ALA  59          1HB       ALA  59   3.701   5.027   5.027
   63   2HB   ALA  59          3HB       ALA  59   4.869   4.050   4.050
   64   3HB   ALA  59          2HB       ALA  59   4.343   3.565   3.565
   65    H    ILE  60           H        ILE  60   4.611   7.477   7.477
   66    HA   ILE  60           HA       ILE  60   5.912   8.248   8.248
   67    HB   ILE  60           HB       ILE  60   4.753  10.518  10.518
   68   1HG1  ILE  60          2HG1      ILE  60   3.039   9.337   9.337
   69   2HG1  ILE  60          1HG1      ILE  60   4.580   9.930   9.930
   70   1HG2  ILE  60          1HG2      ILE  60   2.980   8.037   8.037
   71   2HG2  ILE  60          3HG2      ILE  60   2.467   9.632   9.632
   72   3HG2  ILE  60          2HG2      ILE  60   3.687   8.764   8.764
   73   1HD1  ILE  60          2HD1      ILE  60   4.120  12.131  12.131
   74   2HD1  ILE  60          1HD1      ILE  60   2.530  11.538  11.538
   75   3HD1  ILE  60          3HD1      ILE  60   2.952  11.728  11.728
   76    H    ILE  61           H        ILE  61   6.150   8.789   8.789
   77    HA   ILE  61           HA       ILE  61   7.921  10.924  10.924
   78    HB   ILE  61           HB       ILE  61   7.133   8.771   8.771
   79   1HG1  ILE  61          2HG1      ILE  61   7.707  11.726  11.726
   80   2HG1  ILE  61          1HG1      ILE  61   6.151  11.061  11.061
   81   1HG2  ILE  61          3HG2      ILE  61   9.820   9.952   9.952
   82   2HG2  ILE  61          2HG2      ILE  61   8.814   9.035   9.035
   83   3HG2  ILE  61          1HG2      ILE  61   9.414   8.266   8.266
   84   1HD1  ILE  61          2HD1      ILE  61   6.068   9.762   9.762
   85   2HD1  ILE  61          1HD1      ILE  61   7.594  10.466  10.466
   86   3HD1  ILE  61          3HD1      ILE  61   6.192  11.489  11.489
   87    H    ARG  62           H        ARG  62   8.377   7.640   7.640
   88    HA   ARG  62           HA       ARG  62  11.255   7.519   7.519
   89   1HB   ARG  62          2HB       ARG  62   9.692   5.515   5.515
   90   2HB   ARG  62          1HB       ARG  62   9.498   5.890   5.890
   91   1HG   ARG  62          2HG       ARG  62  11.861   5.529   5.529
   92   2HG   ARG  62          1HG       ARG  62  12.206   5.302   5.302
   93   1HD   ARG  62          2HD       ARG  62  10.442   3.512   3.512
   94   2HD   ARG  62          1HD       ARG  62  12.072   3.132   3.132
   95    HE   ARG  62           HE       ARG  62   9.663   3.289   3.289
   96   1HH1  ARG  62          2HH1      ARG  62  12.270   1.398   1.398
   97   2HH1  ARG  62          1HH1      ARG  62  12.752   1.000   1.000
   98   1HH2  ARG  62          1HH2      ARG  62  10.552   3.299   3.299
   99   2HH2  ARG  62          2HH2      ARG  62  11.744   2.087   2.087
  100    H    ILE  63           H        ILE  63   9.391   7.986   7.986
  101    HA   ILE  63           HA       ILE  63  11.846   8.610   8.610
  102    HB   ILE  63           HB       ILE  63  10.076   9.129   9.129
  103   1HG1  ILE  63          2HG1      ILE  63   7.927   7.858   7.858
  104   2HG1  ILE  63          1HG1      ILE  63   8.205   7.684   7.684
  105   1HG2  ILE  63          1HG2      ILE  63  11.478   7.103   7.103
  106   2HG2  ILE  63          3HG2      ILE  63  10.342   6.351   6.351
  107   3HG2  ILE  63          2HG2      ILE  63   9.870   6.681   6.681
  108   1HD1  ILE  63          3HD1      ILE  63   7.817  10.302  10.302
  109   2HD1  ILE  63          2HD1      ILE  63   6.655   9.515   9.515
  110   3HD1  ILE  63          1HD1      ILE  63   8.109  10.191  10.191
  111    H    LEU  64           H        LEU  64   9.356  10.432  10.432
  112    HA   LEU  64           HA       LEU  64  10.032  12.914  12.914
  113   1HB   LEU  64          2HB       LEU  64   7.789  12.371  12.371
  114   2HB   LEU  64          1HB       LEU  64   8.558  11.975  11.975
  115    HG   LEU  64           HG       LEU  64   9.228  14.203  14.203
  116   1HD1  LEU  64          2HD1      LEU  64   7.762  14.794  14.794
  117   2HD1  LEU  64          1HD1      LEU  64   8.376  16.028  16.028
  118   3HD1  LEU  64          3HD1      LEU  64   9.491  14.959  14.959
  119   1HD2  LEU  64          3HD2      LEU  64   6.966  13.479  13.479
  120   2HD2  LEU  64          2HD2      LEU  64   6.895  15.162  15.162
  121   3HD2  LEU  64          1HD2      LEU  64   6.262  13.927  13.927
  122    H    GLN  65           H        GLN  65  11.252  11.044  11.044
  123    HA   GLN  65           HA       GLN  65  12.828  13.380  13.380
  124   1HB   GLN  65          2HB       GLN  65  12.447  10.540  10.540
  125   2HB   GLN  65          1HB       GLN  65  13.982  11.273  11.273
  126   1HG   GLN  65          2HG       GLN  65  12.594  11.760  11.760
  127   2HG   GLN  65          1HG       GLN  65  12.775  13.258  13.258
  128   1HE2  GLN  65          2HE2      GLN  65   9.205  12.910  12.910
  129   2HE2  GLN  65          1HE2      GLN  65  10.662  12.948  12.948
  130    H    GLN  66           H        GLN  66  13.387  10.190  10.190
  131    HA   GLN  66           HA       GLN  66  16.134  10.591  10.591
  132   1HB   GLN  66          2HB       GLN  66  13.938   9.004   9.004
  133   2HB   GLN  66          1HB       GLN  66  15.563   8.907   8.907
  134   1HG   GLN  66          2HG       GLN  66  16.417   8.364   8.364
  135   2HG   GLN  66          1HG       GLN  66  14.754   8.375   8.375
  136   1HE2  GLN  66          2HE2      GLN  66  13.941   5.334   5.334
  137   2HE2  GLN  66          1HE2      GLN  66  13.275   6.832   6.832
  138    H    LEU  67           H        LEU  67  13.481  11.461  11.461
  139    HA   LEU  67           HA       LEU  67  15.202  12.526  12.526
  140   1HB   LEU  67          2HB       LEU  67  12.248  13.048  13.048
  141   2HB   LEU  67          1HB       LEU  67  13.053  13.444  13.444
  142    HG   LEU  67           HG       LEU  67  12.957  10.604  10.604
  143   1HD1  LEU  67          2HD1      LEU  67  10.669  11.419  11.419
  144   2HD1  LEU  67          1HD1      LEU  67  11.252  11.864  11.864
  145   3HD1  LEU  67          3HD1      LEU  67  11.193  10.174  10.174
  146   1HD2  LEU  67          3HD2      LEU  67  13.706  11.616  11.616
  147   2HD2  LEU  67          2HD2      LEU  67  14.835  10.992  10.992
  148   3HD2  LEU  67          1HD2      LEU  67  13.633   9.930   9.930
  149    H    LEU  68           H        LEU  68  13.686  13.821  13.821
  150    HA   LEU  68           HA       LEU  68  14.277  16.552  16.552
  151   1HB   LEU  68          2HB       LEU  68  12.654  16.069  16.069
  152   2HB   LEU  68          1HB       LEU  68  13.767  14.988  14.988
  153    HG   LEU  68           HG       LEU  68  15.239  16.782  16.782
  154   1HD1  LEU  68          2HD1      LEU  68  13.084  18.623  18.623
  155   2HD1  LEU  68          1HD1      LEU  68  14.472  19.213  19.213
  156   3HD1  LEU  68          3HD1      LEU  68  14.712  18.401  18.401
  157   1HD2  LEU  68          1HD2      LEU  68  12.390  17.287  17.287
  158   2HD2  LEU  68          3HD2      LEU  68  13.566  16.216  16.216
  159   3HD2  LEU  68          2HD2      LEU  68  13.816  17.950  17.950
  160    H    PHE  69           H        PHE  69  16.110  13.739  13.739
  161    HA   PHE  69           HA       PHE  69  18.437  15.343  15.343
  162   1HB   PHE  69          2HB       PHE  69  18.246  12.338  12.338
  163   2HB   PHE  69          1HB       PHE  69  19.532  13.084  13.084
  164    HD1  PHE  69           HD1      PHE  69  17.108  14.772  14.772
  165    HD2  PHE  69           HD2      PHE  69  18.193  10.696  10.696
  166    HE1  PHE  69           HE1      PHE  69  15.935  14.132  14.132
  167    HE2  PHE  69           HE2      PHE  69  17.011  10.058  10.058
  168    HZ   PHE  69           HZ       PHE  69  15.879  11.774  11.774
  169    H    ILE  70           H        ILE  70  17.385  13.370  13.370
  170    HA   ILE  70           HA       ILE  70  19.762  13.730  13.730
  171    HB   ILE  70           HB       ILE  70  16.931  13.460  13.460
  172   1HG1  ILE  70          2HG1      ILE  70  16.952  11.571  11.571
  173   2HG1  ILE  70          1HG1      ILE  70  17.572  10.910  10.910
  174   1HG2  ILE  70          3HG2      ILE  70  19.656  12.496  12.496
  175   2HG2  ILE  70          2HG2      ILE  70  18.135  12.240  12.240
  176   3HG2  ILE  70          1HG2      ILE  70  18.762  13.858  13.858
  177   1HD1  ILE  70          1HD1      ILE  70  19.906  11.156  11.156
  178   2HD1  ILE  70          3HD1      ILE  70  19.277  11.816  11.816
  179   3HD1  ILE  70          2HD1      ILE  70  18.910  10.168  10.168
  180    H    HIS  71           H        HIS  71  16.956  15.901  15.901
  181    HA   HIS  71           HA       HIS  71  17.687  17.555  17.555
  182   1HB   HIS  71          2HB       HIS  71  16.167  19.125  19.125
  183   2HB   HIS  71          1HB       HIS  71  15.576  17.712  17.712
  184    HD1  HIS  71           HD1      HIS  71  15.286  20.771  20.771
  185    HD2  HIS  71           HD2      HIS  71  17.830  17.945  17.945
  186    HE1  HIS  71           HE1      HIS  71  15.857  21.451  21.451
  187    H    PHE  72           H        PHE  72  19.218  17.060  17.060
  188    HA   PHE  72           HA       PHE  72  20.800  19.531  19.531
  189   1HB   PHE  72          2HB       PHE  72  19.899  18.309  18.309
  190   2HB   PHE  72          1HB       PHE  72  21.298  17.282  17.282
  191    HD1  PHE  72           HD2      PHE  72  23.633  18.506  18.506
  192    HD2  PHE  72           HD1      PHE  72  20.076  20.400  20.400
  193    HE1  PHE  72           HE2      PHE  72  24.973  20.253  20.253
  194    HE2  PHE  72           HE1      PHE  72  21.417  22.146  22.146
  195    HZ   PHE  72           HZ       PHE  72  23.875  22.078  22.078
  196    H    ARG  73           H        ARG  73  20.923  16.408  16.408
  197    HA   ARG  73           HA       ARG  73  23.860  16.392  16.392
  198   1HB   ARG  73          2HB       ARG  73  21.672  14.299  14.299
  199   2HB   ARG  73          1HB       ARG  73  23.402  14.003  14.003
  200   1HG   ARG  73          2HG       ARG  73  23.467  15.173  15.173
  201   2HG   ARG  73          1HG       ARG  73  21.763  14.886  14.886
  202   1HD   ARG  73          2HD       ARG  73  21.948  12.522  12.522
  203   2HD   ARG  73          1HD       ARG  73  23.654  12.579  12.579
  204    HE   ARG  73           HE       ARG  73  23.054  13.950  13.950
  205   1HH1  ARG  73          1HH2      ARG  73  25.049  11.779  11.779
  206   2HH1  ARG  73          2HH2      ARG  73  25.212  10.698  10.698
  207   1HH2  ARG  73          2HH1      ARG  73  22.669  12.294  12.294
  208   2HH2  ARG  73          1HH1      ARG  73  23.806  10.997  10.997
  209    H    ILE  74           H        ILE  74  20.949  17.086  17.086
  210    HA   ILE  74           HA       ILE  74  21.864  16.982  16.982
  211    HB   ILE  74           HB       ILE  74  19.185  17.475  17.475
  212   1HG1  ILE  74          2HG1      ILE  74  20.004  15.497  15.497
  213   2HG1  ILE  74          1HG1      ILE  74  19.983  15.165  15.165
  214   1HG2  ILE  74          1HG2      ILE  74  19.348  19.159  19.159
  215   2HG2  ILE  74          3HG2      ILE  74  19.726  17.862  17.862
  216   3HG2  ILE  74          2HG2      ILE  74  18.147  17.946  17.946
  217   1HD1  ILE  74          1HD1      ILE  74  17.490  15.655  15.655
  218   2HD1  ILE  74          3HD1      ILE  74  17.551  15.968  15.968
  219   3HD1  ILE  74          2HD1      ILE  74  17.885  14.366  14.366
  220    H    GLY  75           H        GLY  75  20.221  19.364  19.364
  221   1HA   GLY  75          2HA       GLY  75  20.814  21.639  21.639
  222   2HA   GLY  75          1HA       GLY  75  20.531  21.660  21.660
  223    H    CYS  76           H        CYS  76  22.410  20.997  20.997
  224    HA   CYS  76           HA       CYS  76  24.540  22.813  22.813
  225   1HB   CYS  76          2HB       CYS  76  23.816  21.626  21.626
  226   2HB   CYS  76          1HB       CYS  76  24.612  20.196  20.196
  227    HG   CYS  76           HG       CYS  76  26.845  21.115  21.115
  228    H    ARG  77           H        ARG  77  24.125  19.912  19.912
  229    HA   ARG  77           HA       ARG  77  27.042  19.667  19.667
  230   1HB   ARG  77          2HB       ARG  77  25.568  17.709  17.709
  231   2HB   ARG  77          1HB       ARG  77  24.817  17.819  17.819
  232   1HG   ARG  77          2HG       ARG  77  26.908  17.319  17.319
  233   2HG   ARG  77          1HG       ARG  77  27.798  17.368  17.368
  234   1HD   ARG  77          2HD       ARG  77  26.402  15.471  15.471
  235   2HD   ARG  77          1HD       ARG  77  25.536  15.435  15.435
  236    HE   ARG  77           HE       ARG  77  28.409  15.173  15.173
  237   1HH1  ARG  77          2HH1      ARG  77  25.528  13.835  13.835
  238   2HH1  ARG  77          1HH1      ARG  77  25.997  12.173  12.173
  239   1HH2  ARG  77          1HH2      ARG  77  29.073  12.967  12.967
  240   2HH2  ARG  77          2HH2      ARG  77  28.060  11.678  11.678
  241    H    HIS  78           H        HIS  78  23.954  20.405  20.405
  242    HA   HIS  78           HA       HIS  78  24.859  20.224  20.224
  243   1HB   HIS  78          2HB       HIS  78  22.685  20.875  20.875
  244   2HB   HIS  78          1HB       HIS  78  22.356  20.703  20.703
  245    HD1  HIS  78           HD1      HIS  78  23.387  23.319  23.319
  246    HD2  HIS  78           HD2      HIS  78  21.662  23.023  23.023
  247    HE1  HIS  78           HE1      HIS  78  22.579  25.575  25.575
  248    H    SER  79           H        SER  79  24.985  22.499  22.499
  249    HA   SER  79           HA       SER  79  26.402  24.349  24.349
  250   1HB   SER  79          2HB       SER  79  28.039  23.267  23.267
  251   2HB   SER  79          1HB       SER  79  27.252  24.187  24.187
  252    HG   SER  79           HG       SER  79  29.091  25.182  25.182
  253    H    ARG  80           H        ARG  80  25.002  25.932  25.932
  254    HA   ARG  80           HA       ARG  80  23.103  26.982  26.982
  255   1HB   ARG  80          2HB       ARG  80  24.513  28.271  28.271
  256   2HB   ARG  80          1HB       ARG  80  23.179  29.040  29.040
  257   1HG   ARG  80          2HG       ARG  80  21.872  26.816  26.816
  258   2HG   ARG  80          1HG       ARG  80  23.188  26.423  26.423
  259   1HD   ARG  80          2HD       ARG  80  21.337  27.546  27.546
  260   2HD   ARG  80          1HD       ARG  80  22.787  28.539  28.539
  261    HE   ARG  80           HE       ARG  80  21.437  30.182  30.182
  262   1HH1  ARG  80          1HH2      ARG  80  21.603  29.457  29.457
  263   2HH1  ARG  80          2HH2      ARG  80  20.012  28.968  28.968
  264   1HH2  ARG  80          2HH1      ARG  80  18.986  28.519  28.519
  265   2HH2  ARG  80          1HH1      ARG  80  18.460  28.436  28.436
  266    H    ILE  81           H        ILE  81  26.466  27.487  27.487
  267    HA   ILE  81           HA       ILE  81  26.227  30.133  30.133
  268    HB   ILE  81           HB       ILE  81  28.667  28.287  28.287
  269   1HG1  ILE  81          2HG1      ILE  81  28.036  28.422  28.422
  270   2HG1  ILE  81          1HG1      ILE  81  29.416  29.454  29.454
  271   1HG2  ILE  81          2HG2      ILE  81  28.421  31.336  31.336
  272   2HG2  ILE  81          1HG2      ILE  81  29.931  30.445  30.445
  273   3HG2  ILE  81          3HG2      ILE  81  28.829  30.299  30.299
  274   1HD1  ILE  81          2HD1      ILE  81  27.904  31.468  31.468
  275   2HD1  ILE  81          1HD1      ILE  81  26.516  30.420  30.420
  276   3HD1  ILE  81          3HD1      ILE  81  27.734  30.582  30.582
  277    H    GLY  82           H        GLY  82  24.524  28.761  28.761
  278   1HA   GLY  82          2HA       GLY  82  25.502  27.234  27.234
  279   2HA   GLY  82          1HA       GLY  82  23.849  27.803  27.803
  280   1HN   NH2  83          1HT       GLY  82  27.063  29.335  29.335
  281   2HN   NH2  83          2HT       GLY  82  26.493  30.410  30.410

  Start of MODEL   11
    1   1H    ACE  50          1HA       ACE  50   2.201  -2.142  -2.142
    2   2H    ACE  50          2HA       ACE  50   2.592  -0.510  -0.510
    3   3H    ACE  50          3HA       ACE  50   1.078  -1.264  -1.264
    4    H    TYR  50           H        TYR  50   0.143  -2.302  -2.302
    5    HA   TYR  50           HA       TYR  50  -1.097  -1.894  -1.894
    6   1HB   TYR  50          2HB       TYR  50   1.056   0.220   0.220
    7   2HB   TYR  50          1HB       TYR  50  -0.113  -0.381  -0.381
    8    HD1  TYR  50           HD1      TYR  50   0.086  -2.682  -2.682
    9    HD2  TYR  50           HD2      TYR  50   2.904  -1.217  -1.217
   10    HE1  TYR  50           HE1      TYR  50   1.577  -4.549  -4.549
   11    HE2  TYR  50           HE2      TYR  50   4.391  -3.095  -3.095
   12    HH   TYR  50           HH       TYR  50   3.455  -5.707  -5.707
   13    H    GLY  51           H        GLY  51  -0.027   1.312   1.312
   14   1HA   GLY  51          2HA       GLY  51  -2.847   2.327   2.327
   15   2HA   GLY  51          1HA       GLY  51  -1.405   3.334   3.334
   16    H    ASP  52           H        ASP  52  -3.422   1.467   1.467
   17    HA   ASP  52           HA       ASP  52  -2.464   1.495   1.495
   18   1HB   ASP  52          2HB       ASP  52  -4.763   2.219   2.219
   19   2HB   ASP  52          1HB       ASP  52  -4.775   0.936   0.936
   20    H    THR  53           H        THR  53  -3.861   4.645   4.645
   21    HA   THR  53           HA       THR  53  -3.006   6.050   6.050
   22    HB   THR  53           HB       THR  53  -4.785   6.916   6.916
   23    HG1  THR  53           HG1      THR  53  -4.148   8.799   8.799
   24   1HG2  THR  53          2HG2      THR  53  -3.611   6.315   6.315
   25   2HG2  THR  53          1HG2      THR  53  -2.437   7.581   7.581
   26   3HG2  THR  53          3HG2      THR  53  -4.118   7.989   7.989
   27    H    TRP  54           H        TRP  54  -1.445   5.562   5.562
   28    HA   TRP  54           HA       TRP  54   0.831   7.247   7.247
   29   1HB   TRP  54          2HB       TRP  54   0.242   4.892   4.892
   30   2HB   TRP  54          1HB       TRP  54   1.918   5.343   5.343
   31    HD1  TRP  54           HD1      TRP  54  -1.092   6.410   6.410
   32    HE1  TRP  54           HE1      TRP  54  -0.620   8.549   8.549
   33    HE3  TRP  54           HE3      TRP  54   3.178   7.514   7.514
   34    HZ2  TRP  54           HZ2      TRP  54   1.390  10.491  10.491
   35    HZ3  TRP  54           HZ3      TRP  54   4.434   9.574   9.574
   36    HH2  TRP  54           HH2      TRP  54   3.522  11.054  11.054
   37    H    ALA  55           H        ALA  55   0.290   3.858   3.858
   38    HA   ALA  55           HA       ALA  55   2.861   3.209   3.209
   39   1HB   ALA  55          1HB       ALA  55   1.148   1.541   1.541
   40   2HB   ALA  55          3HB       ALA  55   0.133   2.047   2.047
   41   3HB   ALA  55          2HB       ALA  55   1.683   1.262   1.262
   42    H    GLY  56           H        GLY  56  -0.068   4.441   4.441
   43   1HA   GLY  56          2HA       GLY  56   0.869   4.412   4.412
   44   2HA   GLY  56          1HA       GLY  56  -0.401   5.477   5.477
   45    H    VAL  57           H        VAL  57   1.016   6.846   6.846
   46    HA   VAL  57           HA       VAL  57   2.431   8.839   8.839
   47    HB   VAL  57           HB       VAL  57   2.140   8.588   8.588
   48   1HG1  VAL  57          1HG1      VAL  57   2.942  11.009  11.009
   49   2HG1  VAL  57          3HG1      VAL  57   2.695  11.014  11.014
   50   3HG1  VAL  57          2HG1      VAL  57   4.024  10.106  10.106
   51   1HG2  VAL  57          1HG2      VAL  57  -0.061   8.843   8.843
   52   2HG2  VAL  57          3HG2      VAL  57   0.306  10.271  10.271
   53   3HG2  VAL  57          2HG2      VAL  57   0.554  10.271  10.271
   54    H    GLU  58           H        GLU  58   3.450   6.333   6.333
   55    HA   GLU  58           HA       GLU  58   6.207   7.215   7.215
   56   1HB   GLU  58          2HB       GLU  58   4.757   5.334   5.334
   57   2HB   GLU  58          1HB       GLU  58   5.549   4.256   4.256
   58   1HG   GLU  58          2HG       GLU  58   6.884   6.228   6.228
   59   2HG   GLU  58          1HG       GLU  58   6.824   4.494   4.494
   60    H    ALA  59           H        ALA  59   4.224   5.859   5.859
   61    HA   ALA  59           HA       ALA  59   6.354   4.615   4.615
   62   1HB   ALA  59          2HB       ALA  59   4.141   3.535   3.535
   63   2HB   ALA  59          1HB       ALA  59   3.387   4.949   4.949
   64   3HB   ALA  59          3HB       ALA  59   4.492   3.980   3.980
   65    H    ILE  60           H        ILE  60   4.403   7.520   7.520
   66    HA   ILE  60           HA       ILE  60   5.362   8.290   8.290
   67    HB   ILE  60           HB       ILE  60   4.195  10.530  10.530
   68   1HG1  ILE  60          2HG1      ILE  60   2.524   9.271   9.271
   69   2HG1  ILE  60          1HG1      ILE  60   4.099   9.780   9.780
   70   1HG2  ILE  60          2HG2      ILE  60   2.567   7.970   7.970
   71   2HG2  ILE  60          1HG2      ILE  60   1.934   9.547   9.547
   72   3HG2  ILE  60          3HG2      ILE  60   3.167   8.785   8.785
   73   1HD1  ILE  60          1HD1      ILE  60   2.113  11.561  11.561
   74   2HD1  ILE  60          3HD1      ILE  60   2.489  11.623  11.623
   75   3HD1  ILE  60          2HD1      ILE  60   3.712  12.056  12.056
   76    H    ILE  61           H        ILE  61   5.891   8.939   8.939
   77    HA   ILE  61           HA       ILE  61   7.647  11.104  11.104
   78    HB   ILE  61           HB       ILE  61   6.785   9.253   9.253
   79   1HG1  ILE  61          2HG1      ILE  61   6.662  11.214  11.214
   80   2HG1  ILE  61          1HG1      ILE  61   7.658  12.126  12.126
   81   1HG2  ILE  61          2HG2      ILE  61   9.569  10.253  10.253
   82   2HG2  ILE  61          1HG2      ILE  61   8.511   9.581   9.581
   83   3HG2  ILE  61          3HG2      ILE  61   9.017   8.583   8.583
   84   1HD1  ILE  61          2HD1      ILE  61   4.892  10.998  10.998
   85   2HD1  ILE  61          1HD1      ILE  61   5.244  12.681  12.681
   86   3HD1  ILE  61          3HD1      ILE  61   5.840  11.946  11.946
   87    H    ARG  62           H        ARG  62   8.133   7.681   7.681
   88    HA   ARG  62           HA       ARG  62  11.034   7.793   7.793
   89   1HB   ARG  62          2HB       ARG  62  11.047   5.507   5.507
   90   2HB   ARG  62          1HB       ARG  62   9.485   5.674   5.674
   91   1HG   ARG  62          2HG       ARG  62   8.621   6.186   6.186
   92   2HG   ARG  62          1HG       ARG  62  10.137   5.483   5.483
   93   1HD   ARG  62          2HD       ARG  62   8.116   4.041   4.041
   94   2HD   ARG  62          1HD       ARG  62   8.287   3.808   3.808
   95    HE   ARG  62           HE       ARG  62  10.676   3.315   3.315
   96   1HH1  ARG  62          1HH2      ARG  62   7.964   1.604   1.604
   97   2HH1  ARG  62          2HH2      ARG  62   8.575   0.262   0.262
   98   1HH2  ARG  62          2HH1      ARG  62  11.584   1.880   1.880
   99   2HH2  ARG  62          1HH1      ARG  62  10.676   0.428   0.428
  100    H    ILE  63           H        ILE  63   9.047   7.926   7.926
  101    HA   ILE  63           HA       ILE  63  11.424   8.267   8.267
  102    HB   ILE  63           HB       ILE  63   9.532   8.737   8.737
  103   1HG1  ILE  63          2HG1      ILE  63   7.392   7.512   7.512
  104   2HG1  ILE  63          1HG1      ILE  63   7.785   7.490   7.490
  105   1HG2  ILE  63          1HG2      ILE  63  10.889   6.688   6.688
  106   2HG2  ILE  63          3HG2      ILE  63   9.855   6.019   6.019
  107   3HG2  ILE  63          2HG2      ILE  63   9.226   6.284   6.284
  108   1HD1  ILE  63          1HD1      ILE  63   7.337   9.954   9.954
  109   2HD1  ILE  63          3HD1      ILE  63   6.253   9.322   9.322
  110   3HD1  ILE  63          2HD1      ILE  63   7.774  10.016  10.016
  111    H    LEU  64           H        LEU  64   9.098  10.413  10.413
  112    HA   LEU  64           HA       LEU  64   9.849  12.694  12.694
  113   1HB   LEU  64          2HB       LEU  64   7.602  12.380  12.380
  114   2HB   LEU  64          1HB       LEU  64   8.375  12.128  12.128
  115    HG   LEU  64           HG       LEU  64   9.157  14.337  14.337
  116   1HD1  LEU  64          1HD1      LEU  64   7.687  14.700  14.700
  117   2HD1  LEU  64          3HD1      LEU  64   8.384  16.020  16.020
  118   3HD1  LEU  64          2HD1      LEU  64   9.428  14.804  14.804
  119   1HD2  LEU  64          3HD2      LEU  64   6.179  14.147  14.147
  120   2HD2  LEU  64          2HD2      LEU  64   6.915  13.878  13.878
  121   3HD2  LEU  64          1HD2      LEU  64   6.914  15.486  15.486
  122    H    GLN  65           H        GLN  65  11.083  11.047  11.047
  123    HA   GLN  65           HA       GLN  65  12.760  13.387  13.387
  124   1HB   GLN  65          2HB       GLN  65  12.330  10.609  10.609
  125   2HB   GLN  65          1HB       GLN  65  13.856  11.399  11.399
  126   1HG   GLN  65          2HG       GLN  65  12.282  11.897  11.897
  127   2HG   GLN  65          1HG       GLN  65  12.663  13.370  13.370
  128   1HE2  GLN  65          2HE2      GLN  65   9.238  13.413  13.413
  129   2HE2  GLN  65          1HE2      GLN  65  10.810  13.511  13.511
  130    H    GLN  66           H        GLN  66  13.187  10.073  10.073
  131    HA   GLN  66           HA       GLN  66  15.932  10.358  10.358
  132   1HB   GLN  66          2HB       GLN  66  13.641   8.681   8.681
  133   2HB   GLN  66          1HB       GLN  66  15.223   8.497   8.497
  134   1HG   GLN  66          2HG       GLN  66  16.220   8.051   8.051
  135   2HG   GLN  66          1HG       GLN  66  14.654   8.308   8.308
  136   1HE2  GLN  66          2HE2      GLN  66  13.389   5.131   5.131
  137   2HE2  GLN  66          1HE2      GLN  66  12.898   6.743   6.743
  138    H    LEU  67           H        LEU  67  13.196  11.368  11.368
  139    HA   LEU  67           HA       LEU  67  14.931  12.141  12.141
  140   1HB   LEU  67          2HB       LEU  67  11.970  12.671  12.671
  141   2HB   LEU  67          1HB       LEU  67  12.772  13.001  13.001
  142    HG   LEU  67           HG       LEU  67  12.743  10.239  10.239
  143   1HD1  LEU  67          3HD1      LEU  67  10.972  11.315  11.315
  144   2HD1  LEU  67          2HD1      LEU  67  10.985   9.655   9.655
  145   3HD1  LEU  67          1HD1      LEU  67  10.426  10.936  10.936
  146   1HD2  LEU  67          2HD2      LEU  67  13.422  11.085  11.085
  147   2HD2  LEU  67          1HD2      LEU  67  14.599  10.588  10.588
  148   3HD2  LEU  67          3HD2      LEU  67  13.428   9.441   9.441
  149    H    LEU  68           H        LEU  68  13.475  13.720  13.720
  150    HA   LEU  68           HA       LEU  68  14.003  16.400  16.400
  151   1HB   LEU  68          2HB       LEU  68  12.364  16.037  16.037
  152   2HB   LEU  68          1HB       LEU  68  13.501  15.050  15.050
  153    HG   LEU  68           HG       LEU  68  14.914  16.895  16.895
  154   1HD1  LEU  68          1HD1      LEU  68  12.771  18.629  18.629
  155   2HD1  LEU  68          3HD1      LEU  68  14.125  19.284  19.284
  156   3HD1  LEU  68          2HD1      LEU  68  14.420  18.400  18.400
  157   1HD2  LEU  68          1HD2      LEU  68  13.189  16.420  16.420
  158   2HD2  LEU  68          3HD2      LEU  68  13.425  18.155  18.155
  159   3HD2  LEU  68          2HD2      LEU  68  12.026  17.429  17.429
  160    H    PHE  69           H        PHE  69  15.785  13.703  13.703
  161    HA   PHE  69           HA       PHE  69  18.023  15.303  15.303
  162   1HB   PHE  69          2HB       PHE  69  17.938  12.379  12.379
  163   2HB   PHE  69          1HB       PHE  69  19.275  13.108  13.108
  164    HD1  PHE  69           HD1      PHE  69  16.747  14.579  14.579
  165    HD2  PHE  69           HD2      PHE  69  18.267  10.672  10.672
  166    HE1  PHE  69           HE1      PHE  69  15.800  13.780  13.780
  167    HE2  PHE  69           HE2      PHE  69  17.312   9.877   9.877
  168    HZ   PHE  69           HZ       PHE  69  16.075  11.424  11.424
  169    H    ILE  70           H        ILE  70  17.297  13.483  13.483
  170    HA   ILE  70           HA       ILE  70  19.714  13.875  13.875
  171    HB   ILE  70           HB       ILE  70  17.016  13.992  13.992
  172   1HG1  ILE  70          2HG1      ILE  70  16.780  12.199  12.199
  173   2HG1  ILE  70          1HG1      ILE  70  17.147  11.429  11.429
  174   1HG2  ILE  70          1HG2      ILE  70  19.118  14.188  14.188
  175   2HG2  ILE  70          3HG2      ILE  70  19.704  12.681  12.681
  176   3HG2  ILE  70          2HG2      ILE  70  18.282  12.692  12.692
  177   1HD1  ILE  70          3HD1      ILE  70  19.544  11.177  11.177
  178   2HD1  ILE  70          2HD1      ILE  70  19.060  11.915  11.915
  179   3HD1  ILE  70          1HD1      ILE  70  18.362  10.391  10.391
  180    H    HIS  71           H        HIS  71  16.979  16.069  16.069
  181    HA   HIS  71           HA       HIS  71  17.767  18.015  18.015
  182   1HB   HIS  71          2HB       HIS  71  15.683  18.518  18.518
  183   2HB   HIS  71          1HB       HIS  71  16.273  18.038  18.038
  184    HD1  HIS  71           HD1      HIS  71  15.592  21.055  21.055
  185    HD2  HIS  71           HD2      HIS  71  18.171  19.820  19.820
  186    HE1  HIS  71           HE1      HIS  71  16.459  23.078  23.078
  187    H    PHE  72           H        PHE  72  19.016  17.435  17.435
  188    HA   PHE  72           HA       PHE  72  20.782  19.748  19.748
  189   1HB   PHE  72          2HB       PHE  72  19.647  18.488  18.488
  190   2HB   PHE  72          1HB       PHE  72  20.959  17.352  17.352
  191    HD1  PHE  72           HD1      PHE  72  22.730  20.227  20.227
  192    HD2  PHE  72           HD2      PHE  72  20.591  18.483  18.483
  193    HE1  PHE  72           HE1      PHE  72  24.045  21.542  21.542
  194    HE2  PHE  72           HE2      PHE  72  21.909  19.802  19.802
  195    HZ   PHE  72           HZ       PHE  72  23.647  21.341  21.341
  196    H    ARG  73           H        ARG  73  20.906  16.602  16.602
  197    HA   ARG  73           HA       ARG  73  23.846  16.381  16.381
  198   1HB   ARG  73          2HB       ARG  73  21.796  14.577  14.577
  199   2HB   ARG  73          1HB       ARG  73  23.457  14.215  14.215
  200   1HG   ARG  73          2HG       ARG  73  22.575  15.221  15.221
  201   2HG   ARG  73          1HG       ARG  73  21.062  14.764  14.764
  202   1HD   ARG  73          2HD       ARG  73  21.870  12.875  12.875
  203   2HD   ARG  73          1HD       ARG  73  21.982  12.465  12.465
  204    HE   ARG  73           HE       ARG  73  24.326  12.420  12.420
  205   1HH1  ARG  73          1HH2      ARG  73  25.165  14.938  14.938
  206   2HH1  ARG  73          2HH2      ARG  73  25.574  14.822  14.822
  207   1HH2  ARG  73          2HH1      ARG  73  23.772  11.837  11.837
  208   2HH2  ARG  73          1HH1      ARG  73  24.775  12.984  12.984
  209    H    ILE  74           H        ILE  74  21.139  17.347  17.347
  210    HA   ILE  74           HA       ILE  74  22.372  17.428  17.428
  211    HB   ILE  74           HB       ILE  74  19.625  18.008  18.008
  212   1HG1  ILE  74          2HG1      ILE  74  20.501  16.206  16.206
  213   2HG1  ILE  74          1HG1      ILE  74  20.372  15.706  15.706
  214   1HG2  ILE  74          2HG2      ILE  74  20.009  19.839  19.839
  215   2HG2  ILE  74          1HG2      ILE  74  20.377  18.623  18.623
  216   3HG2  ILE  74          3HG2      ILE  74  18.765  18.731  18.731
  217   1HD1  ILE  74          2HD1      ILE  74  17.922  16.266  16.266
  218   2HD1  ILE  74          1HD1      ILE  74  18.052  16.771  16.771
  219   3HD1  ILE  74          3HD1      ILE  74  18.315  15.102  15.102
  220    H    GLY  75           H        GLY  75  20.721  19.917  19.917
  221   1HA   GLY  75          2HA       GLY  75  21.535  22.231  22.231
  222   2HA   GLY  75          1HA       GLY  75  21.468  22.057  22.057
  223    H    CYS  76           H        CYS  76  23.424  21.318  21.318
  224    HA   CYS  76           HA       CYS  76  25.621  22.983  22.983
  225   1HB   CYS  76          2HB       CYS  76  25.580  20.400  20.400
  226   2HB   CYS  76          1HB       CYS  76  26.795  21.643  21.643
  227    HG   CYS  76           HG       CYS  76  25.277  23.048  23.048
  228    H    ARG  77           H        ARG  77  25.081  19.754  19.754
  229    HA   ARG  77           HA       ARG  77  27.853  19.459  19.459
  230   1HB   ARG  77          2HB       ARG  77  26.243  17.560  17.560
  231   2HB   ARG  77          1HB       ARG  77  25.408  17.853  17.853
  232   1HG   ARG  77          2HG       ARG  77  27.419  17.295  17.295
  233   2HG   ARG  77          1HG       ARG  77  28.344  17.097  17.097
  234   1HD   ARG  77          2HD       ARG  77  26.768  15.256  15.256
  235   2HD   ARG  77          1HD       ARG  77  25.910  15.437  15.437
  236    HE   ARG  77           HE       ARG  77  27.723  14.400  14.400
  237   1HH1  ARG  77          2HH1      ARG  77  30.135  15.485  15.485
  238   2HH1  ARG  77          1HH1      ARG  77  30.870  14.440  14.440
  239   1HH2  ARG  77          1HH2      ARG  77  27.812  12.900  12.900
  240   2HH2  ARG  77          2HH2      ARG  77  29.499  12.919  12.919
  241    H    HIS  78           H        HIS  78  24.839  20.644  20.644
  242    HA   HIS  78           HA       HIS  78  25.629  20.712  20.712
  243   1HB   HIS  78          2HB       HIS  78  23.151  21.540  21.540
  244   2HB   HIS  78          1HB       HIS  78  23.368  22.052  22.052
  245    HD1  HIS  78           HD1      HIS  78  23.673  18.762  18.762
  246    HD2  HIS  78           HD2      HIS  78  22.333  20.441  20.441
  247    HE1  HIS  78           HE1      HIS  78  22.645  16.935  16.935
  248    H    SER  79           H        SER  79  24.411  23.278  23.278
  249    HA   SER  79           HA       SER  79  26.597  25.075  25.075
  250   1HB   SER  79          2HB       SER  79  23.838  25.408  25.408
  251   2HB   SER  79          1HB       SER  79  24.952  26.769  26.769
  252    HG   SER  79           HG       SER  79  26.190  24.550  24.550
  253    H    ARG  80           H        ARG  80  26.819  26.076  26.076
  254    HA   ARG  80           HA       ARG  80  24.500  27.360  27.360
  255   1HB   ARG  80          2HB       ARG  80  24.443  24.843  24.843
  256   2HB   ARG  80          1HB       ARG  80  25.827  25.223  25.223
  257   1HG   ARG  80          2HG       ARG  80  23.921  25.472  25.472
  258   2HG   ARG  80          1HG       ARG  80  24.379  27.113  27.113
  259   1HD   ARG  80          2HD       ARG  80  22.622  27.190  27.190
  260   2HD   ARG  80          1HD       ARG  80  22.146  25.548  25.548
  261    HE   ARG  80           HE       ARG  80  22.125  27.321  27.321
  262   1HH1  ARG  80          1HH2      ARG  80  20.064  25.454  25.454
  263   2HH1  ARG  80          2HH2      ARG  80  18.668  26.224  26.224
  264   1HH2  ARG  80          2HH1      ARG  80  20.557  28.675  28.675
  265   2HH2  ARG  80          1HH1      ARG  80  18.954  28.099  28.099
  266    H    ILE  81           H        ILE  81  27.528  26.172  26.172
  267    HA   ILE  81           HA       ILE  81  28.510  28.949  28.949
  268    HB   ILE  81           HB       ILE  81  28.592  26.887  26.887
  269   1HG1  ILE  81          2HG1      ILE  81  26.579  29.160  29.160
  270   2HG1  ILE  81          1HG1      ILE  81  26.236  27.443  27.443
  271   1HG2  ILE  81          3HG2      ILE  81  29.047  29.918  29.918
  272   2HG2  ILE  81          2HG2      ILE  81  29.159  28.885  28.885
  273   3HG2  ILE  81          1HG2      ILE  81  30.319  28.714  28.714
  274   1HD1  ILE  81          1HD1      ILE  81  26.864  27.242  27.242
  275   2HD1  ILE  81          3HD1      ILE  81  27.194  28.967  28.967
  276   3HD1  ILE  81          2HD1      ILE  81  25.569  28.404  28.404
  277    H    GLY  82           H        GLY  82  30.906  28.896  28.896
  278   1HA   GLY  82          2HA       GLY  82  32.417  26.477  26.477
  279   2HA   GLY  82          1HA       GLY  82  32.497  27.596  27.596
  280   1HN   NH2  83          1HT       GLY  82  34.741  27.099  27.099
  281   2HN   NH2  83          2HT       GLY  82  35.078  28.572  28.572

  Start of MODEL   12
    1   1H    ACE  50          1HA       ACE  50  -3.404  -2.115  -2.115
    2   2H    ACE  50          2HA       ACE  50  -3.849  -3.738  -3.738
    3   3H    ACE  50          3HA       ACE  50  -5.097  -2.526  -2.526
    4    H    TYR  50           H        TYR  50  -2.247  -3.154  -3.154
    5    HA   TYR  50           HA       TYR  50  -1.589  -2.335  -2.335
    6   1HB   TYR  50          2HB       TYR  50  -3.673  -4.107  -4.107
    7   2HB   TYR  50          1HB       TYR  50  -4.416  -2.742  -2.742
    8    HD1  TYR  50           HD2      TYR  50  -3.496  -1.898  -1.898
    9    HD2  TYR  50           HD1      TYR  50  -1.753  -5.253  -5.253
   10    HE1  TYR  50           HE2      TYR  50  -2.280  -2.488  -2.488
   11    HE2  TYR  50           HE1      TYR  50  -0.543  -5.822  -5.822
   12    HH   TYR  50           HH       TYR  50  -0.160  -3.757  -3.757
   13    H    GLY  51           H        GLY  51  -2.283  -0.268  -0.268
   14   1HA   GLY  51          2HA       GLY  51  -4.079   1.689   1.689
   15   2HA   GLY  51          1HA       GLY  51  -2.631   2.036   2.036
   16    H    ASP  52           H        ASP  52  -3.746   1.464   1.464
   17    HA   ASP  52           HA       ASP  52  -1.555   2.325   2.325
   18   1HB   ASP  52          2HB       ASP  52  -3.496   1.585   1.585
   19   2HB   ASP  52          1HB       ASP  52  -4.503   2.851   2.851
   20    H    THR  53           H        THR  53  -3.801   4.449   4.449
   21    HA   THR  53           HA       THR  53  -2.910   6.844   6.844
   22    HB   THR  53           HB       THR  53  -3.753   6.549   6.549
   23    HG1  THR  53           HG1      THR  53  -5.146   6.248   6.248
   24   1HG2  THR  53          3HG2      THR  53  -4.497   8.644   8.644
   25   2HG2  THR  53          2HG2      THR  53  -4.947   8.674   8.674
   26   3HG2  THR  53          1HG2      THR  53  -3.272   8.913   8.913
   27    H    TRP  54           H        TRP  54  -1.527   4.897   4.897
   28    HA   TRP  54           HA       TRP  54   0.627   6.866   6.866
   29   1HB   TRP  54          2HB       TRP  54  -0.263   4.307   4.307
   30   2HB   TRP  54          1HB       TRP  54   1.444   4.704   4.704
   31    HD1  TRP  54           HD1      TRP  54  -1.822   5.644   5.644
   32    HE1  TRP  54           HE1      TRP  54  -1.506   7.578   7.578
   33    HE3  TRP  54           HE3      TRP  54   2.831   6.933   6.933
   34    HZ2  TRP  54           HZ2      TRP  54   0.459   9.404   9.404
   35    HZ3  TRP  54           HZ3      TRP  54   3.940   8.842   8.842
   36    HH2  TRP  54           HH2      TRP  54   2.748  10.073  10.073
   37    H    ALA  55           H        ALA  55   0.311   3.531   3.531
   38    HA   ALA  55           HA       ALA  55   2.984   3.087   3.087
   39   1HB   ALA  55          2HB       ALA  55   1.361   1.269   1.269
   40   2HB   ALA  55          1HB       ALA  55   0.425   1.784   1.784
   41   3HB   ALA  55          3HB       ALA  55   2.043   1.144   1.144
   42    H    GLY  56           H        GLY  56   0.245   4.090   4.090
   43   1HA   GLY  56          2HA       GLY  56   1.692   4.149   4.149
   44   2HA   GLY  56          1HA       GLY  56   0.179   5.006   5.006
   45    H    VAL  57           H        VAL  57   1.010   6.528   6.528
   46    HA   VAL  57           HA       VAL  57   2.393   8.667   8.667
   47    HB   VAL  57           HB       VAL  57   1.496   8.463   8.463
   48   1HG1  VAL  57          1HG1      VAL  57   2.339  10.925  10.925
   49   2HG1  VAL  57          3HG1      VAL  57   1.746  10.948  10.948
   50   3HG1  VAL  57          2HG1      VAL  57   3.292  10.212  10.212
   51   1HG2  VAL  57          1HG2      VAL  57   0.249   9.857   9.857
   52   2HG2  VAL  57          3HG2      VAL  57  -0.355   8.378   8.378
   53   3HG2  VAL  57          2HG2      VAL  57  -0.402   9.877   9.877
   54    H    GLU  58           H        GLU  58   3.297   6.346   6.346
   55    HA   GLU  58           HA       GLU  58   5.877   7.588   7.588
   56   1HB   GLU  58          2HB       GLU  58   4.410   5.161   5.161
   57   2HB   GLU  58          1HB       GLU  58   6.075   4.784   4.784
   58   1HG   GLU  58          2HG       GLU  58   5.154   7.135   7.135
   59   2HG   GLU  58          1HG       GLU  58   5.566   5.555   5.555
   60    H    ALA  59           H        ALA  59   4.513   5.651   5.651
   61    HA   ALA  59           HA       ALA  59   7.039   4.615   4.615
   62   1HB   ALA  59          3HB       ALA  59   4.950   3.246   3.246
   63   2HB   ALA  59          2HB       ALA  59   4.181   4.504   4.504
   64   3HB   ALA  59          1HB       ALA  59   5.537   3.615   3.615
   65    H    ILE  60           H        ILE  60   4.604   7.058   7.058
   66    HA   ILE  60           HA       ILE  60   6.008   7.783   7.783
   67    HB   ILE  60           HB       ILE  60   4.523   9.847   9.847
   68   1HG1  ILE  60          2HG1      ILE  60   2.765   8.698   8.698
   69   2HG1  ILE  60          1HG1      ILE  60   4.163   9.515   9.515
   70   1HG2  ILE  60          1HG2      ILE  60   3.117   7.151   7.151
   71   2HG2  ILE  60          3HG2      ILE  60   2.432   8.580   8.580
   72   3HG2  ILE  60          2HG2      ILE  60   3.839   7.809   7.809
   73   1HD1  ILE  60          1HD1      ILE  60   2.168  10.721  10.721
   74   2HD1  ILE  60          3HD1      ILE  60   2.334  11.143  11.143
   75   3HD1  ILE  60          2HD1      ILE  60   3.614  11.533  11.533
   76    H    ILE  61           H        ILE  61   5.901   8.671   8.671
   77    HA   ILE  61           HA       ILE  61   7.367  11.041  11.041
   78    HB   ILE  61           HB       ILE  61   6.720   9.058   9.058
   79   1HG1  ILE  61          2HG1      ILE  61   6.736  12.103  12.103
   80   2HG1  ILE  61          1HG1      ILE  61   5.362  11.103  11.103
   81   1HG2  ILE  61          3HG2      ILE  61   9.110  10.765  10.765
   82   2HG2  ILE  61          2HG2      ILE  61   8.181   9.848   9.848
   83   3HG2  ILE  61          1HG2      ILE  61   9.012   9.008   9.008
   84   1HD1  ILE  61          3HD1      ILE  61   5.375  10.105  10.105
   85   2HD1  ILE  61          2HD1      ILE  61   6.708  11.155  11.155
   86   3HD1  ILE  61          1HD1      ILE  61   5.153  11.846  11.846
   87    H    ARG  62           H        ARG  62   8.295   7.773   7.773
   88    HA   ARG  62           HA       ARG  62  11.130   8.310   8.310
   89   1HB   ARG  62          2HB       ARG  62  10.074   6.003   6.003
   90   2HB   ARG  62          1HB       ARG  62   9.984   5.935   5.935
   91   1HG   ARG  62          2HG       ARG  62  12.409   6.144   6.144
   92   2HG   ARG  62          1HG       ARG  62  12.590   6.512   6.512
   93   1HD   ARG  62          2HD       ARG  62  13.231   4.186   4.186
   94   2HD   ARG  62          1HD       ARG  62  11.754   4.216   4.216
   95    HE   ARG  62           HE       ARG  62  11.377   4.048   4.048
   96   1HH1  ARG  62          1HH2      ARG  62   9.159   3.076   3.076
   97   2HH1  ARG  62          2HH2      ARG  62   9.383   1.399   1.399
   98   1HH2  ARG  62          2HH1      ARG  62  12.891   1.703   1.703
   99   2HH2  ARG  62          1HH1      ARG  62  11.606   0.581   0.581
  100    H    ILE  63           H        ILE  63   9.301   7.692   7.692
  101    HA   ILE  63           HA       ILE  63  11.535   8.355   8.355
  102    HB   ILE  63           HB       ILE  63   9.663   8.440   8.440
  103   1HG1  ILE  63          2HG1      ILE  63   7.611   7.061   7.061
  104   2HG1  ILE  63          1HG1      ILE  63   7.961   7.380   7.380
  105   1HG2  ILE  63          3HG2      ILE  63  10.184   5.907   5.907
  106   2HG2  ILE  63          2HG2      ILE  63   9.558   5.956   5.956
  107   3HG2  ILE  63          1HG2      ILE  63  11.172   6.543   6.543
  108   1HD1  ILE  63          1HD1      ILE  63   7.424   9.469   9.469
  109   2HD1  ILE  63          3HD1      ILE  63   6.301   8.964   8.964
  110   3HD1  ILE  63          2HD1      ILE  63   7.734   9.843   9.843
  111    H    LEU  64           H        LEU  64   8.978  10.310  10.310
  112    HA   LEU  64           HA       LEU  64   9.419  12.530  12.530
  113   1HB   LEU  64          2HB       LEU  64   7.307  12.141  12.141
  114   2HB   LEU  64          1HB       LEU  64   8.204  12.016  12.016
  115    HG   LEU  64           HG       LEU  64   8.802  14.288  14.288
  116   1HD1  LEU  64          1HD1      LEU  64   7.163  14.398  14.398
  117   2HD1  LEU  64          3HD1      LEU  64   7.793  15.812  15.812
  118   3HD1  LEU  64          2HD1      LEU  64   8.899  14.655  14.655
  119   1HD2  LEU  64          2HD2      LEU  64   6.629  13.660  13.660
  120   2HD2  LEU  64          1HD2      LEU  64   6.467  15.244  15.244
  121   3HD2  LEU  64          3HD2      LEU  64   5.810  13.837  13.837
  122    H    GLN  65           H        GLN  65  10.904  11.267  11.267
  123    HA   GLN  65           HA       GLN  65  12.488  13.732  13.732
  124   1HB   GLN  65          2HB       GLN  65  12.252  11.058  11.058
  125   2HB   GLN  65          1HB       GLN  65  13.765  11.924  11.924
  126   1HG   GLN  65          2HG       GLN  65  12.399  12.619  12.619
  127   2HG   GLN  65          1HG       GLN  65  12.398  13.965  13.965
  128   1HE2  GLN  65          2HE2      GLN  65   8.864  13.188  13.188
  129   2HE2  GLN  65          1HE2      GLN  65  10.295  13.328  13.328
  130    H    GLN  66           H        GLN  66  13.076  10.392  10.392
  131    HA   GLN  66           HA       GLN  66  15.762  10.605  10.605
  132   1HB   GLN  66          2HB       GLN  66  13.444   8.910   8.910
  133   2HB   GLN  66          1HB       GLN  66  15.011   8.622   8.622
  134   1HG   GLN  66          2HG       GLN  66  15.925   8.248   8.248
  135   2HG   GLN  66          1HG       GLN  66  14.288   8.415   8.415
  136   1HE2  GLN  66          2HE2      GLN  66  13.581   5.305   5.305
  137   2HE2  GLN  66          1HE2      GLN  66  13.135   6.919   6.919
  138    H    LEU  67           H        LEU  67  12.931  11.332  11.332
  139    HA   LEU  67           HA       LEU  67  14.538  11.859  11.859
  140   1HB   LEU  67          2HB       LEU  67  11.603  12.472  12.472
  141   2HB   LEU  67          1HB       LEU  67  12.335  12.553  12.553
  142    HG   LEU  67           HG       LEU  67  12.294   9.994   9.994
  143   1HD1  LEU  67          1HD1      LEU  67  10.426  10.855  10.855
  144   2HD1  LEU  67          3HD1      LEU  67  10.416   9.276   9.276
  145   3HD1  LEU  67          2HD1      LEU  67   9.966  10.698  10.698
  146   1HD2  LEU  67          1HD2      LEU  67  12.881  10.407  10.407
  147   2HD2  LEU  67          3HD2      LEU  67  14.036   9.963   9.963
  148   3HD2  LEU  67          2HD2      LEU  67  12.764   8.856   8.856
  149    H    LEU  68           H        LEU  68  12.996  13.718  13.718
  150    HA   LEU  68           HA       LEU  68  13.521  16.271  16.271
  151   1HB   LEU  68          2HB       LEU  68  11.854  16.091  16.091
  152   2HB   LEU  68          1HB       LEU  68  12.973  15.222  15.222
  153    HG   LEU  68           HG       LEU  68  14.333  17.101  17.101
  154   1HD1  LEU  68          2HD1      LEU  68  12.279  18.663  18.663
  155   2HD1  LEU  68          1HD1      LEU  68  13.590  19.416  19.416
  156   3HD1  LEU  68          3HD1      LEU  68  13.952  18.367  18.367
  157   1HD2  LEU  68          1HD2      LEU  68  11.392  17.695  17.695
  158   2HD2  LEU  68          3HD2      LEU  68  12.504  16.787  16.787
  159   3HD2  LEU  68          2HD2      LEU  68  12.736  18.512  18.512
  160    H    PHE  69           H        PHE  69  15.445  13.782  13.782
  161    HA   PHE  69           HA       PHE  69  17.556  15.538  15.538
  162   1HB   PHE  69          2HB       PHE  69  17.651  12.617  12.617
  163   2HB   PHE  69          1HB       PHE  69  19.004  13.441  13.441
  164    HD1  PHE  69           HD2      PHE  69  16.468  14.800  14.800
  165    HD2  PHE  69           HD1      PHE  69  18.262  11.003  11.003
  166    HE1  PHE  69           HE2      PHE  69  15.731  14.018  14.018
  167    HE2  PHE  69           HE1      PHE  69  17.512  10.224  10.224
  168    HZ   PHE  69           HZ       PHE  69  16.244  11.726  11.726
  169    H    ILE  70           H        ILE  70  16.722  13.969  13.969
  170    HA   ILE  70           HA       ILE  70  19.008  14.180  14.180
  171    HB   ILE  70           HB       ILE  70  16.162  14.818  14.818
  172   1HG1  ILE  70          2HG1      ILE  70  17.598  12.117  12.117
  173   2HG1  ILE  70          1HG1      ILE  70  16.646  12.559  12.559
  174   1HG2  ILE  70          3HG2      ILE  70  18.562  13.735  13.735
  175   2HG2  ILE  70          2HG2      ILE  70  16.950  13.985  13.985
  176   3HG2  ILE  70          1HG2      ILE  70  17.912  15.354  15.354
  177   1HD1  ILE  70          2HD1      ILE  70  14.698  12.973  12.973
  178   2HD1  ILE  70          1HD1      ILE  70  15.596  12.456  12.456
  179   3HD1  ILE  70          3HD1      ILE  70  15.297  11.323  11.323
  180    H    HIS  71           H        HIS  71  16.646  16.736  16.736
  181    HA   HIS  71           HA       HIS  71  17.661  18.741  18.741
  182   1HB   HIS  71          2HB       HIS  71  15.723  19.426  19.426
  183   2HB   HIS  71          1HB       HIS  71  16.207  18.690  18.690
  184    HD1  HIS  71           HD1      HIS  71  16.181  21.965  21.965
  185    HD2  HIS  71           HD2      HIS  71  18.255  20.003  20.003
  186    HE1  HIS  71           HE1      HIS  71  17.355  23.661  23.661
  187    H    PHE  72           H        PHE  72  18.784  17.818  17.818
  188    HA   PHE  72           HA       PHE  72  20.862  19.804  19.804
  189   1HB   PHE  72          2HB       PHE  72  19.794  18.467  18.467
  190   2HB   PHE  72          1HB       PHE  72  20.679  17.067  17.067
  191    HD1  PHE  72           HD2      PHE  72  21.020  20.400  20.400
  192    HD2  PHE  72           HD1      PHE  72  23.087  16.866  16.866
  193    HE1  PHE  72           HE2      PHE  72  22.983  21.107  21.107
  194    HE2  PHE  72           HE1      PHE  72  25.038  17.572  17.572
  195    HZ   PHE  72           HZ       PHE  72  24.998  19.697  19.697
  196    H    ARG  73           H        ARG  73  20.685  16.794  16.794
  197    HA   ARG  73           HA       ARG  73  23.578  16.462  16.462
  198   1HB   ARG  73          2HB       ARG  73  21.260  14.925  14.925
  199   2HB   ARG  73          1HB       ARG  73  22.882  14.315  14.315
  200   1HG   ARG  73          2HG       ARG  73  22.269  15.091  15.091
  201   2HG   ARG  73          1HG       ARG  73  20.673  14.921  14.921
  202   1HD   ARG  73          2HD       ARG  73  22.679  12.637  12.637
  203   2HD   ARG  73          1HD       ARG  73  21.523  12.820  12.820
  204    HE   ARG  73           HE       ARG  73  20.554  12.608  12.608
  205   1HH1  ARG  73          2HH1      ARG  73  18.393  12.678  12.678
  206   2HH1  ARG  73          1HH1      ARG  73  18.089  11.071  11.071
  207   1HH2  ARG  73          1HH2      ARG  73  21.376  10.067  10.067
  208   2HH2  ARG  73          2HH2      ARG  73  19.897   9.503   9.503
  209    H    ILE  74           H        ILE  74  20.826  17.462  17.462
  210    HA   ILE  74           HA       ILE  74  22.052  17.875  17.875
  211    HB   ILE  74           HB       ILE  74  19.451  18.498  18.498
  212   1HG1  ILE  74          2HG1      ILE  74  20.161  17.236  17.236
  213   2HG1  ILE  74          1HG1      ILE  74  19.760  16.402  16.402
  214   1HG2  ILE  74          2HG2      ILE  74  20.138  19.923  19.923
  215   2HG2  ILE  74          1HG2      ILE  74  18.556  19.897  19.897
  216   3HG2  ILE  74          3HG2      ILE  74  19.897  20.686  20.686
  217   1HD1  ILE  74          2HD1      ILE  74  17.442  17.392  17.392
  218   2HD1  ILE  74          1HD1      ILE  74  17.852  18.178  18.178
  219   3HD1  ILE  74          3HD1      ILE  74  17.812  16.434  16.434
  220    H    GLY  75           H        GLY  75  21.382  20.094  20.094
  221   1HA   GLY  75          2HA       GLY  75  22.424  22.454  22.454
  222   2HA   GLY  75          1HA       GLY  75  22.438  22.175  22.175
  223    H    CYS  76           H        CYS  76  24.032  20.208  20.208
  224    HA   CYS  76           HA       CYS  76  26.656  21.199  21.199
  225   1HB   CYS  76          2HB       CYS  76  25.738  18.323  18.323
  226   2HB   CYS  76          1HB       CYS  76  27.368  18.885  18.885
  227    HG   CYS  76           HG       CYS  76  26.682  19.877  19.877
  228    H    ARG  77           H        ARG  77  25.111  18.744  18.744
  229    HA   ARG  77           HA       ARG  77  27.524  18.379  18.379
  230   1HB   ARG  77          2HB       ARG  77  25.950  17.143  17.143
  231   2HB   ARG  77          1HB       ARG  77  25.771  16.620  16.620
  232   1HG   ARG  77          2HG       ARG  77  23.886  18.128  18.128
  233   2HG   ARG  77          1HG       ARG  77  24.110  18.565  18.565
  234   1HD   ARG  77          2HD       ARG  77  23.611  15.709  15.709
  235   2HD   ARG  77          1HD       ARG  77  22.412  16.694  16.694
  236    HE   ARG  77           HE       ARG  77  24.587  15.274  15.274
  237   1HH1  ARG  77          1HH2      ARG  77  21.762  16.615  16.615
  238   2HH1  ARG  77          2HH2      ARG  77  22.202  17.460  17.460
  239   1HH2  ARG  77          2HH1      ARG  77  25.638  16.964  16.964
  240   2HH2  ARG  77          1HH1      ARG  77  24.493  17.661  17.661
  241    H    HIS  78           H        HIS  78  25.269  20.927  20.927
  242    HA   HIS  78           HA       HIS  78  25.628  21.568  21.568
  243   1HB   HIS  78          2HB       HIS  78  24.129  22.865  22.865
  244   2HB   HIS  78          1HB       HIS  78  24.514  23.849  23.849
  245    HD1  HIS  78           HD1      HIS  78  23.229  20.320  20.320
  246    HD2  HIS  78           HD2      HIS  78  22.552  23.722  23.722
  247    HE1  HIS  78           HE1      HIS  78  21.363  19.866  19.866
  248    H    SER  79           H        SER  79  26.817  23.034  23.034
  249    HA   SER  79           HA       SER  79  29.398  23.655  23.655
  250   1HB   SER  79          2HB       SER  79  28.664  25.058  25.058
  251   2HB   SER  79          1HB       SER  79  27.520  25.939  25.939
  252    HG   SER  79           HG       SER  79  30.253  26.125  26.125
  253    H    ARG  80           H        ARG  80  26.635  25.281  25.281
  254    HA   ARG  80           HA       ARG  80  26.335  26.552  26.552
  255   1HB   ARG  80          2HB       ARG  80  26.767  24.051  24.051
  256   2HB   ARG  80          1HB       ARG  80  28.338  24.615  24.615
  257   1HG   ARG  80          2HG       ARG  80  26.917  24.797  24.797
  258   2HG   ARG  80          1HG       ARG  80  27.094  26.441  26.441
  259   1HD   ARG  80          2HD       ARG  80  24.875  25.939  25.939
  260   2HD   ARG  80          1HD       ARG  80  24.719  24.581  24.581
  261    HE   ARG  80           HE       ARG  80  24.884  26.309  26.309
  262   1HH1  ARG  80          1HH2      ARG  80  25.334  28.573  28.573
  263   2HH1  ARG  80          2HH2      ARG  80  23.759  29.287  29.287
  264   1HH2  ARG  80          2HH1      ARG  80  22.210  26.446  26.446
  265   2HH2  ARG  80          1HH1      ARG  80  21.922  28.029  28.029
  266    H    ILE  81           H        ILE  81  27.772  27.969  27.969
  267    HA   ILE  81           HA       ILE  81  29.151  29.851  29.851
  268    HB   ILE  81           HB       ILE  81  29.978  29.158  29.158
  269   1HG1  ILE  81          2HG1      ILE  81  27.556  30.850  30.850
  270   2HG1  ILE  81          1HG1      ILE  81  27.410  29.216  29.216
  271   1HG2  ILE  81          2HG2      ILE  81  31.250  31.019  31.019
  272   2HG2  ILE  81          1HG2      ILE  81  29.747  31.844  31.844
  273   3HG2  ILE  81          3HG2      ILE  81  30.277  31.636  31.636
  274   1HD1  ILE  81          3HD1      ILE  81  28.430  29.878  29.878
  275   2HD1  ILE  81          2HD1      ILE  81  28.546  31.543  31.543
  276   3HD1  ILE  81          1HD1      ILE  81  26.975  30.802  30.802
  277    H    GLY  82           H        GLY  82  30.071  26.881  26.881
  278   1HA   GLY  82          2HA       GLY  82  32.986  27.146  27.146
  279   2HA   GLY  82          1HA       GLY  82  32.128  25.718  25.718
  280   1HN   NH2  83          1HT       GLY  82  30.728  27.886  27.886
  281   2HN   NH2  83          2HT       GLY  82  31.817  27.967  27.967

  Start of MODEL   13
    1   1H    ACE  50          1HA       ACE  50  -2.167  -1.621  -1.621
    2   2H    ACE  50          2HA       ACE  50  -2.700  -1.336  -1.336
    3   3H    ACE  50          3HA       ACE  50  -2.829  -0.054  -0.054
    4    H    TYR  50           H        TYR  50  -0.128  -2.243  -2.243
    5    HA   TYR  50           HA       TYR  50   1.730   0.019   0.019
    6   1HB   TYR  50          2HB       TYR  50   2.159  -2.974  -2.974
    7   2HB   TYR  50          1HB       TYR  50   3.454  -1.798  -1.798
    8    HD1  TYR  50           HD2      TYR  50   0.837  -3.439  -3.439
    9    HD2  TYR  50           HD1      TYR  50   4.141  -0.743  -0.743
   10    HE1  TYR  50           HE2      TYR  50   0.904  -3.513  -3.513
   11    HE2  TYR  50           HE1      TYR  50   4.197  -0.826  -0.826
   12    HH   TYR  50           HH       TYR  50   3.491  -2.345  -2.345
   13    H    GLY  51           H        GLY  51   0.102   0.575   0.575
   14   1HA   GLY  51          2HA       GLY  51   1.626   1.191   1.191
   15   2HA   GLY  51          1HA       GLY  51   1.222  -0.480  -0.480
   16    H    ASP  52           H        ASP  52  -0.174   2.683   2.683
   17    HA   ASP  52           HA       ASP  52  -2.501   1.890   1.890
   18   1HB   ASP  52          2HB       ASP  52  -3.027   2.110   2.110
   19   2HB   ASP  52          1HB       ASP  52  -2.539   3.790   3.790
   20    H    THR  53           H        THR  53  -2.698   5.134   5.134
   21    HA   THR  53           HA       THR  53  -2.159   6.156   6.156
   22    HB   THR  53           HB       THR  53  -3.398   7.433   7.433
   23    HG1  THR  53           HG1      THR  53  -1.666   9.329   9.329
   24   1HG2  THR  53          3HG2      THR  53  -1.866   6.819   6.819
   25   2HG2  THR  53          2HG2      THR  53  -0.625   7.853   7.853
   26   3HG2  THR  53          1HG2      THR  53  -2.142   8.540   8.540
   27    H    TRP  54           H        TRP  54   0.055   5.533   5.533
   28    HA   TRP  54           HA       TRP  54   2.319   6.968   6.968
   29   1HB   TRP  54          2HB       TRP  54   1.885   5.010   5.010
   30   2HB   TRP  54          1HB       TRP  54   3.498   5.004   5.004
   31    HD1  TRP  54           HD1      TRP  54   1.305   7.135   7.135
   32    HE1  TRP  54           HE1      TRP  54   2.526   9.231   9.231
   33    HE3  TRP  54           HE3      TRP  54   5.176   6.729   6.729
   34    HZ2  TRP  54           HZ2      TRP  54   4.830  10.539  10.539
   35    HZ3  TRP  54           HZ3      TRP  54   6.940   8.481   8.481
   36    HH2  TRP  54           HH2      TRP  54   6.760  10.386  10.386
   37    H    ALA  55           H        ALA  55   1.091   3.733   3.733
   38    HA   ALA  55           HA       ALA  55   3.376   2.720   2.720
   39   1HB   ALA  55          1HB       ALA  55   1.638   1.262   1.262
   40   2HB   ALA  55          3HB       ALA  55   0.459   1.918   1.918
   41   3HB   ALA  55          2HB       ALA  55   1.812   0.957   0.957
   42    H    GLY  56           H        GLY  56   0.429   4.361   4.361
   43   1HA   GLY  56          2HA       GLY  56   0.881   4.135   4.135
   44   2HA   GLY  56          1HA       GLY  56  -0.341   5.146   5.146
   45    H    VAL  57           H        VAL  57   1.251   6.654   6.654
   46    HA   VAL  57           HA       VAL  57   2.286   8.581   8.581
   47    HB   VAL  57           HB       VAL  57   2.025   8.552   8.552
   48   1HG1  VAL  57          1HG1      VAL  57   2.614  10.924  10.924
   49   2HG1  VAL  57          3HG1      VAL  57   2.286  11.004  11.004
   50   3HG1  VAL  57          2HG1      VAL  57   3.737  10.214  10.214
   51   1HG2  VAL  57          3HG2      VAL  57  -0.138   8.418   8.418
   52   2HG2  VAL  57          2HG2      VAL  57   0.012   9.955   9.955
   53   3HG2  VAL  57          1HG2      VAL  57   0.295   9.842   9.842
   54    H    GLU  58           H        GLU  58   3.837   6.526   6.526
   55    HA   GLU  58           HA       GLU  58   6.362   7.924   7.924
   56   1HB   GLU  58          2HB       GLU  58   5.745   6.089   6.089
   57   2HB   GLU  58          1HB       GLU  58   5.905   4.910   4.910
   58   1HG   GLU  58          2HG       GLU  58   8.346   6.056   6.056
   59   2HG   GLU  58          1HG       GLU  58   7.978   6.499   6.499
   60    H    ALA  59           H        ALA  59   4.643   5.654   5.654
   61    HA   ALA  59           HA       ALA  59   6.684   4.801   4.801
   62   1HB   ALA  59          3HB       ALA  59   4.652   3.447   3.447
   63   2HB   ALA  59          2HB       ALA  59   3.641   4.710   4.710
   64   3HB   ALA  59          1HB       ALA  59   4.768   3.843   3.843
   65    H    ILE  60           H        ILE  60   4.241   7.366   7.366
   66    HA   ILE  60           HA       ILE  60   5.068   8.001   8.001
   67    HB   ILE  60           HB       ILE  60   3.548  10.039  10.039
   68   1HG1  ILE  60          2HG1      ILE  60   2.169   8.798   8.798
   69   2HG1  ILE  60          1HG1      ILE  60   3.661   9.621   9.621
   70   1HG2  ILE  60          1HG2      ILE  60   2.333   7.276   7.276
   71   2HG2  ILE  60          3HG2      ILE  60   1.460   8.668   8.668
   72   3HG2  ILE  60          2HG2      ILE  60   2.778   7.976   7.976
   73   1HD1  ILE  60          3HD1      ILE  60   1.362  10.874  10.874
   74   2HD1  ILE  60          2HD1      ILE  60   1.797  11.202  11.202
   75   3HD1  ILE  60          1HD1      ILE  60   2.888  11.668  11.668
   76    H    ILE  61           H        ILE  61   5.617   9.068   9.068
   77    HA   ILE  61           HA       ILE  61   6.953  11.394  11.394
   78    HB   ILE  61           HB       ILE  61   6.169  10.236  10.236
   79   1HG1  ILE  61          2HG1      ILE  61   7.060  12.974  12.974
   80   2HG1  ILE  61          1HG1      ILE  61   5.430  12.382  12.382
   81   1HG2  ILE  61          3HG2      ILE  61   9.056  11.145  11.145
   82   2HG2  ILE  61          2HG2      ILE  61   8.008  10.778  10.778
   83   3HG2  ILE  61          1HG2      ILE  61   8.445   9.513   9.513
   84   1HD1  ILE  61          3HD1      ILE  61   5.678  12.159  12.159
   85   2HD1  ILE  61          2HD1      ILE  61   7.315  12.793  12.793
   86   3HD1  ILE  61          1HD1      ILE  61   5.949  13.809  13.809
   87    H    ARG  62           H        ARG  62   7.895   8.074   8.074
   88    HA   ARG  62           HA       ARG  62  10.706   8.486   8.486
   89   1HB   ARG  62          2HB       ARG  62   9.032   6.136   6.136
   90   2HB   ARG  62          1HB       ARG  62  10.714   6.075   6.075
   91   1HG   ARG  62          2HG       ARG  62  11.368   6.554   6.554
   92   2HG   ARG  62          1HG       ARG  62   9.691   6.412   6.412
   93   1HD   ARG  62          2HD       ARG  62  10.739   4.260   4.260
   94   2HD   ARG  62          1HD       ARG  62   9.729   4.042   4.042
   95    HE   ARG  62           HE       ARG  62  11.849   4.363   4.363
   96   1HH1  ARG  62          1HH2      ARG  62  14.102   4.911   4.911
   97   2HH1  ARG  62          2HH2      ARG  62  14.746   3.559   3.559
   98   1HH2  ARG  62          2HH1      ARG  62  11.649   1.934   1.934
   99   2HH2  ARG  62          1HH1      ARG  62  13.321   1.801   1.801
  100    H    ILE  63           H        ILE  63   8.985   7.700   7.700
  101    HA   ILE  63           HA       ILE  63  11.326   8.194   8.194
  102    HB   ILE  63           HB       ILE  63   9.486   8.027   8.027
  103   1HG1  ILE  63          2HG1      ILE  63   7.552   6.560   6.560
  104   2HG1  ILE  63          1HG1      ILE  63   7.879   6.933   6.933
  105   1HG2  ILE  63          1HG2      ILE  63  11.167   6.303   6.303
  106   2HG2  ILE  63          3HG2      ILE  63  10.192   5.678   5.678
  107   3HG2  ILE  63          2HG2      ILE  63   9.618   5.558   5.558
  108   1HD1  ILE  63          3HD1      ILE  63   7.169   8.938   8.938
  109   2HD1  ILE  63          2HD1      ILE  63   6.108   8.359   8.359
  110   3HD1  ILE  63          1HD1      ILE  63   7.481   9.346   9.346
  111    H    LEU  64           H        LEU  64   8.669  10.287  10.287
  112    HA   LEU  64           HA       LEU  64   9.221  12.216  12.216
  113   1HB   LEU  64          2HB       LEU  64   7.019  12.020  12.020
  114   2HB   LEU  64          1HB       LEU  64   7.779  12.107  12.107
  115    HG   LEU  64           HG       LEU  64   8.437  14.348  14.348
  116   1HD1  LEU  64          3HD1      LEU  64   6.978  14.079  14.079
  117   2HD1  LEU  64          2HD1      LEU  64   7.587  15.596  15.596
  118   3HD1  LEU  64          1HD1      LEU  64   8.708  14.331  14.331
  119   1HD2  LEU  64          2HD2      LEU  64   5.477  13.845  13.845
  120   2HD2  LEU  64          1HD2      LEU  64   6.200  13.904  13.904
  121   3HD2  LEU  64          3HD2      LEU  64   6.122  15.360  15.360
  122    H    GLN  65           H        GLN  65  10.453  11.449  11.449
  123    HA   GLN  65           HA       GLN  65  11.991  13.978  13.978
  124   1HB   GLN  65          2HB       GLN  65  11.648  11.571  11.571
  125   2HB   GLN  65          1HB       GLN  65  13.041  12.600  12.600
  126   1HG   GLN  65          2HG       GLN  65  10.899  13.190  13.190
  127   2HG   GLN  65          1HG       GLN  65  11.718  14.511  14.511
  128   1HE2  GLN  65          2HE2      GLN  65   8.024  13.454  13.454
  129   2HE2  GLN  65          1HE2      GLN  65   8.878  12.332  12.332
  130    H    GLN  66           H        GLN  66  12.661  10.524  10.524
  131    HA   GLN  66           HA       GLN  66  15.406  10.687  10.687
  132   1HB   GLN  66          2HB       GLN  66  13.223   8.812   8.812
  133   2HB   GLN  66          1HB       GLN  66  14.898   8.436   8.436
  134   1HG   GLN  66          2HG       GLN  66  15.434   8.425   8.425
  135   2HG   GLN  66          1HG       GLN  66  13.794   8.891   8.891
  136   1HE2  GLN  66          2HE2      GLN  66  13.147   5.383   5.383
  137   2HE2  GLN  66          1HE2      GLN  66  13.111   6.875   6.875
  138    H    LEU  67           H        LEU  67  12.786  11.043  11.043
  139    HA   LEU  67           HA       LEU  67  14.757  11.289  11.289
  140   1HB   LEU  67          2HB       LEU  67  11.723  11.705  11.705
  141   2HB   LEU  67          1HB       LEU  67  12.685  11.580  11.580
  142    HG   LEU  67           HG       LEU  67  12.497   9.365   9.365
  143   1HD1  LEU  67          2HD1      LEU  67  10.325   9.702   9.702
  144   2HD1  LEU  67          1HD1      LEU  67  11.136   9.558   9.558
  145   3HD1  LEU  67          3HD1      LEU  67  11.057   8.179   8.179
  146   1HD2  LEU  67          3HD2      LEU  67  13.663   9.292   9.292
  147   2HD2  LEU  67          2HD2      LEU  67  14.595   9.251   9.251
  148   3HD2  LEU  67          1HD2      LEU  67  13.526   7.924   7.924
  149    H    LEU  68           H        LEU  68  12.788  13.445  13.445
  150    HA   LEU  68           HA       LEU  68  13.343  15.760  15.760
  151   1HB   LEU  68          2HB       LEU  68  11.526  15.831  15.831
  152   2HB   LEU  68          1HB       LEU  68  12.582  15.219  15.219
  153    HG   LEU  68           HG       LEU  68  13.879  17.187  17.187
  154   1HD1  LEU  68          2HD1      LEU  68  11.801  18.303  18.303
  155   2HD1  LEU  68          1HD1      LEU  68  13.050  19.279  19.279
  156   3HD1  LEU  68          3HD1      LEU  68  13.500  18.019  18.019
  157   1HD2  LEU  68          3HD2      LEU  68  11.989  17.046  17.046
  158   2HD2  LEU  68          2HD2      LEU  68  12.140  18.717  18.717
  159   3HD2  LEU  68          1HD2      LEU  68  10.884  17.695  17.695
  160    H    PHE  69           H        PHE  69  15.099  13.693  13.693
  161    HA   PHE  69           HA       PHE  69  17.069  15.599  15.599
  162   1HB   PHE  69          2HB       PHE  69  17.387  12.604  12.604
  163   2HB   PHE  69          1HB       PHE  69  18.626  13.575  13.575
  164    HD1  PHE  69           HD2      PHE  69  15.892  15.010  15.010
  165    HD2  PHE  69           HD1      PHE  69  17.858  11.226  11.226
  166    HE1  PHE  69           HE2      PHE  69  14.993  14.439  14.439
  167    HE2  PHE  69           HE1      PHE  69  16.942  10.662  10.662
  168    HZ   PHE  69           HZ       PHE  69  15.504  12.263  12.263
  169    H    ILE  70           H        ILE  70  16.599  13.839  13.839
  170    HA   ILE  70           HA       ILE  70  19.167  14.137  14.137
  171    HB   ILE  70           HB       ILE  70  16.358  14.189  14.189
  172   1HG1  ILE  70          2HG1      ILE  70  17.399  12.198  12.198
  173   2HG1  ILE  70          1HG1      ILE  70  18.813  12.390  12.390
  174   1HG2  ILE  70          2HG2      ILE  70  18.847  14.654  14.654
  175   2HG2  ILE  70          1HG2      ILE  70  17.235  14.319  14.319
  176   3HG2  ILE  70          3HG2      ILE  70  17.544  15.805  15.805
  177   1HD1  ILE  70          2HD1      ILE  70  17.415  11.987  11.987
  178   2HD1  ILE  70          1HD1      ILE  70  16.031  11.849  11.849
  179   3HD1  ILE  70          3HD1      ILE  70  17.315  10.657  10.657
  180    H    HIS  71           H        HIS  71  16.685  16.602  16.602
  181    HA   HIS  71           HA       HIS  71  17.892  18.642  18.642
  182   1HB   HIS  71          2HB       HIS  71  15.783  19.331  19.331
  183   2HB   HIS  71          1HB       HIS  71  15.892  18.489  18.489
  184    HD1  HIS  71           HD1      HIS  71  16.030  21.864  21.864
  185    HD2  HIS  71           HD2      HIS  71  17.683  19.707  19.707
  186    HE1  HIS  71           HE1      HIS  71  16.838  23.466  23.466
  187    H    PHE  72           H        PHE  72  18.505  17.654  17.654
  188    HA   PHE  72           HA       PHE  72  20.443  19.767  19.767
  189   1HB   PHE  72          2HB       PHE  72  19.104  18.632  18.632
  190   2HB   PHE  72          1HB       PHE  72  19.963  17.138  17.138
  191    HD1  PHE  72           HD2      PHE  72  20.502  20.699  20.699
  192    HD2  PHE  72           HD1      PHE  72  22.171  16.776  16.776
  193    HE1  PHE  72           HE2      PHE  72  22.386  21.444  21.444
  194    HE2  PHE  72           HE1      PHE  72  24.038  17.522  17.522
  195    HZ   PHE  72           HZ       PHE  72  24.161  19.859  19.859
  196    H    ARG  73           H        ARG  73  20.517  16.681  16.681
  197    HA   ARG  73           HA       ARG  73  23.447  16.471  16.471
  198   1HB   ARG  73          2HB       ARG  73  21.412  14.762  14.762
  199   2HB   ARG  73          1HB       ARG  73  23.049  14.275  14.275
  200   1HG   ARG  73          2HG       ARG  73  22.343  15.023  15.023
  201   2HG   ARG  73          1HG       ARG  73  20.759  15.022  15.022
  202   1HD   ARG  73          2HD       ARG  73  22.393  12.490  12.490
  203   2HD   ARG  73          1HD       ARG  73  21.331  12.827  12.827
  204    HE   ARG  73           HE       ARG  73  19.543  13.191  13.191
  205   1HH1  ARG  73          1HH2      ARG  73  21.322  12.259  12.259
  206   2HH1  ARG  73          2HH2      ARG  73  20.916  10.581  10.581
  207   1HH2  ARG  73          2HH1      ARG  73  19.367  10.519  10.519
  208   2HH2  ARG  73          1HH1      ARG  73  19.773   9.553   9.553
  209    H    ILE  74           H        ILE  74  21.086  17.609  17.609
  210    HA   ILE  74           HA       ILE  74  22.810  17.921  17.921
  211    HB   ILE  74           HB       ILE  74  19.932  18.440  18.440
  212   1HG1  ILE  74          2HG1      ILE  74  21.372  16.933  16.933
  213   2HG1  ILE  74          1HG1      ILE  74  20.498  16.278  16.278
  214   1HG2  ILE  74          2HG2      ILE  74  20.519  20.549  20.549
  215   2HG2  ILE  74          1HG2      ILE  74  21.130  19.655  19.655
  216   3HG2  ILE  74          3HG2      ILE  74  19.416  19.599  19.599
  217   1HD1  ILE  74          3HD1      ILE  74  18.357  17.234  17.234
  218   2HD1  ILE  74          2HD1      ILE  74  19.278  17.800  17.800
  219   3HD1  ILE  74          1HD1      ILE  74  19.130  16.085  16.085
  220    H    GLY  75           H        GLY  75  21.159  20.283  20.283
  221   1HA   GLY  75          2HA       GLY  75  22.269  22.658  22.658
  222   2HA   GLY  75          1HA       GLY  75  21.868  22.407  22.407
  223    H    CYS  76           H        CYS  76  23.715  20.326  20.326
  224    HA   CYS  76           HA       CYS  76  26.114  21.886  21.886
  225   1HB   CYS  76          2HB       CYS  76  25.494  18.932  18.932
  226   2HB   CYS  76          1HB       CYS  76  26.904  19.753  19.753
  227    HG   CYS  76           HG       CYS  76  25.541  20.808  20.808
  228    H    ARG  77           H        ARG  77  25.762  18.734  18.734
  229    HA   ARG  77           HA       ARG  77  28.272  18.667  18.667
  230   1HB   ARG  77          2HB       ARG  77  25.633  17.359  17.359
  231   2HB   ARG  77          1HB       ARG  77  26.827  17.319  17.319
  232   1HG   ARG  77          2HG       ARG  77  26.977  15.347  15.347
  233   2HG   ARG  77          1HG       ARG  77  28.453  16.292  16.292
  234   1HD   ARG  77          2HD       ARG  77  27.703  17.212  17.212
  235   2HD   ARG  77          1HD       ARG  77  26.299  16.150  16.150
  236    HE   ARG  77           HE       ARG  77  28.970  14.911  14.911
  237   1HH1  ARG  77          1HH2      ARG  77  26.359  13.540  13.540
  238   2HH1  ARG  77          2HH2      ARG  77  26.531  13.167  13.167
  239   1HH2  ARG  77          2HH1      ARG  77  29.194  15.444  15.444
  240   2HH2  ARG  77          1HH1      ARG  77  28.207  14.297  14.297
  241    H    HIS  78           H        HIS  78  25.302  19.867  19.867
  242    HA   HIS  78           HA       HIS  78  26.184  20.437  20.437
  243   1HB   HIS  78          2HB       HIS  78  23.821  20.802  20.802
  244   2HB   HIS  78          1HB       HIS  78  24.327  22.252  22.252
  245    HD1  HIS  78           HD1      HIS  78  24.963  24.322  24.322
  246    HD2  HIS  78           HD2      HIS  78  24.066  20.782  20.782
  247    HE1  HIS  78           HE1      HIS  78  24.700  24.810  24.810
  248    H    SER  79           H        SER  79  26.084  22.856  22.856
  249    HA   SER  79           HA       SER  79  28.735  23.809  23.809
  250   1HB   SER  79          2HB       SER  79  28.041  26.011  26.011
  251   2HB   SER  79          1HB       SER  79  27.667  24.608  24.608
  252    HG   SER  79           HG       SER  79  26.027  26.325  26.325
  253    H    ARG  80           H        ARG  80  27.318  23.137  23.137
  254    HA   ARG  80           HA       ARG  80  26.451  23.952  23.952
  255   1HB   ARG  80          2HB       ARG  80  29.077  23.910  23.910
  256   2HB   ARG  80          1HB       ARG  80  28.982  25.651  25.651
  257   1HG   ARG  80          2HG       ARG  80  27.891  23.796  23.796
  258   2HG   ARG  80          1HG       ARG  80  29.425  24.629  24.629
  259   1HD   ARG  80          2HD       ARG  80  26.686  25.963  25.963
  260   2HD   ARG  80          1HD       ARG  80  27.776  25.867  25.867
  261    HE   ARG  80           HE       ARG  80  28.258  27.441  27.441
  262   1HH1  ARG  80          2HH1      ARG  80  30.696  26.407  26.407
  263   2HH1  ARG  80          1HH1      ARG  80  31.073  27.758  27.758
  264   1HH2  ARG  80          1HH2      ARG  80  27.944  29.251  29.251
  265   2HH2  ARG  80          2HH2      ARG  80  29.453  29.436  29.436
  266    H    ILE  81           H        ILE  81  24.721  25.056  25.056
  267    HA   ILE  81           HA       ILE  81  24.925  28.026  28.026
  268    HB   ILE  81           HB       ILE  81  22.803  27.935  27.935
  269   1HG1  ILE  81          2HG1      ILE  81  22.071  25.688  25.688
  270   2HG1  ILE  81          1HG1      ILE  81  23.073  24.899  24.899
  271   1HG2  ILE  81          1HG2      ILE  81  25.016  27.850  27.850
  272   2HG2  ILE  81          3HG2      ILE  81  25.016  26.097  26.097
  273   3HG2  ILE  81          2HG2      ILE  81  23.862  26.883  26.883
  274   1HD1  ILE  81          1HD1      ILE  81  20.724  26.731  26.731
  275   2HD1  ILE  81          3HD1      ILE  81  20.685  24.979  24.979
  276   3HD1  ILE  81          2HD1      ILE  81  21.676  25.822  25.822
  277    H    GLY  82           H        GLY  82  22.303  28.771  28.771
  278   1HA   GLY  82          2HA       GLY  82  20.474  28.880  28.880
  279   2HA   GLY  82          1HA       GLY  82  21.426  27.933  27.933
  280   1HN   NH2  83          1HT       GLY  82  23.279  29.086  29.086
  281   2HN   NH2  83          2HT       GLY  82  23.198  30.785  30.785

  Start of MODEL   14
    1   1H    ACE  50          1HA       ACE  50  -4.559  -0.942  -0.942
    2   2H    ACE  50          2HA       ACE  50  -6.190  -1.568  -1.568
    3   3H    ACE  50          3HA       ACE  50  -5.876   0.153   0.153
    4    H    TYR  50           H        TYR  50  -6.232   0.492   0.492
    5    HA   TYR  50           HA       TYR  50  -5.526  -1.502  -1.502
    6   1HB   TYR  50          2HB       TYR  50  -6.483   1.388   1.388
    7   2HB   TYR  50          1HB       TYR  50  -6.423   0.155   0.155
    8    HD1  TYR  50           HD2      TYR  50  -7.688  -2.073  -2.073
    9    HD2  TYR  50           HD1      TYR  50  -8.500   1.581   1.581
   10    HE1  TYR  50           HE2      TYR  50  -9.892  -2.917  -2.917
   11    HE2  TYR  50           HE1      TYR  50 -10.708   0.719   0.719
   12    HH   TYR  50           HH       TYR  50 -11.570  -2.456  -2.456
   13    H    GLY  51           H        GLY  51  -4.169   1.463   1.463
   14   1HA   GLY  51          2HA       GLY  51  -2.064   2.486   2.486
   15   2HA   GLY  51          1HA       GLY  51  -1.496   0.894   0.894
   16    H    ASP  52           H        ASP  52  -3.480   1.021   1.021
   17    HA   ASP  52           HA       ASP  52  -1.882   1.382   1.382
   18   1HB   ASP  52          2HB       ASP  52  -3.883   1.947   1.947
   19   2HB   ASP  52          1HB       ASP  52  -4.273   0.725   0.725
   20    H    THR  53           H        THR  53  -3.506   4.181   4.181
   21    HA   THR  53           HA       THR  53  -2.612   6.097   6.097
   22    HB   THR  53           HB       THR  53  -3.274   6.599   6.599
   23    HG1  THR  53           HG1      THR  53  -4.708   5.553   5.553
   24   1HG2  THR  53          3HG2      THR  53  -2.675   8.612   8.612
   25   2HG2  THR  53          2HG2      THR  53  -3.997   8.131   8.131
   26   3HG2  THR  53          1HG2      THR  53  -4.325   8.628   8.628
   27    H    TRP  54           H        TRP  54  -0.961   4.685   4.685
   28    HA   TRP  54           HA       TRP  54   1.100   6.747   6.747
   29   1HB   TRP  54          2HB       TRP  54   0.892   5.545   5.545
   30   2HB   TRP  54          1HB       TRP  54   0.579   4.020   4.020
   31    HD1  TRP  54           HD1      TRP  54   2.454   2.362   2.362
   32    HE1  TRP  54           HE1      TRP  54   4.956   2.394   2.394
   33    HE3  TRP  54           HE3      TRP  54   3.175   7.318   7.318
   34    HZ2  TRP  54           HZ2      TRP  54   6.951   4.238   4.238
   35    HZ3  TRP  54           HZ3      TRP  54   5.483   8.209   8.209
   36    HH2  TRP  54           HH2      TRP  54   7.366   6.659   6.659
   37    H    ALA  55           H        ALA  55   1.209   3.390   3.390
   38    HA   ALA  55           HA       ALA  55   3.641   3.223   3.223
   39   1HB   ALA  55          3HB       ALA  55   1.087   1.643   1.643
   40   2HB   ALA  55          2HB       ALA  55   2.699   1.137   1.137
   41   3HB   ALA  55          1HB       ALA  55   2.288   1.252   1.252
   42    H    GLY  56           H        GLY  56   0.500   3.580   3.580
   43   1HA   GLY  56          2HA       GLY  56   1.274   3.827   3.827
   44   2HA   GLY  56          1HA       GLY  56  -0.155   4.599   4.599
   45    H    VAL  57           H        VAL  57   1.453   6.238   6.238
   46    HA   VAL  57           HA       VAL  57   2.306   8.256   8.256
   47    HB   VAL  57           HB       VAL  57   1.599   8.469   8.469
   48   1HG1  VAL  57          3HG1      VAL  57   2.058  10.761  10.761
   49   2HG1  VAL  57          2HG1      VAL  57   1.537  10.922  10.922
   50   3HG1  VAL  57          1HG1      VAL  57   3.140  10.328  10.328
   51   1HG2  VAL  57          3HG2      VAL  57  -0.354   7.971   7.971
   52   2HG2  VAL  57          2HG2      VAL  57  -0.480   9.577   9.577
   53   3HG2  VAL  57          1HG2      VAL  57   0.014   9.367   9.367
   54    H    GLU  58           H        GLU  58   3.700   6.369   6.369
   55    HA   GLU  58           HA       GLU  58   6.118   8.000   8.000
   56   1HB   GLU  58          2HB       GLU  58   5.278   6.138   6.138
   57   2HB   GLU  58          1HB       GLU  58   6.051   5.010   5.010
   58   1HG   GLU  58          2HG       GLU  58   7.407   7.328   7.328
   59   2HG   GLU  58          1HG       GLU  58   7.594   5.630   5.630
   60    H    ALA  59           H        ALA  59   4.753   5.493   5.493
   61    HA   ALA  59           HA       ALA  59   7.073   4.608   4.608
   62   1HB   ALA  59          3HB       ALA  59   4.125   4.425   4.425
   63   2HB   ALA  59          2HB       ALA  59   5.421   3.532   3.532
   64   3HB   ALA  59          1HB       ALA  59   5.037   3.222   3.222
   65    H    ILE  60           H        ILE  60   4.632   7.059   7.059
   66    HA   ILE  60           HA       ILE  60   5.771   7.602   7.602
   67    HB   ILE  60           HB       ILE  60   4.212   9.657   9.657
   68   1HG1  ILE  60          2HG1      ILE  60   2.699   8.529   8.529
   69   2HG1  ILE  60          1HG1      ILE  60   4.068   9.530   9.530
   70   1HG2  ILE  60          3HG2      ILE  60   3.500   7.549   7.549
   71   2HG2  ILE  60          2HG2      ILE  60   2.912   6.932   6.932
   72   3HG2  ILE  60          1HG2      ILE  60   2.132   8.311   8.311
   73   1HD1  ILE  60          3HD1      ILE  60   3.215  11.348  11.348
   74   2HD1  ILE  60          2HD1      ILE  60   1.794  10.362  10.362
   75   3HD1  ILE  60          1HD1      ILE  60   2.108  10.940  10.940
   76    H    ILE  61           H        ILE  61   5.711   8.856   8.856
   77    HA   ILE  61           HA       ILE  61   7.124  11.208  11.208
   78    HB   ILE  61           HB       ILE  61   6.687   9.235   9.235
   79   1HG1  ILE  61          2HG1      ILE  61   6.473  12.262  12.262
   80   2HG1  ILE  61          1HG1      ILE  61   5.174  11.161  11.161
   81   1HG2  ILE  61          3HG2      ILE  61   8.981  11.122  11.122
   82   2HG2  ILE  61          2HG2      ILE  61   8.170  10.171  10.171
   83   3HG2  ILE  61          1HG2      ILE  61   8.986   9.351   9.351
   84   1HD1  ILE  61          3HD1      ILE  61   5.290  10.145  10.145
   85   2HD1  ILE  61          2HD1      ILE  61   6.563  11.277  11.277
   86   3HD1  ILE  61          1HD1      ILE  61   4.966  11.869  11.869
   87    H    ARG  62           H        ARG  62   8.205   7.933   7.933
   88    HA   ARG  62           HA       ARG  62  11.019   8.130   8.130
   89   1HB   ARG  62          2HB       ARG  62   9.488   6.024   6.024
   90   2HB   ARG  62          1HB       ARG  62   9.524   6.081   6.081
   91   1HG   ARG  62          2HG       ARG  62  12.222   6.263   6.263
   92   2HG   ARG  62          1HG       ARG  62  11.680   5.385   5.385
   93   1HD   ARG  62          2HD       ARG  62  11.324   4.522   4.522
   94   2HD   ARG  62          1HD       ARG  62  12.256   3.724   3.724
   95    HE   ARG  62           HE       ARG  62   9.886   3.563   3.563
   96   1HH1  ARG  62          2HH1      ARG  62   8.152   4.266   4.266
   97   2HH1  ARG  62          1HH1      ARG  62   7.931   2.792   2.792
   98   1HH2  ARG  62          1HH2      ARG  62  10.763   1.274   1.274
   99   2HH2  ARG  62          2HH2      ARG  62   9.462   1.056   1.056
  100    H    ILE  63           H        ILE  63   8.884   8.436   8.436
  101    HA   ILE  63           HA       ILE  63  11.164   8.741   8.741
  102    HB   ILE  63           HB       ILE  63   8.281   9.058   9.058
  103   1HG1  ILE  63          2HG1      ILE  63   8.092   7.107   7.107
  104   2HG1  ILE  63          1HG1      ILE  63   8.179   6.493   6.493
  105   1HG2  ILE  63          1HG2      ILE  63  10.129   9.262   9.262
  106   2HG2  ILE  63          3HG2      ILE  63  10.708   7.662   7.662
  107   3HG2  ILE  63          2HG2      ILE  63   9.142   7.861   7.861
  108   1HD1  ILE  63          3HD1      ILE  63  10.646   5.986   5.986
  109   2HD1  ILE  63          2HD1      ILE  63  10.515   6.556   6.556
  110   3HD1  ILE  63          1HD1      ILE  63   9.614   5.162   5.162
  111    H    LEU  64           H        LEU  64   8.850  10.745  10.745
  112    HA   LEU  64           HA       LEU  64   9.293  13.019  13.019
  113   1HB   LEU  64          2HB       LEU  64   7.728  14.130  14.130
  114   2HB   LEU  64          1HB       LEU  64   7.347  12.488  12.488
  115    HG   LEU  64           HG       LEU  64   8.799  12.648  12.648
  116   1HD1  LEU  64          2HD1      LEU  64   8.709  15.637  15.637
  117   2HD1  LEU  64          1HD1      LEU  64   9.291  14.930  14.930
  118   3HD1  LEU  64          3HD1      LEU  64  10.189  14.720  14.720
  119   1HD2  LEU  64          2HD2      LEU  64   6.250  12.974  12.974
  120   2HD2  LEU  64          1HD2      LEU  64   7.047  13.961  13.961
  121   3HD2  LEU  64          3HD2      LEU  64   6.506  14.670  14.670
  122    H    GLN  65           H        GLN  65  10.832  11.666  11.666
  123    HA   GLN  65           HA       GLN  65  12.604  14.012  14.012
  124   1HB   GLN  65          2HB       GLN  65  13.271  13.005  13.005
  125   2HB   GLN  65          1HB       GLN  65  11.644  12.400  12.400
  126   1HG   GLN  65          2HG       GLN  65  12.884  10.289  10.289
  127   2HG   GLN  65          1HG       GLN  65  14.259  10.903  10.903
  128   1HE2  GLN  65          2HE2      GLN  65  10.853   9.554   9.554
  129   2HE2  GLN  65          1HE2      GLN  65  10.939  10.092  10.092
  130    H    GLN  66           H        GLN  66  12.778  10.564  10.564
  131    HA   GLN  66           HA       GLN  66  15.500  10.699  10.699
  132   1HB   GLN  66          2HB       GLN  66  13.074   9.151   9.151
  133   2HB   GLN  66          1HB       GLN  66  14.518   8.951   8.951
  134   1HG   GLN  66          2HG       GLN  66  15.750   8.220   8.220
  135   2HG   GLN  66          1HG       GLN  66  14.260   8.392   8.392
  136   1HE2  GLN  66          2HE2      GLN  66  12.814   5.453   5.453
  137   2HE2  GLN  66          1HE2      GLN  66  12.408   6.957   6.957
  138    H    LEU  67           H        LEU  67  12.637  11.766  11.766
  139    HA   LEU  67           HA       LEU  67  14.174  12.488  12.488
  140   1HB   LEU  67          2HB       LEU  67  11.308  13.140  13.140
  141   2HB   LEU  67          1HB       LEU  67  12.001  13.512  13.512
  142    HG   LEU  67           HG       LEU  67  11.884  10.708  10.708
  143   1HD1  LEU  67          1HD1      LEU  67  10.169  12.067  12.067
  144   2HD1  LEU  67          3HD1      LEU  67  10.033  10.377  10.377
  145   3HD1  LEU  67          2HD1      LEU  67   9.600  11.612  11.612
  146   1HD2  LEU  67          3HD2      LEU  67  12.560  11.633  11.633
  147   2HD2  LEU  67          2HD2      LEU  67  13.714  10.969  10.969
  148   3HD2  LEU  67          1HD2      LEU  67  12.443   9.960   9.960
  149    H    LEU  68           H        LEU  68  12.872  14.178  14.178
  150    HA   LEU  68           HA       LEU  68  13.503  16.778  16.778
  151   1HB   LEU  68          2HB       LEU  68  11.927  16.515  16.515
  152   2HB   LEU  68          1HB       LEU  68  13.085  15.532  15.532
  153    HG   LEU  68           HG       LEU  68  14.527  17.325  17.325
  154   1HD1  LEU  68          2HD1      LEU  68  12.434  19.075  19.075
  155   2HD1  LEU  68          1HD1      LEU  68  13.813  19.725  19.725
  156   3HD1  LEU  68          3HD1      LEU  68  14.069  18.769  18.769
  157   1HD2  LEU  68          3HD2      LEU  68  12.771  16.946  16.946
  158   2HD2  LEU  68          2HD2      LEU  68  13.062  18.674  18.674
  159   3HD2  LEU  68          1HD2      LEU  68  11.653  17.971  17.971
  160    H    PHE  69           H        PHE  69  15.343  14.060  14.060
  161    HA   PHE  69           HA       PHE  69  17.634  15.682  15.682
  162   1HB   PHE  69          2HB       PHE  69  17.439  12.749  12.749
  163   2HB   PHE  69          1HB       PHE  69  18.856  13.454  13.454
  164    HD1  PHE  69           HD2      PHE  69  16.559  15.095  15.095
  165    HD2  PHE  69           HD1      PHE  69  17.803  11.093  11.093
  166    HE1  PHE  69           HE2      PHE  69  15.740  14.409  14.409
  167    HE2  PHE  69           HE1      PHE  69  16.973  10.407  10.407
  168    HZ   PHE  69           HZ       PHE  69  15.940  12.065  12.065
  169    H    ILE  70           H        ILE  70  16.482  14.243  14.243
  170    HA   ILE  70           HA       ILE  70  18.834  14.295  14.295
  171    HB   ILE  70           HB       ILE  70  16.002  14.918  14.918
  172   1HG1  ILE  70          2HG1      ILE  70  15.915  12.959  12.959
  173   2HG1  ILE  70          1HG1      ILE  70  15.836  12.389  12.389
  174   1HG2  ILE  70          3HG2      ILE  70  18.356  13.579  13.579
  175   2HG2  ILE  70          2HG2      ILE  70  16.747  13.796  13.796
  176   3HG2  ILE  70          1HG2      ILE  70  17.745  15.192  15.192
  177   1HD1  ILE  70          1HD1      ILE  70  18.330  11.822  11.822
  178   2HD1  ILE  70          3HD1      ILE  70  18.198  12.348  12.348
  179   3HD1  ILE  70          2HD1      ILE  70  17.272  10.975  10.975
  180    H    HIS  71           H        HIS  71  16.675  17.115  17.115
  181    HA   HIS  71           HA       HIS  71  17.999  18.731  18.731
  182   1HB   HIS  71          2HB       HIS  71  16.834  20.548  20.548
  183   2HB   HIS  71          1HB       HIS  71  15.903  19.273  19.273
  184    HD1  HIS  71           HD1      HIS  71  17.129  22.316  22.316
  185    HD2  HIS  71           HD2      HIS  71  17.509  18.492  18.492
  186    HE1  HIS  71           HE1      HIS  71  17.714  22.486  22.486
  187    H    PHE  72           H        PHE  72  19.042  17.559  17.559
  188    HA   PHE  72           HA       PHE  72  21.270  19.467  19.467
  189   1HB   PHE  72          2HB       PHE  72  19.998  18.462  18.462
  190   2HB   PHE  72          1HB       PHE  72  20.821  16.954  16.954
  191    HD1  PHE  72           HD1      PHE  72  23.346  16.877  16.877
  192    HD2  PHE  72           HD2      PHE  72  21.159  20.246  20.246
  193    HE1  PHE  72           HE1      PHE  72  25.316  17.635  17.635
  194    HE2  PHE  72           HE2      PHE  72  23.146  21.007  21.007
  195    HZ   PHE  72           HZ       PHE  72  25.228  19.699  19.699
  196    H    ARG  73           H        ARG  73  20.647  16.489  16.489
  197    HA   ARG  73           HA       ARG  73  23.508  15.773  15.773
  198   1HB   ARG  73          2HB       ARG  73  21.012  14.447  14.447
  199   2HB   ARG  73          1HB       ARG  73  22.608  13.716  13.716
  200   1HG   ARG  73          2HG       ARG  73  22.389  14.455  14.455
  201   2HG   ARG  73          1HG       ARG  73  20.729  14.708  14.708
  202   1HD   ARG  73          2HD       ARG  73  20.482  12.358  12.358
  203   2HD   ARG  73          1HD       ARG  73  22.124  12.032  12.032
  204    HE   ARG  73           HE       ARG  73  20.382  13.211  13.211
  205   1HH1  ARG  73          1HH2      ARG  73  19.635  10.514  10.514
  206   2HH1  ARG  73          2HH2      ARG  73  20.116   9.366   9.366
  207   1HH2  ARG  73          2HH1      ARG  73  21.866  11.831  11.831
  208   2HH2  ARG  73          1HH1      ARG  73  21.410  10.162  10.162
  209    H    ILE  74           H        ILE  74  21.054  17.380  17.380
  210    HA   ILE  74           HA       ILE  74  22.300  17.420  17.420
  211    HB   ILE  74           HB       ILE  74  19.572  17.954  17.954
  212   1HG1  ILE  74          2HG1      ILE  74  18.812  16.627  16.627
  213   2HG1  ILE  74          1HG1      ILE  74  20.415  16.754  16.754
  214   1HG2  ILE  74          1HG2      ILE  74  20.356  19.174  19.174
  215   2HG2  ILE  74          3HG2      ILE  74  18.738  19.125  19.125
  216   3HG2  ILE  74          2HG2      ILE  74  19.965  20.106  20.106
  217   1HD1  ILE  74          1HD1      ILE  74  19.895  15.313  15.313
  218   2HD1  ILE  74          3HD1      ILE  74  20.035  14.538  14.538
  219   3HD1  ILE  74          2HD1      ILE  74  21.410  15.373  15.373
  220    H    GLY  75           H        GLY  75  21.016  19.931  19.931
  221   1HA   GLY  75          2HA       GLY  75  22.267  22.107  22.107
  222   2HA   GLY  75          1HA       GLY  75  21.755  22.133  22.133
  223    H    CYS  76           H        CYS  76  23.257  20.832  20.832
  224    HA   CYS  76           HA       CYS  76  25.785  22.085  22.085
  225   1HB   CYS  76          2HB       CYS  76  24.895  19.481  19.481
  226   2HB   CYS  76          1HB       CYS  76  26.356  20.328  20.328
  227    HG   CYS  76           HG       CYS  76  23.557  21.018  21.018
  228    H    ARG  77           H        ARG  77  24.872  19.465  19.465
  229    HA   ARG  77           HA       ARG  77  27.733  18.637  18.637
  230   1HB   ARG  77          2HB       ARG  77  25.833  16.976  16.976
  231   2HB   ARG  77          1HB       ARG  77  25.285  17.353  17.353
  232   1HG   ARG  77          2HG       ARG  77  27.247  16.450  16.450
  233   2HG   ARG  77          1HG       ARG  77  28.114  16.387  16.387
  234   1HD   ARG  77          2HD       ARG  77  25.588  14.749  14.749
  235   2HD   ARG  77          1HD       ARG  77  27.217  14.111  14.111
  236    HE   ARG  77           HE       ARG  77  25.885  14.815  14.815
  237   1HH1  ARG  77          1HH2      ARG  77  28.598  15.787  15.787
  238   2HH1  ARG  77          2HH2      ARG  77  29.525  14.415  14.415
  239   1HH2  ARG  77          2HH1      ARG  77  26.975  12.185  12.185
  240   2HH2  ARG  77          1HH1      ARG  77  28.556  12.275  12.275
  241    H    HIS  78           H        HIS  78  25.295  20.515  20.515
  242    HA   HIS  78           HA       HIS  78  25.950  20.188  20.188
  243   1HB   HIS  78          2HB       HIS  78  24.987  22.597  22.597
  244   2HB   HIS  78          1HB       HIS  78  25.328  22.779  22.779
  245    HD1  HIS  78           HD1      HIS  78  22.477  23.028  23.028
  246    HD2  HIS  78           HD2      HIS  78  24.053  19.646  19.646
  247    HE1  HIS  78           HE1      HIS  78  20.599  21.612  21.612
  248    H    SER  79           H        SER  79  27.151  23.036  23.036
  249    HA   SER  79           HA       SER  79  29.762  23.076  23.076
  250   1HB   SER  79          2HB       SER  79  29.878  22.450  22.450
  251   2HB   SER  79          1HB       SER  79  28.790  23.786  23.786
  252    HG   SER  79           HG       SER  79  31.418  23.861  23.861
  253    H    ARG  80           H        ARG  80  30.115  25.546  25.546
  254    HA   ARG  80           HA       ARG  80  28.431  27.229  27.229
  255   1HB   ARG  80          2HB       ARG  80  30.915  27.714  27.714
  256   2HB   ARG  80          1HB       ARG  80  29.988  29.109  29.109
  257   1HG   ARG  80          2HG       ARG  80  31.706  28.726  28.726
  258   2HG   ARG  80          1HG       ARG  80  30.162  28.369  28.369
  259   1HD   ARG  80          2HD       ARG  80  30.562  25.920  25.920
  260   2HD   ARG  80          1HD       ARG  80  32.120  26.283  26.283
  261    HE   ARG  80           HE       ARG  80  31.647  26.133  26.133
  262   1HH1  ARG  80          2HH1      ARG  80  31.903  28.740  28.740
  263   2HH1  ARG  80          1HH1      ARG  80  33.562  29.187  29.187
  264   1HH2  ARG  80          1HH2      ARG  80  34.246  26.367  26.367
  265   2HH2  ARG  80          2HH2      ARG  80  34.954  27.783  27.783
  266    H    ILE  81           H        ILE  81  26.674  26.290  26.290
  267    HA   ILE  81           HA       ILE  81  25.076  26.663  26.663
  268    HB   ILE  81           HB       ILE  81  25.617  29.552  29.552
  269   1HG1  ILE  81          2HG1      ILE  81  25.388  28.096  28.096
  270   2HG1  ILE  81          1HG1      ILE  81  24.058  29.211  29.211
  271   1HG2  ILE  81          2HG2      ILE  81  23.030  28.214  28.214
  272   2HG2  ILE  81          1HG2      ILE  81  23.163  29.868  29.868
  273   3HG2  ILE  81          3HG2      ILE  81  23.974  29.384  29.384
  274   1HD1  ILE  81          2HD1      ILE  81  23.949  26.269  26.269
  275   2HD1  ILE  81          1HD1      ILE  81  23.256  26.963  26.963
  276   3HD1  ILE  81          3HD1      ILE  81  22.611  27.405  27.405
  277    H    GLY  82           H        GLY  82  27.391  26.203  26.203
  278   1HA   GLY  82          2HA       GLY  82  27.269  28.032  28.032
  279   2HA   GLY  82          1HA       GLY  82  28.838  27.643  27.643
  280   1HN   NH2  83          1HT       GLY  82  29.731  25.534  25.534
  281   2HN   NH2  83          2HT       GLY  82  28.934  24.474  24.474

  Start of MODEL   15
    1   1H    ACE  50          1HA       ACE  50  -1.993  -4.898  -4.898
    2   2H    ACE  50          2HA       ACE  50  -1.996  -5.022  -5.022
    3   3H    ACE  50          3HA       ACE  50  -0.496  -4.645  -4.645
    4    H    TYR  50           H        TYR  50  -0.955  -2.901  -2.901
    5    HA   TYR  50           HA       TYR  50  -2.730  -0.730  -0.730
    6   1HB   TYR  50          2HB       TYR  50  -1.439   0.416   0.416
    7   2HB   TYR  50          1HB       TYR  50  -2.491  -0.935  -0.935
    8    HD1  TYR  50           HD2      TYR  50   1.075   0.033   0.033
    9    HD2  TYR  50           HD1      TYR  50  -1.595  -3.008  -3.008
   10    HE1  TYR  50           HE2      TYR  50   2.953  -1.205  -1.205
   11    HE2  TYR  50           HE1      TYR  50   0.285  -4.233  -4.233
   12    HH   TYR  50           HH       TYR  50   2.575  -4.379  -4.379
   13    H    GLY  51           H        GLY  51  -1.308  -1.088  -1.088
   14   1HA   GLY  51          2HA       GLY  51   0.678   1.166   1.166
   15   2HA   GLY  51          1HA       GLY  51   0.841  -0.312  -0.312
   16    H    ASP  52           H        ASP  52  -1.489   2.330   2.330
   17    HA   ASP  52           HA       ASP  52  -2.563   1.947   1.947
   18   1HB   ASP  52          2HB       ASP  52  -4.521   3.218   3.218
   19   2HB   ASP  52          1HB       ASP  52  -4.193   1.869   1.869
   20    H    THR  53           H        THR  53  -3.387   4.941   4.941
   21    HA   THR  53           HA       THR  53  -2.155   6.370   6.370
   22    HB   THR  53           HB       THR  53  -3.947   7.342   7.342
   23    HG1  THR  53           HG1      THR  53  -1.585   8.553   8.553
   24   1HG2  THR  53          1HG2      THR  53  -2.911   6.650   6.650
   25   2HG2  THR  53          3HG2      THR  53  -1.669   7.858   7.858
   26   3HG2  THR  53          2HG2      THR  53  -3.342   8.344   8.344
   27    H    TRP  54           H        TRP  54  -0.537   5.666   5.666
   28    HA   TRP  54           HA       TRP  54   1.626   7.515   7.515
   29   1HB   TRP  54          2HB       TRP  54   2.838   6.685   6.685
   30   2HB   TRP  54          1HB       TRP  54   1.172   6.755   6.755
   31    HD1  TRP  54           HD1      TRP  54   0.128   4.469   4.469
   32    HE1  TRP  54           HE1      TRP  54   0.991   2.145   2.145
   33    HE3  TRP  54           HE3      TRP  54   4.486   4.936   4.936
   34    HZ2  TRP  54           HZ2      TRP  54   3.170   0.677   0.677
   35    HZ3  TRP  54           HZ3      TRP  54   5.981   2.965   2.965
   36    HH2  TRP  54           HH2      TRP  54   5.322   0.832   0.832
   37    H    ALA  55           H        ALA  55   1.008   4.082   4.082
   38    HA   ALA  55           HA       ALA  55   3.632   3.449   3.449
   39   1HB   ALA  55          2HB       ALA  55   2.038   1.696   1.696
   40   2HB   ALA  55          1HB       ALA  55   0.981   2.016   2.016
   41   3HB   ALA  55          3HB       ALA  55   2.570   1.318   1.318
   42    H    GLY  56           H        GLY  56   0.667   4.398   4.398
   43   1HA   GLY  56          2HA       GLY  56   1.658   4.140   4.140
   44   2HA   GLY  56          1HA       GLY  56   0.197   5.001   5.001
   45    H    VAL  57           H        VAL  57   1.279   6.897   6.897
   46    HA   VAL  57           HA       VAL  57   2.349   8.761   8.761
   47    HB   VAL  57           HB       VAL  57   0.894   9.280   9.280
   48   1HG1  VAL  57          1HG1      VAL  57   2.557   8.288   8.288
   49   2HG1  VAL  57          3HG1      VAL  57   3.704   9.536   9.536
   50   3HG1  VAL  57          2HG1      VAL  57   2.209   9.969   9.969
   51   1HG2  VAL  57          3HG2      VAL  57   3.220  11.082  11.082
   52   2HG2  VAL  57          2HG2      VAL  57   1.640  11.035  11.035
   53   3HG2  VAL  57          1HG2      VAL  57   1.795  11.600  11.600
   54    H    GLU  58           H        GLU  58   3.720   6.788   6.788
   55    HA   GLU  58           HA       GLU  58   6.306   8.098   8.098
   56   1HB   GLU  58          2HB       GLU  58   5.450   6.728   6.728
   57   2HB   GLU  58          1HB       GLU  58   5.588   5.277   5.277
   58   1HG   GLU  58          2HG       GLU  58   7.480   5.517   5.517
   59   2HG   GLU  58          1HG       GLU  58   8.048   5.661   5.661
   60    H    ALA  59           H        ALA  59   4.622   5.854   5.854
   61    HA   ALA  59           HA       ALA  59   6.905   4.670   4.670
   62   1HB   ALA  59          2HB       ALA  59   4.846   3.333   3.333
   63   2HB   ALA  59          1HB       ALA  59   3.898   4.468   4.468
   64   3HB   ALA  59          3HB       ALA  59   5.110   3.477   3.477
   65    H    ILE  60           H        ILE  60   4.358   7.032   7.032
   66    HA   ILE  60           HA       ILE  60   5.313   7.420   7.420
   67    HB   ILE  60           HB       ILE  60   3.882   9.566   9.566
   68   1HG1  ILE  60          2HG1      ILE  60   2.427   8.551   8.551
   69   2HG1  ILE  60          1HG1      ILE  60   3.910   9.427   9.427
   70   1HG2  ILE  60          3HG2      ILE  60   2.516   6.901   6.901
   71   2HG2  ILE  60          2HG2      ILE  60   1.730   8.280   8.280
   72   3HG2  ILE  60          1HG2      ILE  60   3.031   7.455   7.455
   73   1HD1  ILE  60          3HD1      ILE  60   1.629  10.482  10.482
   74   2HD1  ILE  60          2HD1      ILE  60   2.032  11.009  11.009
   75   3HD1  ILE  60          1HD1      ILE  60   3.136  11.336  11.336
   76    H    ILE  61           H        ILE  61   5.711   8.730   8.730
   77    HA   ILE  61           HA       ILE  61   7.143  11.016  11.016
   78    HB   ILE  61           HB       ILE  61   6.920   9.279   9.279
   79   1HG1  ILE  61          2HG1      ILE  61   6.970  12.297  12.297
   80   2HG1  ILE  61          1HG1      ILE  61   5.526  11.296  11.296
   81   1HG2  ILE  61          2HG2      ILE  61   9.394  10.991  10.991
   82   2HG2  ILE  61          1HG2      ILE  61   8.745  10.204  10.204
   83   3HG2  ILE  61          3HG2      ILE  61   9.292   9.233   9.233
   84   1HD1  ILE  61          1HD1      ILE  61   6.095  10.535  10.535
   85   2HD1  ILE  61          3HD1      ILE  61   7.497  11.598  11.598
   86   3HD1  ILE  61          2HD1      ILE  61   5.893  12.280  12.280
   87    H    ARG  62           H        ARG  62   8.075   7.666   7.666
   88    HA   ARG  62           HA       ARG  62  10.887   8.044   8.044
   89   1HB   ARG  62          2HB       ARG  62   9.630   5.845   5.845
   90   2HB   ARG  62          1HB       ARG  62   9.392   5.720   5.720
   91   1HG   ARG  62          2HG       ARG  62  11.809   5.719   5.719
   92   2HG   ARG  62          1HG       ARG  62  12.130   6.090   6.090
   93   1HD   ARG  62          2HD       ARG  62  11.030   3.838   3.838
   94   2HD   ARG  62          1HD       ARG  62  11.019   3.506   3.506
   95    HE   ARG  62           HE       ARG  62  13.440   3.473   3.473
   96   1HH1  ARG  62          2HH1      ARG  62  13.459   5.559   5.559
   97   2HH1  ARG  62          1HH1      ARG  62  14.214   4.644   4.644
   98   1HH2  ARG  62          1HH2      ARG  62  13.719   1.590   1.590
   99   2HH2  ARG  62          2HH2      ARG  62  14.363   2.318   2.318
  100    H    ILE  63           H        ILE  63   8.583   8.415   8.415
  101    HA   ILE  63           HA       ILE  63  10.744   8.424   8.424
  102    HB   ILE  63           HB       ILE  63   7.875   9.124   9.124
  103   1HG1  ILE  63          2HG1      ILE  63   7.453   7.238   7.238
  104   2HG1  ILE  63          1HG1      ILE  63   7.163   6.721   6.721
  105   1HG2  ILE  63          3HG2      ILE  63   9.954   7.354   7.354
  106   2HG2  ILE  63          2HG2      ILE  63   8.383   7.765   7.765
  107   3HG2  ILE  63          1HG2      ILE  63   9.586   9.020   9.020
  108   1HD1  ILE  63          1HD1      ILE  63   9.697   6.129   6.129
  109   2HD1  ILE  63          3HD1      ILE  63   8.403   5.009   5.009
  110   3HD1  ILE  63          2HD1      ILE  63   9.409   5.609   5.609
  111    H    LEU  64           H        LEU  64   9.319  10.498  10.498
  112    HA   LEU  64           HA       LEU  64   9.734  12.846  12.846
  113   1HB   LEU  64          2HB       LEU  64   7.915  13.791  13.791
  114   2HB   LEU  64          1HB       LEU  64   7.624  12.162  12.162
  115    HG   LEU  64           HG       LEU  64   8.844  12.518  12.518
  116   1HD1  LEU  64          3HD1      LEU  64   8.817  15.455  15.455
  117   2HD1  LEU  64          2HD1      LEU  64   9.271  14.850  14.850
  118   3HD1  LEU  64          1HD1      LEU  64  10.293  14.555  14.555
  119   1HD2  LEU  64          2HD2      LEU  64   6.327  12.808  12.808
  120   2HD2  LEU  64          1HD2      LEU  64   6.984  13.926  13.926
  121   3HD2  LEU  64          3HD2      LEU  64   6.587  14.475  14.475
  122    H    GLN  65           H        GLN  65  10.662  11.562  11.562
  123    HA   GLN  65           HA       GLN  65  12.504  13.752  13.752
  124   1HB   GLN  65          2HB       GLN  65  13.324  12.340  12.340
  125   2HB   GLN  65          1HB       GLN  65  11.573  12.453  12.453
  126   1HG   GLN  65          2HG       GLN  65  12.155  10.191  10.191
  127   2HG   GLN  65          1HG       GLN  65  11.519  10.137  10.137
  128   1HE2  GLN  65          2HE2      GLN  65  14.386   8.547   8.547
  129   2HE2  GLN  65          1HE2      GLN  65  12.700   8.699   8.699
  130    H    GLN  66           H        GLN  66  12.531  10.767  10.767
  131    HA   GLN  66           HA       GLN  66  15.372  10.508  10.508
  132   1HB   GLN  66          2HB       GLN  66  12.904   9.325   9.325
  133   2HB   GLN  66          1HB       GLN  66  14.142   9.459   9.459
  134   1HG   GLN  66          2HG       GLN  66  15.586   8.345   8.345
  135   2HG   GLN  66          1HG       GLN  66  13.991   7.622   7.622
  136   1HE2  GLN  66          2HE2      GLN  66  14.071   6.131   6.131
  137   2HE2  GLN  66          1HE2      GLN  66  12.987   6.977   6.977
  138    H    LEU  67           H        LEU  67  12.914  11.576  11.576
  139    HA   LEU  67           HA       LEU  67  14.845  12.716  12.716
  140   1HB   LEU  67          2HB       LEU  67  11.890  13.512  13.512
  141   2HB   LEU  67          1HB       LEU  67  12.830  13.822  13.822
  142    HG   LEU  67           HG       LEU  67  12.212  11.026  11.026
  143   1HD1  LEU  67          3HD1      LEU  67  10.994  12.529  12.529
  144   2HD1  LEU  67          2HD1      LEU  67  10.644  10.861  10.861
  145   3HD1  LEU  67          1HD1      LEU  67  10.171  12.153  12.153
  146   1HD2  LEU  67          3HD2      LEU  67  13.435  11.927  11.927
  147   2HD2  LEU  67          2HD2      LEU  67  14.335  11.154  11.154
  148   3HD2  LEU  67          1HD2      LEU  67  13.089  10.265  10.265
  149    H    LEU  68           H        LEU  68  13.273  14.053  14.053
  150    HA   LEU  68           HA       LEU  68  14.061  16.755  16.755
  151   1HB   LEU  68          2HB       LEU  68  12.192  16.207  16.207
  152   2HB   LEU  68          1HB       LEU  68  13.244  15.192  15.192
  153    HG   LEU  68           HG       LEU  68  14.532  16.995  16.995
  154   1HD1  LEU  68          2HD1      LEU  68  12.615  18.801  18.801
  155   2HD1  LEU  68          1HD1      LEU  68  13.821  19.411  19.411
  156   3HD1  LEU  68          3HD1      LEU  68  14.330  18.579  18.579
  157   1HD2  LEU  68          3HD2      LEU  68  12.552  16.453  16.453
  158   2HD2  LEU  68          2HD2      LEU  68  12.789  18.187  18.187
  159   3HD2  LEU  68          1HD2      LEU  68  11.537  17.507  17.507
  160    H    PHE  69           H        PHE  69  15.700  13.884  13.884
  161    HA   PHE  69           HA       PHE  69  17.937  15.362  15.362
  162   1HB   PHE  69          2HB       PHE  69  17.659  13.316  13.316
  163   2HB   PHE  69          1HB       PHE  69  17.001  12.518  12.518
  164    HD1  PHE  69           HD1      PHE  69  20.349  13.909  13.909
  165    HD2  PHE  69           HD2      PHE  69  18.135  10.819  10.819
  166    HE1  PHE  69           HE1      PHE  69  22.398  12.646  12.646
  167    HE2  PHE  69           HE2      PHE  69  20.171   9.556   9.556
  168    HZ   PHE  69           HZ       PHE  69  22.344  10.462  10.462
  169    H    ILE  70           H        ILE  70  17.116  13.430  13.430
  170    HA   ILE  70           HA       ILE  70  19.617  13.687  13.687
  171    HB   ILE  70           HB       ILE  70  16.964  13.639  13.639
  172   1HG1  ILE  70          2HG1      ILE  70  16.642  11.797  11.797
  173   2HG1  ILE  70          1HG1      ILE  70  17.202  11.088  11.088
  174   1HG2  ILE  70          2HG2      ILE  70  19.038  13.869  13.869
  175   2HG2  ILE  70          1HG2      ILE  70  19.698  12.418  12.418
  176   3HG2  ILE  70          3HG2      ILE  70  18.281  12.323  12.323
  177   1HD1  ILE  70          3HD1      ILE  70  18.951  11.715  11.715
  178   2HD1  ILE  70          2HD1      ILE  70  18.337  10.129  10.129
  179   3HD1  ILE  70          1HD1      ILE  70  19.498  10.929  10.929
  180    H    HIS  71           H        HIS  71  16.899  15.948  15.948
  181    HA   HIS  71           HA       HIS  71  17.861  17.635  17.635
  182   1HB   HIS  71          2HB       HIS  71  16.291  19.178  19.178
  183   2HB   HIS  71          1HB       HIS  71  15.647  17.774  17.774
  184    HD1  HIS  71           HD1      HIS  71  15.303  20.843  20.843
  185    HD2  HIS  71           HD2      HIS  71  17.719  18.050  18.050
  186    HE1  HIS  71           HE1      HIS  71  15.695  21.566  21.566
  187    H    PHE  72           H        PHE  72  19.135  17.020  17.020
  188    HA   PHE  72           HA       PHE  72  20.839  19.410  19.410
  189   1HB   PHE  72          2HB       PHE  72  19.833  18.290  18.290
  190   2HB   PHE  72          1HB       PHE  72  20.876  16.920  16.920
  191    HD1  PHE  72           HD2      PHE  72  23.385  17.181  17.181
  192    HD2  PHE  72           HD1      PHE  72  20.728  20.322  20.322
  193    HE1  PHE  72           HE2      PHE  72  25.207  18.297  18.297
  194    HE2  PHE  72           HE1      PHE  72  22.560  21.443  21.443
  195    HZ   PHE  72           HZ       PHE  72  24.803  20.436  20.436
  196    H    ARG  73           H        ARG  73  20.951  16.248  16.248
  197    HA   ARG  73           HA       ARG  73  23.903  16.236  16.236
  198   1HB   ARG  73          2HB       ARG  73  21.678  14.243  14.243
  199   2HB   ARG  73          1HB       ARG  73  23.393  13.860  13.860
  200   1HG   ARG  73          2HG       ARG  73  23.281  15.083  15.083
  201   2HG   ARG  73          1HG       ARG  73  21.662  14.464  14.464
  202   1HD   ARG  73          2HD       ARG  73  24.215  12.805  12.805
  203   2HD   ARG  73          1HD       ARG  73  23.250  12.765  12.765
  204    HE   ARG  73           HE       ARG  73  21.444  11.704  11.704
  205   1HH1  ARG  73          1HH2      ARG  73  21.548  12.186  12.186
  206   2HH1  ARG  73          2HH2      ARG  73  22.588  11.008  11.008
  207   1HH2  ARG  73          2HH1      ARG  73  24.061  10.164  10.164
  208   2HH2  ARG  73          1HH1      ARG  73  24.052   9.822   9.822
  209    H    ILE  74           H        ILE  74  21.125  17.016  17.016
  210    HA   ILE  74           HA       ILE  74  22.254  17.011  17.011
  211    HB   ILE  74           HB       ILE  74  19.518  17.564  17.564
  212   1HG1  ILE  74          2HG1      ILE  74  20.489  15.602  15.602
  213   2HG1  ILE  74          1HG1      ILE  74  20.317  15.239  15.239
  214   1HG2  ILE  74          3HG2      ILE  74  20.329  17.987  17.987
  215   2HG2  ILE  74          2HG2      ILE  74  18.684  18.090  18.090
  216   3HG2  ILE  74          1HG2      ILE  74  19.873  19.270  19.270
  217   1HD1  ILE  74          3HD1      ILE  74  17.843  15.740  15.740
  218   2HD1  ILE  74          2HD1      ILE  74  18.043  16.111  16.111
  219   3HD1  ILE  74          1HD1      ILE  74  18.322  14.487  14.487
  220    H    GLY  75           H        GLY  75  20.718  19.504  19.504
  221   1HA   GLY  75          2HA       GLY  75  21.592  21.690  21.690
  222   2HA   GLY  75          1HA       GLY  75  21.015  21.824  21.824
  223    H    CYS  76           H        CYS  76  22.789  20.782  20.782
  224    HA   CYS  76           HA       CYS  76  24.906  22.657  22.657
  225   1HB   CYS  76          2HB       CYS  76  24.816  19.867  19.867
  226   2HB   CYS  76          1HB       CYS  76  25.805  21.187  21.187
  227    HG   CYS  76           HG       CYS  76  23.919  22.143  22.143
  228    H    ARG  77           H        ARG  77  24.711  19.530  19.530
  229    HA   ARG  77           HA       ARG  77  27.578  19.534  19.534
  230   1HB   ARG  77          2HB       ARG  77  25.832  17.537  17.537
  231   2HB   ARG  77          1HB       ARG  77  25.604  17.661  17.661
  232   1HG   ARG  77          2HG       ARG  77  27.284  15.976  15.976
  233   2HG   ARG  77          1HG       ARG  77  28.135  17.377  17.377
  234   1HD   ARG  77          2HD       ARG  77  27.817  17.012  17.012
  235   2HD   ARG  77          1HD       ARG  77  29.084  16.143  16.143
  236    HE   ARG  77           HE       ARG  77  29.621  18.625  18.625
  237   1HH1  ARG  77          2HH1      ARG  77  28.576  20.514  20.514
  238   2HH1  ARG  77          1HH1      ARG  77  29.433  20.471  20.471
  239   1HH2  ARG  77          1HH2      ARG  77  30.710  17.261  17.261
  240   2HH2  ARG  77          2HH2      ARG  77  30.653  18.562  18.562
  241    H    HIS  78           H        HIS  78  24.541  20.126  20.126
  242    HA   HIS  78           HA       HIS  78  25.518  20.360  20.360
  243   1HB   HIS  78          2HB       HIS  78  23.095  20.404  20.404
  244   2HB   HIS  78          1HB       HIS  78  23.212  21.821  21.821
  245    HD1  HIS  78           HD1      HIS  78  23.476  24.120  24.120
  246    HD2  HIS  78           HD2      HIS  78  23.458  20.826  20.826
  247    HE1  HIS  78           HE1      HIS  78  23.227  24.899  24.899
  248    H    SER  79           H        SER  79  25.260  22.670  22.670
  249    HA   SER  79           HA       SER  79  27.552  24.109  24.109
  250   1HB   SER  79          2HB       SER  79  26.709  26.172  26.172
  251   2HB   SER  79          1HB       SER  79  27.172  24.714  24.714
  252    HG   SER  79           HG       SER  79  25.249  24.308  24.308
  253    H    ARG  80           H        ARG  80  24.540  24.093  24.093
  254    HA   ARG  80           HA       ARG  80  24.148  26.791  26.791
  255   1HB   ARG  80          2HB       ARG  80  22.569  25.038  25.038
  256   2HB   ARG  80          1HB       ARG  80  23.786  24.319  24.319
  257   1HG   ARG  80          2HG       ARG  80  23.782  26.191  26.191
  258   2HG   ARG  80          1HG       ARG  80  22.892  27.200  27.200
  259   1HD   ARG  80          2HD       ARG  80  21.693  24.662  24.662
  260   2HD   ARG  80          1HD       ARG  80  21.526  26.239  26.239
  261    HE   ARG  80           HE       ARG  80  20.744  26.685  26.685
  262   1HH1  ARG  80          2HH1      ARG  80  19.717  24.143  24.143
  263   2HH1  ARG  80          1HH1      ARG  80  18.161  24.109  24.109
  264   1HH2  ARG  80          1HH2      ARG  80  18.879  26.910  26.910
  265   2HH2  ARG  80          2HH2      ARG  80  17.661  25.745  25.745
  266    H    ILE  81           H        ILE  81  26.503  24.606  24.606
  267    HA   ILE  81           HA       ILE  81  27.712  26.863  26.863
  268    HB   ILE  81           HB       ILE  81  28.771  25.105  25.105
  269   1HG1  ILE  81          2HG1      ILE  81  27.094  23.071  23.071
  270   2HG1  ILE  81          1HG1      ILE  81  28.828  23.217  23.217
  271   1HG2  ILE  81          2HG2      ILE  81  26.585  26.107  26.107
  272   2HG2  ILE  81          1HG2      ILE  81  25.731  24.868  24.868
  273   3HG2  ILE  81          3HG2      ILE  81  26.623  24.448  24.448
  274   1HD1  ILE  81          2HD1      ILE  81  27.340  22.529  22.529
  275   2HD1  ILE  81          1HD1      ILE  81  28.233  21.403  21.403
  276   3HD1  ILE  81          3HD1      ILE  81  29.083  22.685  22.685
  277    H    GLY  82           H        GLY  82  27.941  26.633  26.633
  278   1HA   GLY  82          2HA       GLY  82  29.662  26.989  26.989
  279   2HA   GLY  82          1HA       GLY  82  30.854  26.474  26.474
  280   1HN   NH2  83          1HT       GLY  82  30.383  24.000  24.000
  281   2HN   NH2  83          2HT       GLY  82  30.208  22.958  22.958

  Start of MODEL   16
    1   1H    ACE  50          1HA       ACE  50  -3.535  -2.409  -2.409
    2   2H    ACE  50          2HA       ACE  50  -5.117  -3.151  -3.151
    3   3H    ACE  50          3HA       ACE  50  -3.841  -3.415  -3.415
    4    H    TYR  50           H        TYR  50  -2.919  -1.206  -1.206
    5    HA   TYR  50           HA       TYR  50  -5.181   0.695   0.695
    6   1HB   TYR  50          2HB       TYR  50  -4.663  -0.930  -0.930
    7   2HB   TYR  50          1HB       TYR  50  -3.093  -0.149  -0.149
    8    HD1  TYR  50           HD2      TYR  50  -6.733   0.373   0.373
    9    HD2  TYR  50           HD1      TYR  50  -2.878   2.113   2.113
   10    HE1  TYR  50           HE2      TYR  50  -7.714   2.165   2.165
   11    HE2  TYR  50           HE1      TYR  50  -3.871   3.898   3.898
   12    HH   TYR  50           HH       TYR  50  -6.728   3.767   3.767
   13    H    GLY  51           H        GLY  51  -4.035   1.628   1.628
   14   1HA   GLY  51          2HA       GLY  51  -2.757   4.016   4.016
   15   2HA   GLY  51          1HA       GLY  51  -1.407   2.903   2.903
   16    H    ASP  52           H        ASP  52  -3.990   2.306   2.306
   17    HA   ASP  52           HA       ASP  52  -2.505   1.778   1.778
   18   1HB   ASP  52          2HB       ASP  52  -5.201   3.210   3.210
   19   2HB   ASP  52          1HB       ASP  52  -4.536   2.458   2.458
   20    H    THR  53           H        THR  53  -3.902   5.007   5.007
   21    HA   THR  53           HA       THR  53  -2.691   6.301   6.301
   22    HB   THR  53           HB       THR  53  -3.309   7.572   7.572
   23    HG1  THR  53           HG1      THR  53  -4.819   6.365   6.365
   24   1HG2  THR  53          3HG2      THR  53  -3.615   8.606   8.606
   25   2HG2  THR  53          2HG2      THR  53  -3.920   9.508   9.508
   26   3HG2  THR  53          1HG2      THR  53  -2.277   9.068   9.068
   27    H    TRP  54           H        TRP  54  -1.235   5.508   5.508
   28    HA   TRP  54           HA       TRP  54   0.996   7.314   7.314
   29   1HB   TRP  54          2HB       TRP  54   0.945   6.464   6.464
   30   2HB   TRP  54          1HB       TRP  54   0.373   4.879   4.879
   31    HD1  TRP  54           HD1      TRP  54   2.147   3.072   3.072
   32    HE1  TRP  54           HE1      TRP  54   4.669   2.900   2.900
   33    HE3  TRP  54           HE3      TRP  54   3.131   7.842   7.842
   34    HZ2  TRP  54           HZ2      TRP  54   6.786   4.566   4.566
   35    HZ3  TRP  54           HZ3      TRP  54   5.494   8.555   8.555
   36    HH2  TRP  54           HH2      TRP  54   7.314   6.903   6.903
   37    H    ALA  55           H        ALA  55   0.633   3.901   3.901
   38    HA   ALA  55           HA       ALA  55   3.090   3.359   3.359
   39   1HB   ALA  55          3HB       ALA  55   0.371   2.109   2.109
   40   2HB   ALA  55          2HB       ALA  55   1.925   1.381   1.381
   41   3HB   ALA  55          1HB       ALA  55   1.458   1.604   1.604
   42    H    GLY  56           H        GLY  56   0.037   4.251   4.251
   43   1HA   GLY  56          2HA       GLY  56   0.830   4.322   4.322
   44   2HA   GLY  56          1HA       GLY  56  -0.449   5.334   5.334
   45    H    VAL  57           H        VAL  57   1.223   6.750   6.750
   46    HA   VAL  57           HA       VAL  57   2.360   8.680   8.680
   47    HB   VAL  57           HB       VAL  57   2.047   8.674   8.674
   48   1HG1  VAL  57          2HG1      VAL  57   3.102  10.953  10.953
   49   2HG1  VAL  57          1HG1      VAL  57   2.737  11.083  11.083
   50   3HG1  VAL  57          3HG1      VAL  57   4.049  10.060  10.060
   51   1HG2  VAL  57          1HG2      VAL  57  -0.048   8.973   8.973
   52   2HG2  VAL  57          3HG2      VAL  57   0.339  10.432  10.432
   53   3HG2  VAL  57          2HG2      VAL  57   0.705  10.320  10.320
   54    H    GLU  58           H        GLU  58   3.817   6.429   6.429
   55    HA   GLU  58           HA       GLU  58   6.395   7.764   7.764
   56   1HB   GLU  58          2HB       GLU  58   5.846   5.906   5.906
   57   2HB   GLU  58          1HB       GLU  58   5.972   4.759   4.759
   58   1HG   GLU  58          2HG       GLU  58   8.322   5.672   5.672
   59   2HG   GLU  58          1HG       GLU  58   8.164   6.676   6.676
   60    H    ALA  59           H        ALA  59   4.552   5.633   5.633
   61    HA   ALA  59           HA       ALA  59   6.526   4.741   4.741
   62   1HB   ALA  59          1HB       ALA  59   4.370   3.567   3.567
   63   2HB   ALA  59          3HB       ALA  59   3.500   4.950   4.950
   64   3HB   ALA  59          2HB       ALA  59   4.555   4.014   4.014
   65    H    ILE  60           H        ILE  60   4.334   7.525   7.525
   66    HA   ILE  60           HA       ILE  60   5.193   8.252   8.252
   67    HB   ILE  60           HB       ILE  60   3.908  10.435  10.435
   68   1HG1  ILE  60          2HG1      ILE  60   2.334   9.129   9.129
   69   2HG1  ILE  60          1HG1      ILE  60   3.875   9.785   9.785
   70   1HG2  ILE  60          1HG2      ILE  60   2.435   7.784   7.784
   71   2HG2  ILE  60          3HG2      ILE  60   1.708   9.315   9.315
   72   3HG2  ILE  60          2HG2      ILE  60   2.981   8.617   8.617
   73   1HD1  ILE  60          3HD1      ILE  60   1.766  11.366  11.366
   74   2HD1  ILE  60          2HD1      ILE  60   2.149  11.495  11.495
   75   3HD1  ILE  60          1HD1      ILE  60   3.338  11.968  11.968
   76    H    ILE  61           H        ILE  61   5.710   9.157   9.157
   77    HA   ILE  61           HA       ILE  61   7.349  11.366  11.366
   78    HB   ILE  61           HB       ILE  61   6.459   9.929   9.929
   79   1HG1  ILE  61          2HG1      ILE  61   7.492  12.724  12.724
   80   2HG1  ILE  61          1HG1      ILE  61   5.831  12.211  12.211
   81   1HG2  ILE  61          2HG2      ILE  61   9.340  10.781  10.781
   82   2HG2  ILE  61          1HG2      ILE  61   8.282  10.281  10.281
   83   3HG2  ILE  61          3HG2      ILE  61   8.709   9.134   9.134
   84   1HD1  ILE  61          1HD1      ILE  61   5.795  11.594  11.594
   85   2HD1  ILE  61          3HD1      ILE  61   7.448  12.161  12.161
   86   3HD1  ILE  61          2HD1      ILE  61   6.177  13.290  13.290
   87    H    ARG  62           H        ARG  62   7.989   7.951   7.951
   88    HA   ARG  62           HA       ARG  62  10.848   8.167   8.167
   89   1HB   ARG  62          2HB       ARG  62   8.911   6.003   6.003
   90   2HB   ARG  62          1HB       ARG  62  10.554   5.769   5.769
   91   1HG   ARG  62          2HG       ARG  62  11.382   6.068   6.068
   92   2HG   ARG  62          1HG       ARG  62   9.746   6.288   6.288
   93   1HD   ARG  62          2HD       ARG  62   9.187   3.975   3.975
   94   2HD   ARG  62          1HD       ARG  62  10.869   3.780   3.780
   95    HE   ARG  62           HE       ARG  62   9.818   3.585   3.585
   96   1HH1  ARG  62          2HH1      ARG  62  11.809   5.621   5.621
   97   2HH1  ARG  62          1HH1      ARG  62  13.284   4.744   4.744
   98   1HH2  ARG  62          1HH2      ARG  62  11.946   1.841   1.841
   99   2HH2  ARG  62          2HH2      ARG  62  13.364   2.513   2.513
  100    H    ILE  63           H        ILE  63   8.912   7.642   7.642
  101    HA   ILE  63           HA       ILE  63  11.249   7.909   7.909
  102    HB   ILE  63           HB       ILE  63   9.386   8.053   8.053
  103   1HG1  ILE  63          2HG1      ILE  63   7.250   6.894   6.894
  104   2HG1  ILE  63          1HG1      ILE  63   7.664   7.122   7.122
  105   1HG2  ILE  63          1HG2      ILE  63  10.783   6.075   6.075
  106   2HG2  ILE  63          3HG2      ILE  63   9.730   5.593   5.593
  107   3HG2  ILE  63          2HG2      ILE  63   9.134   5.578   5.578
  108   1HD1  ILE  63          2HD1      ILE  63   7.204   9.345   9.345
  109   2HD1  ILE  63          1HD1      ILE  63   6.101   8.841   8.841
  110   3HD1  ILE  63          3HD1      ILE  63   7.604   9.582   9.582
  111    H    LEU  64           H        LEU  64   8.874  10.229  10.229
  112    HA   LEU  64           HA       LEU  64   9.573  12.229  12.229
  113   1HB   LEU  64          2HB       LEU  64   7.377  12.081  12.081
  114   2HB   LEU  64          1HB       LEU  64   8.202  12.087  12.087
  115    HG   LEU  64           HG       LEU  64   8.941  14.280  14.280
  116   1HD1  LEU  64          1HD1      LEU  64   7.410  14.208  14.208
  117   2HD1  LEU  64          3HD1      LEU  64   8.097  15.667  15.667
  118   3HD1  LEU  64          2HD1      LEU  64   9.154  14.376  14.376
  119   1HD2  LEU  64          2HD2      LEU  64   5.950  13.978  13.978
  120   2HD2  LEU  64          1HD2      LEU  64   6.731  13.960  13.960
  121   3HD2  LEU  64          3HD2      LEU  64   6.701  15.437  15.437
  122    H    GLN  65           H        GLN  65  10.858  11.113  11.113
  123    HA   GLN  65           HA       GLN  65  12.596  13.495  13.495
  124   1HB   GLN  65          2HB       GLN  65  12.148  10.962  10.962
  125   2HB   GLN  65          1HB       GLN  65  13.684  11.778  11.778
  126   1HG   GLN  65          2HG       GLN  65  12.136  12.608  12.608
  127   2HG   GLN  65          1HG       GLN  65  12.428  13.903  13.903
  128   1HE2  GLN  65          2HE2      GLN  65   9.018  13.622  13.622
  129   2HE2  GLN  65          1HE2      GLN  65  10.588  13.749  13.749
  130    H    GLN  66           H        GLN  66  12.929  10.029  10.029
  131    HA   GLN  66           HA       GLN  66  15.640  10.041  10.041
  132   1HB   GLN  66          2HB       GLN  66  13.218   8.449   8.449
  133   2HB   GLN  66          1HB       GLN  66  14.792   7.997   7.997
  134   1HG   GLN  66          2HG       GLN  66  15.602   7.555   7.555
  135   2HG   GLN  66          1HG       GLN  66  14.138   8.218   8.218
  136   1HE2  GLN  66          2HE2      GLN  66  12.393   5.183   5.183
  137   2HE2  GLN  66          1HE2      GLN  66  12.410   6.798   6.798
  138    H    LEU  67           H        LEU  67  12.957  10.902  10.902
  139    HA   LEU  67           HA       LEU  67  14.731  11.281  11.281
  140   1HB   LEU  67          2HB       LEU  67  11.781  11.935  11.935
  141   2HB   LEU  67          1HB       LEU  67  12.574  11.953  11.953
  142    HG   LEU  67           HG       LEU  67  12.427   9.479   9.479
  143   1HD1  LEU  67          3HD1      LEU  67  10.731  10.179  10.179
  144   2HD1  LEU  67          2HD1      LEU  67  10.670   8.658   8.658
  145   3HD1  LEU  67          1HD1      LEU  67  10.157  10.140  10.140
  146   1HD2  LEU  67          2HD2      LEU  67  13.220   9.741   9.741
  147   2HD2  LEU  67          1HD2      LEU  67  14.309   9.399   9.399
  148   3HD2  LEU  67          3HD2      LEU  67  13.080   8.237   8.237
  149    H    LEU  68           H        LEU  68  13.206  13.280  13.280
  150    HA   LEU  68           HA       LEU  68  13.869  15.753  15.753
  151   1HB   LEU  68          2HB       LEU  68  12.045  15.671  15.671
  152   2HB   LEU  68          1HB       LEU  68  13.108  14.919  14.919
  153    HG   LEU  68           HG       LEU  68  14.452  16.844  16.844
  154   1HD1  LEU  68          1HD1      LEU  68  12.374  18.185  18.185
  155   2HD1  LEU  68          3HD1      LEU  68  13.661  19.053  19.053
  156   3HD1  LEU  68          2HD1      LEU  68  14.060  17.885  17.885
  157   1HD2  LEU  68          3HD2      LEU  68  11.486  17.392  17.392
  158   2HD2  LEU  68          2HD2      LEU  68  12.614  16.624  16.624
  159   3HD2  LEU  68          1HD2      LEU  68  12.787  18.327  18.327
  160    H    PHE  69           H        PHE  69  15.540  13.238  13.238
  161    HA   PHE  69           HA       PHE  69  17.609  14.895  14.895
  162   1HB   PHE  69          2HB       PHE  69  17.705  11.995  11.995
  163   2HB   PHE  69          1HB       PHE  69  19.040  12.764  12.764
  164    HD1  PHE  69           HD1      PHE  69  16.511  14.173  14.173
  165    HD2  PHE  69           HD2      PHE  69  18.123  10.310  10.310
  166    HE1  PHE  69           HE1      PHE  69  15.651  13.357  13.357
  167    HE2  PHE  69           HE2      PHE  69  17.250   9.499   9.499
  168    HZ   PHE  69           HZ       PHE  69  16.009  11.017  11.017
  169    H    ILE  70           H        ILE  70  17.036  13.469  13.469
  170    HA   ILE  70           HA       ILE  70  19.551  13.810  13.810
  171    HB   ILE  70           HB       ILE  70  16.752  14.278  14.278
  172   1HG1  ILE  70          2HG1      ILE  70  18.279  11.649  11.649
  173   2HG1  ILE  70          1HG1      ILE  70  17.392  11.981  11.981
  174   1HG2  ILE  70          1HG2      ILE  70  18.622  14.957  14.957
  175   2HG2  ILE  70          3HG2      ILE  70  19.357  13.374  13.374
  176   3HG2  ILE  70          2HG2      ILE  70  17.796  13.542  13.542
  177   1HD1  ILE  70          2HD1      ILE  70  15.350  12.344  12.344
  178   2HD1  ILE  70          1HD1      ILE  70  16.263  11.894  11.894
  179   3HD1  ILE  70          3HD1      ILE  70  16.017  10.732  10.732
  180    H    HIS  71           H        HIS  71  17.041  16.238  16.238
  181    HA   HIS  71           HA       HIS  71  18.249  18.333  18.333
  182   1HB   HIS  71          2HB       HIS  71  16.119  19.012  19.012
  183   2HB   HIS  71          1HB       HIS  71  16.154  18.050  18.050
  184    HD1  HIS  71           HD1      HIS  71  16.031  21.481  21.481
  185    HD2  HIS  71           HD2      HIS  71  18.011  19.258  19.258
  186    HE1  HIS  71           HE1      HIS  71  16.722  23.004  23.004
  187    H    PHE  72           H        PHE  72  18.904  17.195  17.195
  188    HA   PHE  72           HA       PHE  72  20.740  19.412  19.412
  189   1HB   PHE  72          2HB       PHE  72  19.183  17.876  17.876
  190   2HB   PHE  72          1HB       PHE  72  20.600  16.859  16.859
  191    HD1  PHE  72           HD1      PHE  72  22.369  19.760  19.760
  192    HD2  PHE  72           HD2      PHE  72  19.495  17.913  17.913
  193    HE1  PHE  72           HE1      PHE  72  23.207  21.062  21.062
  194    HE2  PHE  72           HE2      PHE  72  20.347  19.225  19.225
  195    HZ   PHE  72           HZ       PHE  72  22.201  20.805  20.805
  196    H    ARG  73           H        ARG  73  20.914  16.535  16.535
  197    HA   ARG  73           HA       ARG  73  23.855  16.274  16.274
  198   1HB   ARG  73          2HB       ARG  73  21.765  14.446  14.446
  199   2HB   ARG  73          1HB       ARG  73  23.439  14.000  14.000
  200   1HG   ARG  73          2HG       ARG  73  22.995  14.822  14.822
  201   2HG   ARG  73          1HG       ARG  73  21.345  14.812  14.812
  202   1HD   ARG  73          2HD       ARG  73  22.967  12.296  12.296
  203   2HD   ARG  73          1HD       ARG  73  22.066  12.650  12.650
  204    HE   ARG  73           HE       ARG  73  20.088  12.995  12.995
  205   1HH1  ARG  73          1HH2      ARG  73  21.854  10.332  10.332
  206   2HH1  ARG  73          2HH2      ARG  73  21.314   9.288   9.288
  207   1HH2  ARG  73          2HH1      ARG  73  19.704  11.923  11.923
  208   2HH2  ARG  73          1HH1      ARG  73  20.042  10.231  10.231
  209    H    ILE  74           H        ILE  74  21.464  17.291  17.291
  210    HA   ILE  74           HA       ILE  74  23.269  17.463  17.463
  211    HB   ILE  74           HB       ILE  74  20.251  17.676  17.676
  212   1HG1  ILE  74          2HG1      ILE  74  22.108  15.964  15.964
  213   2HG1  ILE  74          1HG1      ILE  74  21.040  15.475  15.475
  214   1HG2  ILE  74          1HG2      ILE  74  20.819  19.629  19.629
  215   2HG2  ILE  74          3HG2      ILE  74  21.648  18.545  18.545
  216   3HG2  ILE  74          2HG2      ILE  74  19.907  18.432  18.432
  217   1HD1  ILE  74          3HD1      ILE  74  19.065  16.075  16.075
  218   2HD1  ILE  74          2HD1      ILE  74  20.193  16.456  16.456
  219   3HD1  ILE  74          1HD1      ILE  74  20.083  14.818  14.818
  220    H    GLY  75           H        GLY  75  21.321  19.553  19.553
  221   1HA   GLY  75          2HA       GLY  75  21.721  22.049  22.049
  222   2HA   GLY  75          1HA       GLY  75  21.706  21.762  21.762
  223    H    CYS  76           H        CYS  76  23.879  20.734  20.734
  224    HA   CYS  76           HA       CYS  76  25.880  22.731  22.731
  225   1HB   CYS  76          2HB       CYS  76  27.367  21.065  21.065
  226   2HB   CYS  76          1HB       CYS  76  25.815  21.185  21.185
  227    HG   CYS  76           HG       CYS  76  26.889  18.698  18.698
  228    H    ARG  77           H        ARG  77  25.304  20.015  20.015
  229    HA   ARG  77           HA       ARG  77  27.946  20.253  20.253
  230   1HB   ARG  77          2HB       ARG  77  25.587  18.418  18.418
  231   2HB   ARG  77          1HB       ARG  77  27.164  18.296  18.296
  232   1HG   ARG  77          2HG       ARG  77  28.104  18.094  18.094
  233   2HG   ARG  77          1HG       ARG  77  26.440  17.904  17.904
  234   1HD   ARG  77          2HD       ARG  77  27.389  15.677  15.677
  235   2HD   ARG  77          1HD       ARG  77  26.243  15.947  15.947
  236    HE   ARG  77           HE       ARG  77  29.205  16.328  16.328
  237   1HH1  ARG  77          1HH2      ARG  77  28.401  17.404  17.404
  238   2HH1  ARG  77          2HH2      ARG  77  27.979  16.121  16.121
  239   1HH2  ARG  77          2HH1      ARG  77  27.645  13.805  13.805
  240   2HH2  ARG  77          1HH1      ARG  77  27.498  14.006  14.006
  241    H    HIS  78           H        HIS  78  24.843  21.573  21.573
  242    HA   HIS  78           HA       HIS  78  24.898  21.860  21.860
  243   1HB   HIS  78          2HB       HIS  78  22.762  22.675  22.675
  244   2HB   HIS  78          1HB       HIS  78  22.947  22.204  22.204
  245    HD1  HIS  78           HD1      HIS  78  24.006  25.211  25.211
  246    HD2  HIS  78           HD2      HIS  78  22.175  24.214  24.214
  247    HE1  HIS  78           HE1      HIS  78  23.385  27.332  27.332
  248    H    SER  79           H        SER  79  26.502  23.498  23.498
  249    HA   SER  79           HA       SER  79  28.160  25.049  25.049
  250   1HB   SER  79          2HB       SER  79  26.126  26.443  26.443
  251   2HB   SER  79          1HB       SER  79  25.893  26.730  26.730
  252    HG   SER  79           HG       SER  79  27.416  28.165  28.165
  253    H    ARG  80           H        ARG  80  29.928  25.244  25.244
  254    HA   ARG  80           HA       ARG  80  29.702  26.508  26.508
  255   1HB   ARG  80          2HB       ARG  80  29.061  24.102  24.102
  256   2HB   ARG  80          1HB       ARG  80  30.617  23.579  23.579
  257   1HG   ARG  80          2HG       ARG  80  30.832  23.743  23.743
  258   2HG   ARG  80          1HG       ARG  80  31.714  25.102  25.102
  259   1HD   ARG  80          2HD       ARG  80  29.631  26.548  26.548
  260   2HD   ARG  80          1HD       ARG  80  28.916  25.174  25.174
  261    HE   ARG  80           HE       ARG  80  31.206  26.804  26.804
  262   1HH1  ARG  80          2HH1      ARG  80  32.103  24.300  24.300
  263   2HH1  ARG  80          1HH1      ARG  80  31.274  23.948  23.948
  264   1HH2  ARG  80          1HH2      ARG  80  28.770  26.328  26.328
  265   2HH2  ARG  80          2HH2      ARG  80  29.302  25.138  25.138
  266    H    ILE  81           H        ILE  81  31.214  27.958  27.958
  267    HA   ILE  81           HA       ILE  81  33.854  26.965  26.965
  268    HB   ILE  81           HB       ILE  81  32.705  29.828  29.828
  269   1HG1  ILE  81          2HG1      ILE  81  32.829  29.736  29.736
  270   2HG1  ILE  81          1HG1      ILE  81  33.137  28.020  28.020
  271   1HG2  ILE  81          2HG2      ILE  81  35.325  28.875  28.875
  272   2HG2  ILE  81          1HG2      ILE  81  34.690  30.506  30.506
  273   3HG2  ILE  81          3HG2      ILE  81  35.179  29.857  29.857
  274   1HD1  ILE  81          3HD1      ILE  81  30.620  29.419  29.419
  275   2HD1  ILE  81          2HD1      ILE  81  30.753  28.506  28.506
  276   3HD1  ILE  81          1HD1      ILE  81  30.897  27.685  27.685
  277    H    GLY  82           H        GLY  82  35.771  27.676  27.676
  278   1HA   GLY  82          2HA       GLY  82  35.786  29.210  29.210
  279   2HA   GLY  82          1HA       GLY  82  35.523  27.514  27.514
  280   1HN   NH2  83          1HT       GLY  82  37.979  28.510  28.510
  281   2HN   NH2  83          2HT       GLY  82  39.199  27.928  27.928

  Start of MODEL   17
    1   1H    ACE  50          1HA       ACE  50  -3.522  -3.964  -3.964
    2   2H    ACE  50          2HA       ACE  50  -3.551  -5.557  -5.557
    3   3H    ACE  50          3HA       ACE  50  -2.052  -4.934  -4.934
    4    H    TYR  50           H        TYR  50  -4.524  -3.845  -3.845
    5    HA   TYR  50           HA       TYR  50  -4.464  -2.995  -2.995
    6   1HB   TYR  50          2HB       TYR  50  -2.736  -4.927  -4.927
    7   2HB   TYR  50          1HB       TYR  50  -1.493  -3.712  -3.712
    8    HD1  TYR  50           HD1      TYR  50  -4.487  -4.537  -4.537
    9    HD2  TYR  50           HD2      TYR  50  -0.864  -2.311  -2.311
   10    HE1  TYR  50           HE1      TYR  50  -4.744  -3.918  -3.918
   11    HE2  TYR  50           HE2      TYR  50  -1.127  -1.694  -1.694
   12    HH   TYR  50           HH       TYR  50  -3.141  -3.226  -3.226
   13    H    GLY  51           H        GLY  51  -1.482  -2.208  -2.208
   14   1HA   GLY  51          2HA       GLY  51  -1.530   0.575   0.575
   15   2HA   GLY  51          1HA       GLY  51  -0.227  -0.155  -0.155
   16    H    ASP  52           H        ASP  52  -2.552   2.121   2.121
   17    HA   ASP  52           HA       ASP  52  -3.140   1.541   1.541
   18   1HB   ASP  52          2HB       ASP  52  -5.091   1.729   1.729
   19   2HB   ASP  52          1HB       ASP  52  -4.604   3.345   3.345
   20    H    THR  53           H        THR  53  -3.585   4.738   4.738
   21    HA   THR  53           HA       THR  53  -2.224   6.090   6.090
   22    HB   THR  53           HB       THR  53  -3.793   7.184   7.184
   23    HG1  THR  53           HG1      THR  53  -2.657   8.842   8.842
   24   1HG2  THR  53          3HG2      THR  53  -2.861   6.065   6.065
   25   2HG2  THR  53          2HG2      THR  53  -1.417   7.050   7.050
   26   3HG2  THR  53          1HG2      THR  53  -2.962   7.810   7.810
   27    H    TRP  54           H        TRP  54  -0.760   4.715   4.715
   28    HA   TRP  54           HA       TRP  54   1.707   6.136   6.136
   29   1HB   TRP  54          2HB       TRP  54   0.912   3.434   3.434
   30   2HB   TRP  54          1HB       TRP  54   2.623   3.812   3.812
   31    HD1  TRP  54           HD1      TRP  54  -0.316   4.587   4.587
   32    HE1  TRP  54           HE1      TRP  54   0.245   6.385   6.385
   33    HE3  TRP  54           HE3      TRP  54   4.044   6.021   6.021
   34    HZ2  TRP  54           HZ2      TRP  54   2.286   8.176   8.176
   35    HZ3  TRP  54           HZ3      TRP  54   5.339   7.846   7.846
   36    HH2  TRP  54           HH2      TRP  54   4.448   8.914   8.914
   37    H    ALA  55           H        ALA  55   0.857   3.046   3.046
   38    HA   ALA  55           HA       ALA  55   3.409   2.847   2.847
   39   1HB   ALA  55          3HB       ALA  55   0.740   1.531   1.531
   40   2HB   ALA  55          2HB       ALA  55   2.295   1.038   1.038
   41   3HB   ALA  55          1HB       ALA  55   1.985   0.876   0.876
   42    H    GLY  56           H        GLY  56   0.164   3.847   3.847
   43   1HA   GLY  56          2HA       GLY  56   0.494   4.413   4.413
   44   2HA   GLY  56          1HA       GLY  56  -0.671   5.228   5.228
   45    H    VAL  57           H        VAL  57   1.389   6.319   6.319
   46    HA   VAL  57           HA       VAL  57   2.258   8.537   8.537
   47    HB   VAL  57           HB       VAL  57   1.947   8.336   8.336
   48   1HG1  VAL  57          3HG1      VAL  57   2.588  10.780  10.780
   49   2HG1  VAL  57          2HG1      VAL  57   2.294  10.788  10.788
   50   3HG1  VAL  57          1HG1      VAL  57   3.718   9.998   9.998
   51   1HG2  VAL  57          2HG2      VAL  57  -0.197   8.314   8.314
   52   2HG2  VAL  57          1HG2      VAL  57  -0.022   9.803   9.803
   53   3HG2  VAL  57          3HG2      VAL  57   0.261   9.779   9.779
   54    H    GLU  58           H        GLU  58   3.621   6.416   6.416
   55    HA   GLU  58           HA       GLU  58   6.186   7.638   7.638
   56   1HB   GLU  58          2HB       GLU  58   5.233   4.809   4.809
   57   2HB   GLU  58          1HB       GLU  58   6.937   5.173   5.173
   58   1HG   GLU  58          2HG       GLU  58   4.810   6.737   6.737
   59   2HG   GLU  58          1HG       GLU  58   5.711   5.389   5.389
   60    H    ALA  59           H        ALA  59   4.462   5.498   5.498
   61    HA   ALA  59           HA       ALA  59   6.775   4.731   4.731
   62   1HB   ALA  59          3HB       ALA  59   4.790   3.335   3.335
   63   2HB   ALA  59          2HB       ALA  59   3.829   4.619   4.619
   64   3HB   ALA  59          1HB       ALA  59   5.112   3.830   3.830
   65    H    ILE  60           H        ILE  60   4.513   7.396   7.396
   66    HA   ILE  60           HA       ILE  60   5.451   8.090   8.090
   67    HB   ILE  60           HB       ILE  60   3.880  10.097  10.097
   68   1HG1  ILE  60          2HG1      ILE  60   2.368   8.755   8.755
   69   2HG1  ILE  60          1HG1      ILE  60   3.753   9.676   9.676
   70   1HG2  ILE  60          2HG2      ILE  60   2.677   7.308   7.308
   71   2HG2  ILE  60          1HG2      ILE  60   1.839   8.720   8.720
   72   3HG2  ILE  60          3HG2      ILE  60   3.234   8.087   8.087
   73   1HD1  ILE  60          3HD1      ILE  60   2.924  11.662  11.662
   74   2HD1  ILE  60          2HD1      ILE  60   1.497  10.744  10.744
   75   3HD1  ILE  60          1HD1      ILE  60   1.794  11.119  11.119
   76    H    ILE  61           H        ILE  61   5.616   9.177   9.177
   77    HA   ILE  61           HA       ILE  61   6.940  11.577  11.577
   78    HB   ILE  61           HB       ILE  61   5.524  10.548  10.548
   79   1HG1  ILE  61          2HG1      ILE  61   6.168  12.891  12.891
   80   2HG1  ILE  61          1HG1      ILE  61   5.963  12.357  12.357
   81   1HG2  ILE  61          3HG2      ILE  61   7.270   8.900   8.900
   82   2HG2  ILE  61          2HG2      ILE  61   8.402  10.177  10.177
   83   3HG2  ILE  61          1HG2      ILE  61   6.959  10.016  10.016
   84   1HD1  ILE  61          2HD1      ILE  61   8.680  12.656  12.656
   85   2HD1  ILE  61          1HD1      ILE  61   7.993  13.829  13.829
   86   3HD1  ILE  61          3HD1      ILE  61   8.428  12.233  12.233
   87    H    ARG  62           H        ARG  62   7.919   8.226   8.226
   88    HA   ARG  62           HA       ARG  62  10.701   8.952   8.952
   89   1HB   ARG  62          2HB       ARG  62   9.739   6.670   6.670
   90   2HB   ARG  62          1HB       ARG  62   9.636   6.354   6.354
   91   1HG   ARG  62          2HG       ARG  62  12.153   6.711   6.711
   92   2HG   ARG  62          1HG       ARG  62  12.181   6.988   6.988
   93   1HD   ARG  62          2HD       ARG  62  12.809   4.665   4.665
   94   2HD   ARG  62          1HD       ARG  62  11.220   4.668   4.668
   95    HE   ARG  62           HE       ARG  62  11.475   4.571   4.571
   96   1HH1  ARG  62          2HH1      ARG  62   8.946   4.120   4.120
   97   2HH1  ARG  62          1HH1      ARG  62   8.591   2.543   2.543
   98   1HH2  ARG  62          1HH2      ARG  62  11.695   2.227   2.227
   99   2HH2  ARG  62          2HH2      ARG  62  10.176   1.450   1.450
  100    H    ILE  63           H        ILE  63   9.153   7.897   7.897
  101    HA   ILE  63           HA       ILE  63  11.522   8.316   8.316
  102    HB   ILE  63           HB       ILE  63   9.870   7.962   7.962
  103   1HG1  ILE  63          2HG1      ILE  63   7.723   6.782   6.782
  104   2HG1  ILE  63          1HG1      ILE  63   7.925   7.357   7.357
  105   1HG2  ILE  63          1HG2      ILE  63  11.278   6.188   6.188
  106   2HG2  ILE  63          3HG2      ILE  63  10.074   5.911   5.911
  107   3HG2  ILE  63          2HG2      ILE  63   9.714   5.532   5.532
  108   1HD1  ILE  63          1HD1      ILE  63   7.560   9.115   9.115
  109   2HD1  ILE  63          3HD1      ILE  63   6.338   8.721   8.721
  110   3HD1  ILE  63          2HD1      ILE  63   7.699   9.684   9.684
  111    H    LEU  64           H        LEU  64   8.836  10.430  10.430
  112    HA   LEU  64           HA       LEU  64   9.404  12.333  12.333
  113   1HB   LEU  64          2HB       LEU  64   7.203  12.096  12.096
  114   2HB   LEU  64          1HB       LEU  64   7.934  12.251  12.251
  115    HG   LEU  64           HG       LEU  64   8.504  14.479  14.479
  116   1HD1  LEU  64          1HD1      LEU  64   7.205  14.144  14.144
  117   2HD1  LEU  64          3HD1      LEU  64   7.730  15.687  15.687
  118   3HD1  LEU  64          2HD1      LEU  64   8.913  14.453  14.453
  119   1HD2  LEU  64          3HD2      LEU  64   5.607  13.908  13.908
  120   2HD2  LEU  64          2HD2      LEU  64   6.230  14.019  14.019
  121   3HD2  LEU  64          1HD2      LEU  64   6.184  15.452  15.452
  122    H    GLN  65           H        GLN  65  10.474  11.710  11.710
  123    HA   GLN  65           HA       GLN  65  12.026  14.205  14.205
  124   1HB   GLN  65          2HB       GLN  65  11.735  11.712  11.712
  125   2HB   GLN  65          1HB       GLN  65  13.069  12.807  12.807
  126   1HG   GLN  65          2HG       GLN  65  10.731  13.203  13.203
  127   2HG   GLN  65          1HG       GLN  65  11.693  14.561  14.561
  128   1HE2  GLN  65          2HE2      GLN  65   8.165  13.877  13.877
  129   2HE2  GLN  65          1HE2      GLN  65   8.850  12.578  12.578
  130    H    GLN  66           H        GLN  66  12.652  10.795  10.795
  131    HA   GLN  66           HA       GLN  66  15.431  10.891  10.891
  132   1HB   GLN  66          2HB       GLN  66  15.073   8.694   8.694
  133   2HB   GLN  66          1HB       GLN  66  13.374   8.987   8.987
  134   1HG   GLN  66          2HG       GLN  66  13.239   9.345   9.345
  135   2HG   GLN  66          1HG       GLN  66  14.952   8.950   8.950
  136   1HE2  GLN  66          2HE2      GLN  66  13.390   5.810   5.810
  137   2HE2  GLN  66          1HE2      GLN  66  13.778   7.238   7.238
  138    H    LEU  67           H        LEU  67  12.855  11.371  11.371
  139    HA   LEU  67           HA       LEU  67  14.706  11.838  11.838
  140   1HB   LEU  67          2HB       LEU  67  12.720  12.145  12.145
  141   2HB   LEU  67          1HB       LEU  67  12.372  10.878  10.878
  142    HG   LEU  67           HG       LEU  67  11.321  12.704  12.704
  143   1HD1  LEU  67          3HD1      LEU  67  12.040  14.731  14.731
  144   2HD1  LEU  67          2HD1      LEU  67  11.125  14.058  14.058
  145   3HD1  LEU  67          1HD1      LEU  67  10.306  14.602  14.602
  146   1HD2  LEU  67          3HD2      LEU  67  10.021  11.791  11.791
  147   2HD2  LEU  67          2HD2      LEU  67  10.036  10.893  10.893
  148   3HD2  LEU  67          1HD2      LEU  67   9.134  12.392  12.392
  149    H    LEU  68           H        LEU  68  12.861  13.814  13.814
  150    HA   LEU  68           HA       LEU  68  13.600  16.301  16.301
  151   1HB   LEU  68          2HB       LEU  68  12.745  15.649  15.649
  152   2HB   LEU  68          1HB       LEU  68  13.173  17.284  17.284
  153    HG   LEU  68           HG       LEU  68  11.022  15.690  15.690
  154   1HD1  LEU  68          2HD1      LEU  68  10.686  17.749  17.749
  155   2HD1  LEU  68          1HD1      LEU  68   9.385  17.024  17.024
  156   3HD1  LEU  68          3HD1      LEU  68  10.364  16.034  16.034
  157   1HD2  LEU  68          2HD2      LEU  68  11.650  18.695  18.695
  158   2HD2  LEU  68          1HD2      LEU  68  12.011  17.647  17.647
  159   3HD2  LEU  68          3HD2      LEU  68  10.349  17.953  17.953
  160    H    PHE  69           H        PHE  69  15.297  13.945  13.945
  161    HA   PHE  69           HA       PHE  69  17.305  15.835  15.835
  162   1HB   PHE  69          2HB       PHE  69  17.464  12.825  12.825
  163   2HB   PHE  69          1HB       PHE  69  18.717  13.720  13.720
  164    HD1  PHE  69           HD1      PHE  69  16.095  15.342  15.342
  165    HD2  PHE  69           HD2      PHE  69  17.671  11.385  11.385
  166    HE1  PHE  69           HE1      PHE  69  15.039  14.805  14.805
  167    HE2  PHE  69           HE2      PHE  69  16.604  10.850  10.850
  168    HZ   PHE  69           HZ       PHE  69  15.282  12.554  12.554
  169    H    ILE  70           H        ILE  70  16.764  13.903  13.903
  170    HA   ILE  70           HA       ILE  70  19.294  14.071  14.071
  171    HB   ILE  70           HB       ILE  70  16.582  14.189  14.189
  172   1HG1  ILE  70          2HG1      ILE  70  16.462  12.434  12.434
  173   2HG1  ILE  70          1HG1      ILE  70  16.694  11.644  11.644
  174   1HG2  ILE  70          1HG2      ILE  70  19.243  12.987  12.987
  175   2HG2  ILE  70          3HG2      ILE  70  17.726  12.886  12.886
  176   3HG2  ILE  70          2HG2      ILE  70  18.485  14.441  14.441
  177   1HD1  ILE  70          2HD1      ILE  70  19.165  11.429  11.429
  178   2HD1  ILE  70          1HD1      ILE  70  18.691  12.131  12.131
  179   3HD1  ILE  70          3HD1      ILE  70  18.029  10.598  10.598
  180    H    HIS  71           H        HIS  71  16.680  16.526  16.526
  181    HA   HIS  71           HA       HIS  71  17.978  18.171  18.171
  182   1HB   HIS  71          2HB       HIS  71  16.276  19.663  19.663
  183   2HB   HIS  71          1HB       HIS  71  15.653  18.470  18.470
  184    HD1  HIS  71           HD1      HIS  71  16.560  21.921  21.921
  185    HD2  HIS  71           HD2      HIS  71  17.008  18.698  18.698
  186    HE1  HIS  71           HE1      HIS  71  16.974  22.789  22.789
  187    H    PHE  72           H        PHE  72  18.681  17.666  17.666
  188    HA   PHE  72           HA       PHE  72  20.513  19.918  19.918
  189   1HB   PHE  72          2HB       PHE  72  19.158  18.705  18.705
  190   2HB   PHE  72          1HB       PHE  72  20.319  17.402  17.402
  191    HD1  PHE  72           HD1      PHE  72  19.836  20.872  20.872
  192    HD2  PHE  72           HD2      PHE  72  22.644  17.683  17.683
  193    HE1  PHE  72           HE1      PHE  72  21.380  22.067  22.067
  194    HE2  PHE  72           HE2      PHE  72  24.176  18.875  18.875
  195    HZ   PHE  72           HZ       PHE  72  23.551  21.072  21.072
  196    H    ARG  73           H        ARG  73  20.720  16.711  16.711
  197    HA   ARG  73           HA       ARG  73  23.668  16.666  16.666
  198   1HB   ARG  73          2HB       ARG  73  21.534  14.737  14.737
  199   2HB   ARG  73          1HB       ARG  73  23.213  14.279  14.279
  200   1HG   ARG  73          2HG       ARG  73  22.801  15.409  15.409
  201   2HG   ARG  73          1HG       ARG  73  21.140  15.153  15.153
  202   1HD   ARG  73          2HD       ARG  73  23.216  12.922  12.922
  203   2HD   ARG  73          1HD       ARG  73  22.002  13.230  13.230
  204    HE   ARG  73           HE       ARG  73  20.454  12.941  12.941
  205   1HH1  ARG  73          1HH2      ARG  73  22.985  11.414  11.414
  206   2HH1  ARG  73          2HH2      ARG  73  22.542   9.783   9.783
  207   1HH2  ARG  73          2HH1      ARG  73  19.830  10.835  10.835
  208   2HH2  ARG  73          1HH1      ARG  73  20.664   9.443   9.443
  209    H    ILE  74           H        ILE  74  21.135  16.977  16.977
  210    HA   ILE  74           HA       ILE  74  22.735  17.119  17.119
  211    HB   ILE  74           HB       ILE  74  19.868  17.598  17.598
  212   1HG1  ILE  74          2HG1      ILE  74  19.342  16.070  16.070
  213   2HG1  ILE  74          1HG1      ILE  74  20.907  16.287  16.287
  214   1HG2  ILE  74          1HG2      ILE  74  20.871  18.771  18.771
  215   2HG2  ILE  74          3HG2      ILE  74  19.193  18.637  18.637
  216   3HG2  ILE  74          2HG2      ILE  74  20.280  19.692  19.692
  217   1HD1  ILE  74          2HD1      ILE  74  20.490  14.975  14.975
  218   2HD1  ILE  74          1HD1      ILE  74  20.755  14.113  14.113
  219   3HD1  ILE  74          3HD1      ILE  74  22.018  15.116  15.116
  220    H    GLY  75           H        GLY  75  21.311  19.645  19.645
  221   1HA   GLY  75          2HA       GLY  75  22.336  21.902  21.902
  222   2HA   GLY  75          1HA       GLY  75  22.123  21.832  21.832
  223    H    CYS  76           H        CYS  76  23.901  20.029  20.029
  224    HA   CYS  76           HA       CYS  76  26.354  21.347  21.347
  225   1HB   CYS  76          2HB       CYS  76  25.681  19.391  19.391
  226   2HB   CYS  76          1HB       CYS  76  25.885  18.340  18.340
  227    HG   CYS  76           HG       CYS  76  28.155  19.432  19.432
  228    H    ARG  77           H        ARG  77  25.774  18.589  18.589
  229    HA   ARG  77           HA       ARG  77  28.209  18.691  18.691
  230   1HB   ARG  77          2HB       ARG  77  25.495  17.506  17.506
  231   2HB   ARG  77          1HB       ARG  77  26.435  17.690  17.690
  232   1HG   ARG  77          2HG       ARG  77  26.847  15.487  15.487
  233   2HG   ARG  77          1HG       ARG  77  28.312  16.438  16.438
  234   1HD   ARG  77          2HD       ARG  77  27.837  17.048  17.048
  235   2HD   ARG  77          1HD       ARG  77  26.532  15.872  15.872
  236    HE   ARG  77           HE       ARG  77  29.395  15.191  15.191
  237   1HH1  ARG  77          2HH1      ARG  77  26.358  13.911  13.911
  238   2HH1  ARG  77          1HH1      ARG  77  26.720  12.598  12.598
  239   1HH2  ARG  77          1HH2      ARG  77  29.976  13.827  13.827
  240   2HH2  ARG  77          2HH2      ARG  77  28.877  12.552  12.552
  241    H    HIS  78           H        HIS  78  25.255  20.532  20.532
  242    HA   HIS  78           HA       HIS  78  26.489  21.679  21.679
  243   1HB   HIS  78          2HB       HIS  78  23.893  22.393  22.393
  244   2HB   HIS  78          1HB       HIS  78  24.430  23.133  23.133
  245    HD1  HIS  78           HD1      HIS  78  23.058  22.084  22.084
  246    HD2  HIS  78           HD2      HIS  78  24.307  19.350  19.350
  247    HE1  HIS  78           HE1      HIS  78  22.325  19.794  19.794
  248    H    SER  79           H        SER  79  26.581  22.193  22.193
  249    HA   SER  79           HA       SER  79  27.072  25.080  25.080
  250   1HB   SER  79          2HB       SER  79  25.727  24.096  24.096
  251   2HB   SER  79          1HB       SER  79  27.107  23.120  23.120
  252    HG   SER  79           HG       SER  79  28.022  25.589  25.589
  253    H    ARG  80           H        ARG  80  29.076  22.187  22.187
  254    HA   ARG  80           HA       ARG  80  31.443  24.016  24.016
  255   1HB   ARG  80          2HB       ARG  80  31.018  22.228  22.228
  256   2HB   ARG  80          1HB       ARG  80  31.375  21.015  21.015
  257   1HG   ARG  80          2HG       ARG  80  33.623  22.429  22.429
  258   2HG   ARG  80          1HG       ARG  80  33.213  23.124  23.124
  259   1HD   ARG  80          2HD       ARG  80  33.602  20.145  20.145
  260   2HD   ARG  80          1HD       ARG  80  34.773  21.212  21.212
  261    HE   ARG  80           HE       ARG  80  33.353  21.374  21.374
  262   1HH1  ARG  80          2HH1      ARG  80  30.727  21.317  21.317
  263   2HH1  ARG  80          1HH1      ARG  80  30.179  19.677  19.677
  264   1HH2  ARG  80          1HH2      ARG  80  33.393  18.419  18.419
  265   2HH2  ARG  80          2HH2      ARG  80  31.752  17.967  17.967
  266    H    ILE  81           H        ILE  81  30.694  24.115  24.115
  267    HA   ILE  81           HA       ILE  81  32.703  22.438  22.438
  268    HB   ILE  81           HB       ILE  81  31.023  22.051  22.051
  269   1HG1  ILE  81          2HG1      ILE  81  28.948  22.929  22.929
  270   2HG1  ILE  81          1HG1      ILE  81  29.484  23.982  23.982
  271   1HG2  ILE  81          3HG2      ILE  81  31.523  20.283  20.283
  272   2HG2  ILE  81          2HG2      ILE  81  30.274  20.915  20.915
  273   3HG2  ILE  81          1HG2      ILE  81  29.843  20.194  20.194
  274   1HD1  ILE  81          1HD1      ILE  81  28.740  22.281  22.281
  275   2HD1  ILE  81          3HD1      ILE  81  28.169  21.254  21.254
  276   3HD1  ILE  81          2HD1      ILE  81  27.417  22.812  22.812
  277    H    GLY  82           H        GLY  82  32.892  23.161  23.161
  278   1HA   GLY  82          2HA       GLY  82  32.233  25.784  25.784
  279   2HA   GLY  82          1HA       GLY  82  33.869  25.777  25.777
  280   1HN   NH2  83          1HT       GLY  82  34.483  26.091  26.091
  281   2HN   NH2  83          2HT       GLY  82  34.637  24.667  24.667

  Start of MODEL   18
    1   1H    ACE  50          1HA       ACE  50   1.695  -1.809  -1.809
    2   2H    ACE  50          2HA       ACE  50   0.940  -2.789  -2.789
    3   3H    ACE  50          3HA       ACE  50   0.957  -3.358  -3.358
    4    H    TYR  50           H        TYR  50  -1.405  -3.212  -3.212
    5    HA   TYR  50           HA       TYR  50  -3.571  -2.299  -2.299
    6   1HB   TYR  50          2HB       TYR  50  -2.775  -2.749  -2.749
    7   2HB   TYR  50          1HB       TYR  50  -3.083  -1.028  -1.028
    8    HD1  TYR  50           HD1      TYR  50  -5.450  -0.397  -0.397
    9    HD2  TYR  50           HD2      TYR  50  -4.586  -4.057  -4.057
   10    HE1  TYR  50           HE1      TYR  50  -7.829  -0.853  -0.853
   11    HE2  TYR  50           HE2      TYR  50  -6.986  -4.499  -4.499
   12    HH   TYR  50           HH       TYR  50  -9.166  -2.817  -2.817
   13    H    GLY  51           H        GLY  51  -1.517  -0.726  -0.726
   14   1HA   GLY  51          2HA       GLY  51  -2.647   2.019   2.019
   15   2HA   GLY  51          1HA       GLY  51  -0.910   1.740   1.740
   16    H    ASP  52           H        ASP  52  -3.351   2.821   2.821
   17    HA   ASP  52           HA       ASP  52  -2.708   1.333   1.333
   18   1HB   ASP  52          2HB       ASP  52  -5.081   1.086   1.086
   19   2HB   ASP  52          1HB       ASP  52  -5.235   2.792   2.792
   20    H    THR  53           H        THR  53  -4.137   4.491   4.491
   21    HA   THR  53           HA       THR  53  -2.955   5.895   5.895
   22    HB   THR  53           HB       THR  53  -3.636   7.897   7.897
   23    HG1  THR  53           HG1      THR  53  -3.937   7.169   7.169
   24   1HG2  THR  53          2HG2      THR  53  -5.678   5.606   5.606
   25   2HG2  THR  53          1HG2      THR  53  -6.038   7.310   7.310
   26   3HG2  THR  53          3HG2      THR  53  -5.321   6.732   6.732
   27    H    TRP  54           H        TRP  54  -1.912   5.441   5.441
   28    HA   TRP  54           HA       TRP  54   0.339   7.187   7.187
   29   1HB   TRP  54          2HB       TRP  54  -0.230   6.545   6.545
   30   2HB   TRP  54          1HB       TRP  54  -0.584   4.885   4.885
   31    HD1  TRP  54           HD1      TRP  54   1.106   3.284   3.284
   32    HE1  TRP  54           HE1      TRP  54   3.593   3.251   3.251
   33    HE3  TRP  54           HE3      TRP  54   2.173   7.927   7.927
   34    HZ2  TRP  54           HZ2      TRP  54   5.708   4.974   4.974
   35    HZ3  TRP  54           HZ3      TRP  54   4.526   8.764   8.764
   36    HH2  TRP  54           HH2      TRP  54   6.282   7.272   7.272
   37    H    ALA  55           H        ALA  55   0.196   3.752   3.752
   38    HA   ALA  55           HA       ALA  55   2.830   3.139   3.139
   39   1HB   ALA  55          1HB       ALA  55   0.294   1.734   1.734
   40   2HB   ALA  55          3HB       ALA  55   1.900   1.017   1.017
   41   3HB   ALA  55          2HB       ALA  55   1.103   1.424   1.424
   42    H    GLY  56           H        GLY  56   0.174   3.955   3.955
   43   1HA   GLY  56          2HA       GLY  56   1.636   3.682   3.682
   44   2HA   GLY  56          1HA       GLY  56   0.114   4.543   4.543
   45    H    VAL  57           H        VAL  57   1.038   6.462   6.462
   46    HA   VAL  57           HA       VAL  57   2.323   8.257   8.257
   47    HB   VAL  57           HB       VAL  57   0.583   8.863   8.863
   48   1HG1  VAL  57          1HG1      VAL  57   3.198   9.202   9.202
   49   2HG1  VAL  57          3HG1      VAL  57   1.631   9.772   9.772
   50   3HG1  VAL  57          2HG1      VAL  57   1.933   8.056   8.056
   51   1HG2  VAL  57          1HG2      VAL  57   2.942  10.679  10.679
   52   2HG2  VAL  57          3HG2      VAL  57   1.462  10.545  10.545
   53   3HG2  VAL  57          2HG2      VAL  57   1.414  11.203  11.203
   54    H    GLU  58           H        GLU  58   3.520   6.543   6.543
   55    HA   GLU  58           HA       GLU  58   6.018   8.019   8.019
   56   1HB   GLU  58          2HB       GLU  58   5.247   6.522   6.522
   57   2HB   GLU  58          1HB       GLU  58   5.614   5.137   5.137
   58   1HG   GLU  58          2HG       GLU  58   7.521   5.700   5.700
   59   2HG   GLU  58          1HG       GLU  58   7.998   5.803   5.803
   60    H    ALA  59           H        ALA  59   4.626   5.446   5.446
   61    HA   ALA  59           HA       ALA  59   7.006   4.389   4.389
   62   1HB   ALA  59          2HB       ALA  59   4.931   3.059   3.059
   63   2HB   ALA  59          1HB       ALA  59   4.116   4.178   4.178
   64   3HB   ALA  59          3HB       ALA  59   5.448   3.195   3.195
   65    H    ILE  60           H        ILE  60   4.646   6.766   6.766
   66    HA   ILE  60           HA       ILE  60   5.857   7.099   7.099
   67    HB   ILE  60           HB       ILE  60   4.343   9.160   9.160
   68   1HG1  ILE  60          2HG1      ILE  60   2.782   8.241   8.241
   69   2HG1  ILE  60          1HG1      ILE  60   4.128   9.313   9.313
   70   1HG2  ILE  60          1HG2      ILE  60   2.995   6.499   6.499
   71   2HG2  ILE  60          3HG2      ILE  60   2.252   7.811   7.811
   72   3HG2  ILE  60          2HG2      ILE  60   3.641   6.978   6.978
   73   1HD1  ILE  60          1HD1      ILE  60   3.262  10.947  10.947
   74   2HD1  ILE  60          3HD1      ILE  60   1.842   9.923   9.923
   75   3HD1  ILE  60          2HD1      ILE  60   2.176  10.692  10.692
   76    H    ILE  61           H        ILE  61   5.778   8.537   8.537
   77    HA   ILE  61           HA       ILE  61   7.149  10.901  10.901
   78    HB   ILE  61           HB       ILE  61   6.742   9.029   9.029
   79   1HG1  ILE  61          2HG1      ILE  61   6.607  12.060  12.060
   80   2HG1  ILE  61          1HG1      ILE  61   5.272  11.008  11.008
   81   1HG2  ILE  61          1HG2      ILE  61   9.063  10.905  10.905
   82   2HG2  ILE  61          3HG2      ILE  61   8.288  10.041  10.041
   83   3HG2  ILE  61          2HG2      ILE  61   9.068   9.136   9.136
   84   1HD1  ILE  61          2HD1      ILE  61   5.330  10.019  10.019
   85   2HD1  ILE  61          1HD1      ILE  61   6.658  11.085  11.085
   86   3HD1  ILE  61          3HD1      ILE  61   5.092  11.753  11.753
   87    H    ARG  62           H        ARG  62   8.323   7.619   7.619
   88    HA   ARG  62           HA       ARG  62  11.193   8.088   8.088
   89   1HB   ARG  62          2HB       ARG  62   9.565   5.823   5.823
   90   2HB   ARG  62          1HB       ARG  62  11.316   5.824   5.824
   91   1HG   ARG  62          2HG       ARG  62  11.332   6.040   6.040
   92   2HG   ARG  62          1HG       ARG  62   9.589   6.112   6.112
   93   1HD   ARG  62          2HD       ARG  62  11.300   3.769   3.769
   94   2HD   ARG  62          1HD       ARG  62  10.264   3.815   3.815
   95    HE   ARG  62           HE       ARG  62   8.618   4.360   4.360
   96   1HH1  ARG  62          2HH1      ARG  62  10.488   2.318   2.318
   97   2HH1  ARG  62          1HH1      ARG  62   9.677   0.831   0.831
   98   1HH2  ARG  62          1HH2      ARG  62   7.560   2.365   2.365
   99   2HH2  ARG  62          2HH2      ARG  62   7.948   0.865   0.865
  100    H    ILE  63           H        ILE  63   8.893   8.134   8.134
  101    HA   ILE  63           HA       ILE  63  11.019   8.370   8.370
  102    HB   ILE  63           HB       ILE  63   8.077   8.708   8.708
  103   1HG1  ILE  63          2HG1      ILE  63   7.886   6.842   6.842
  104   2HG1  ILE  63          1HG1      ILE  63   7.902   6.124   6.124
  105   1HG2  ILE  63          3HG2      ILE  63  10.333   7.188   7.188
  106   2HG2  ILE  63          2HG2      ILE  63   8.701   7.368   7.368
  107   3HG2  ILE  63          1HG2      ILE  63   9.735   8.773   8.773
  108   1HD1  ILE  63          1HD1      ILE  63  10.338   5.549   5.549
  109   2HD1  ILE  63          3HD1      ILE  63  10.326   6.230   6.230
  110   3HD1  ILE  63          2HD1      ILE  63   9.332   4.864   4.864
  111    H    LEU  64           H        LEU  64   9.120  10.471  10.471
  112    HA   LEU  64           HA       LEU  64   9.441  12.698  12.698
  113   1HB   LEU  64          2HB       LEU  64   7.786  13.789  13.789
  114   2HB   LEU  64          1HB       LEU  64   7.466  12.142  12.142
  115    HG   LEU  64           HG       LEU  64   8.841  12.352  12.352
  116   1HD1  LEU  64          1HD1      LEU  64   8.801  15.319  15.319
  117   2HD1  LEU  64          3HD1      LEU  64   9.313  14.601  14.601
  118   3HD1  LEU  64          2HD1      LEU  64  10.256  14.357  14.357
  119   1HD2  LEU  64          3HD2      LEU  64   6.303  12.660  12.660
  120   2HD2  LEU  64          2HD2      LEU  64   7.071  13.678  13.678
  121   3HD2  LEU  64          1HD2      LEU  64   6.555  14.352  14.352
  122    H    GLN  65           H        GLN  65  10.895  11.516  11.516
  123    HA   GLN  65           HA       GLN  65  12.580  13.925  13.925
  124   1HB   GLN  65          2HB       GLN  65  13.595  12.816  12.816
  125   2HB   GLN  65          1HB       GLN  65  11.902  12.389  12.389
  126   1HG   GLN  65          2HG       GLN  65  12.740  10.212  10.212
  127   2HG   GLN  65          1HG       GLN  65  14.278  10.633  10.633
  128   1HE2  GLN  65          2HE2      GLN  65  11.047   9.396   9.396
  129   2HE2  GLN  65          1HE2      GLN  65  10.994   9.930   9.930
  130    H    GLN  66           H        GLN  66  12.935  10.565  10.565
  131    HA   GLN  66           HA       GLN  66  15.599  10.702  10.702
  132   1HB   GLN  66          2HB       GLN  66  13.123   9.282   9.282
  133   2HB   GLN  66          1HB       GLN  66  14.568   9.055   9.055
  134   1HG   GLN  66          2HG       GLN  66  15.764   8.386   8.386
  135   2HG   GLN  66          1HG       GLN  66  14.210   8.445   8.445
  136   1HE2  GLN  66          2HE2      GLN  66  13.142   5.401   5.401
  137   2HE2  GLN  66          1HE2      GLN  66  12.643   6.763   6.763
  138    H    LEU  67           H        LEU  67  12.805  11.661  11.661
  139    HA   LEU  67           HA       LEU  67  14.359  12.499  12.499
  140   1HB   LEU  67          2HB       LEU  67  11.483  13.178  13.178
  141   2HB   LEU  67          1HB       LEU  67  12.175  13.447  13.447
  142    HG   LEU  67           HG       LEU  67  12.018  10.719  10.719
  143   1HD1  LEU  67          3HD1      LEU  67  10.365  11.863  11.863
  144   2HD1  LEU  67          2HD1      LEU  67  10.241  10.225  10.225
  145   3HD1  LEU  67          1HD1      LEU  67   9.759  11.570  11.570
  146   1HD2  LEU  67          3HD2      LEU  67  12.815  11.408  11.408
  147   2HD2  LEU  67          2HD2      LEU  67  13.901  10.806  10.806
  148   3HD2  LEU  67          1HD2      LEU  67  12.625   9.787   9.787
  149    H    LEU  68           H        LEU  68  12.975  14.109  14.109
  150    HA   LEU  68           HA       LEU  68  13.754  16.759  16.759
  151   1HB   LEU  68          2HB       LEU  68  13.277  15.620  15.620
  152   2HB   LEU  68          1HB       LEU  68  13.704  17.303  17.303
  153    HG   LEU  68           HG       LEU  68  11.249  16.007  16.007
  154   1HD1  LEU  68          1HD1      LEU  68  11.096  16.086  16.086
  155   2HD1  LEU  68          3HD1      LEU  68  11.432  17.804  17.804
  156   3HD1  LEU  68          2HD1      LEU  68   9.955  17.190  17.190
  157   1HD2  LEU  68          2HD2      LEU  68  12.037  18.935  18.935
  158   2HD2  LEU  68          1HD2      LEU  68  12.085  18.047  18.047
  159   3HD2  LEU  68          3HD2      LEU  68  10.554  18.343  18.343
  160    H    PHE  69           H        PHE  69  15.510  14.024  14.024
  161    HA   PHE  69           HA       PHE  69  17.782  15.588  15.588
  162   1HB   PHE  69          2HB       PHE  69  17.597  12.672  12.672
  163   2HB   PHE  69          1HB       PHE  69  18.980  13.365  13.365
  164    HD1  PHE  69           HD2      PHE  69  16.706  14.994  14.994
  165    HD2  PHE  69           HD1      PHE  69  17.762  10.960  10.960
  166    HE1  PHE  69           HE2      PHE  69  15.775  14.273  14.273
  167    HE2  PHE  69           HE1      PHE  69  16.822  10.242  10.242
  168    HZ   PHE  69           HZ       PHE  69  15.827  11.895  11.895
  169    H    ILE  70           H        ILE  70  16.756  13.988  13.988
  170    HA   ILE  70           HA       ILE  70  19.100  14.128  14.128
  171    HB   ILE  70           HB       ILE  70  16.271  14.635  14.635
  172   1HG1  ILE  70          2HG1      ILE  70  16.188  12.708  12.708
  173   2HG1  ILE  70          1HG1      ILE  70  16.194  12.092  12.092
  174   1HG2  ILE  70          2HG2      ILE  70  18.691  13.347  13.347
  175   2HG2  ILE  70          1HG2      ILE  70  17.072  13.451  13.451
  176   3HG2  ILE  70          3HG2      ILE  70  17.985  14.910  14.910
  177   1HD1  ILE  70          1HD1      ILE  70  18.666  11.588  11.588
  178   2HD1  ILE  70          3HD1      ILE  70  18.502  12.185  12.185
  179   3HD1  ILE  70          2HD1      ILE  70  17.618  10.775  10.775
  180    H    HIS  71           H        HIS  71  16.776  16.660  16.660
  181    HA   HIS  71           HA       HIS  71  17.689  18.628  18.628
  182   1HB   HIS  71          2HB       HIS  71  15.795  19.337  19.337
  183   2HB   HIS  71          1HB       HIS  71  16.341  18.645  18.645
  184    HD1  HIS  71           HD1      HIS  71  16.206  21.858  21.858
  185    HD2  HIS  71           HD2      HIS  71  18.474  19.998  19.998
  186    HE1  HIS  71           HE1      HIS  71  17.443  23.606  23.606
  187    H    PHE  72           H        PHE  72  18.957  17.712  17.712
  188    HA   PHE  72           HA       PHE  72  21.007  19.728  19.728
  189   1HB   PHE  72          2HB       PHE  72  20.135  18.409  18.409
  190   2HB   PHE  72          1HB       PHE  72  20.958  16.998  16.998
  191    HD1  PHE  72           HD2      PHE  72  21.574  20.512  20.512
  192    HD2  PHE  72           HD1      PHE  72  23.287  16.665  16.665
  193    HE1  PHE  72           HE2      PHE  72  23.665  21.239  21.239
  194    HE2  PHE  72           HE1      PHE  72  25.363  17.396  17.396
  195    HZ   PHE  72           HZ       PHE  72  25.561  19.683  19.683
  196    H    ARG  73           H        ARG  73  20.806  16.674  16.674
  197    HA   ARG  73           HA       ARG  73  23.652  16.320  16.320
  198   1HB   ARG  73          2HB       ARG  73  21.208  14.921  14.921
  199   2HB   ARG  73          1HB       ARG  73  22.819  14.243  14.243
  200   1HG   ARG  73          2HG       ARG  73  22.334  15.009  15.009
  201   2HG   ARG  73          1HG       ARG  73  20.722  14.801  14.801
  202   1HD   ARG  73          2HD       ARG  73  22.910  12.664  12.664
  203   2HD   ARG  73          1HD       ARG  73  21.515  12.640  12.640
  204    HE   ARG  73           HE       ARG  73  20.298  12.711  12.711
  205   1HH1  ARG  73          1HH2      ARG  73  22.065  10.515  10.515
  206   2HH1  ARG  73          2HH2      ARG  73  22.154   9.288   9.288
  207   1HH2  ARG  73          2HH1      ARG  73  20.743  11.357  11.357
  208   2HH2  ARG  73          1HH1      ARG  73  21.373   9.780   9.780
  209    H    ILE  74           H        ILE  74  20.843  17.378  17.378
  210    HA   ILE  74           HA       ILE  74  22.007  17.937  17.937
  211    HB   ILE  74           HB       ILE  74  19.461  18.417  18.417
  212   1HG1  ILE  74          2HG1      ILE  74  18.401  17.519  17.519
  213   2HG1  ILE  74          1HG1      ILE  74  19.798  17.821  17.821
  214   1HG2  ILE  74          1HG2      ILE  74  20.078  20.243  20.243
  215   2HG2  ILE  74          3HG2      ILE  74  18.518  20.065  20.065
  216   3HG2  ILE  74          2HG2      ILE  74  19.871  20.747  20.747
  217   1HD1  ILE  74          1HD1      ILE  74  19.751  15.851  15.851
  218   2HD1  ILE  74          3HD1      ILE  74  19.601  15.412  15.412
  219   3HD1  ILE  74          2HD1      ILE  74  21.091  16.088  16.088
  220    H    GLY  75           H        GLY  75  21.293  20.129  20.129
  221   1HA   GLY  75          2HA       GLY  75  22.583  22.438  22.438
  222   2HA   GLY  75          1HA       GLY  75  22.431  22.103  22.103
  223    H    CYS  76           H        CYS  76  23.911  19.941  19.941
  224    HA   CYS  76           HA       CYS  76  26.562  20.814  20.814
  225   1HB   CYS  76          2HB       CYS  76  25.609  18.874  18.874
  226   2HB   CYS  76          1HB       CYS  76  25.528  17.968  17.968
  227    HG   CYS  76           HG       CYS  76  28.029  18.353  18.353
  228    H    ARG  77           H        ARG  77  25.273  18.578  18.578
  229    HA   ARG  77           HA       ARG  77  27.626  18.300  18.300
  230   1HB   ARG  77          2HB       ARG  77  24.694  17.915  17.915
  231   2HB   ARG  77          1HB       ARG  77  25.629  18.116  18.116
  232   1HG   ARG  77          2HG       ARG  77  25.354  15.738  15.738
  233   2HG   ARG  77          1HG       ARG  77  27.036  16.206  16.206
  234   1HD   ARG  77          2HD       ARG  77  25.549  16.143  16.143
  235   2HD   ARG  77          1HD       ARG  77  26.204  14.674  14.674
  236    HE   ARG  77           HE       ARG  77  27.741  16.876  16.876
  237   1HH1  ARG  77          2HH1      ARG  77  29.292  16.828  16.828
  238   2HH1  ARG  77          1HH1      ARG  77  30.271  15.409  15.409
  239   1HH2  ARG  77          1HH2      ARG  77  28.231  13.902  13.902
  240   2HH2  ARG  77          2HH2      ARG  77  29.662  13.698  13.698
  241    H    HIS  78           H        HIS  78  25.307  20.938  20.938
  242    HA   HIS  78           HA       HIS  78  26.373  22.111  22.111
  243   1HB   HIS  78          2HB       HIS  78  24.597  23.283  23.283
  244   2HB   HIS  78          1HB       HIS  78  24.952  24.068  24.068
  245    HD1  HIS  78           HD1      HIS  78  22.087  23.550  23.550
  246    HD2  HIS  78           HD2      HIS  78  24.717  20.575  20.575
  247    HE1  HIS  78           HE1      HIS  78  20.807  21.804  21.804
  248    H    SER  79           H        SER  79  27.538  21.900  21.900
  249    HA   SER  79           HA       SER  79  29.304  22.888  22.888
  250   1HB   SER  79          2HB       SER  79  30.427  22.067  22.067
  251   2HB   SER  79          1HB       SER  79  30.095  23.597  23.597
  252    HG   SER  79           HG       SER  79  31.215  24.548  24.548
  253    H    ARG  80           H        ARG  80  26.954  24.773  24.773
  254    HA   ARG  80           HA       ARG  80  28.101  27.406  27.406
  255   1HB   ARG  80          2HB       ARG  80  25.364  26.654  26.654
  256   2HB   ARG  80          1HB       ARG  80  25.815  28.196  28.196
  257   1HG   ARG  80          2HG       ARG  80  26.380  26.869  26.869
  258   2HG   ARG  80          1HG       ARG  80  25.660  25.477  25.477
  259   1HD   ARG  80          2HD       ARG  80  23.859  26.275  26.275
  260   2HD   ARG  80          1HD       ARG  80  23.554  27.069  27.069
  261    HE   ARG  80           HE       ARG  80  24.296  28.361  28.361
  262   1HH1  ARG  80          1HH2      ARG  80  26.522  29.320  29.320
  263   2HH1  ARG  80          2HH2      ARG  80  25.937  30.680  30.680
  264   1HH2  ARG  80          2HH1      ARG  80  22.587  29.659  29.659
  265   2HH2  ARG  80          1HH1      ARG  80  23.614  30.874  30.874
  266    H    ILE  81           H        ILE  81  27.573  25.322  25.322
  267    HA   ILE  81           HA       ILE  81  27.429  27.086  27.086
  268    HB   ILE  81           HB       ILE  81  26.775  24.725  24.725
  269   1HG1  ILE  81          2HG1      ILE  81  29.233  25.127  25.127
  270   2HG1  ILE  81          1HG1      ILE  81  27.667  25.835  25.835
  271   1HG2  ILE  81          3HG2      ILE  81  29.701  24.010  24.010
  272   2HG2  ILE  81          2HG2      ILE  81  28.444  22.863  22.863
  273   3HG2  ILE  81          1HG2      ILE  81  28.364  23.727  23.727
  274   1HD1  ILE  81          3HD1      ILE  81  28.242  22.841  22.841
  275   2HD1  ILE  81          2HD1      ILE  81  28.000  23.762  23.762
  276   3HD1  ILE  81          1HD1      ILE  81  26.674  23.560  23.560
  277    H    GLY  82           H        GLY  82  28.980  28.647  28.647
  278   1HA   GLY  82          2HA       GLY  82  31.272  28.931  28.931
  279   2HA   GLY  82          1HA       GLY  82  31.844  28.087  28.087
  280   1HN   NH2  83          1HT       GLY  82  29.663  29.529  29.529
  281   2HN   NH2  83          2HT       GLY  82  30.322  31.090  31.090

  Start of MODEL   19
    1   1H    ACE  50          1HA       ACE  50  -5.678   2.000   2.000
    2   2H    ACE  50          2HA       ACE  50  -5.697   1.053   1.053
    3   3H    ACE  50          3HA       ACE  50  -6.846   0.687   0.687
    4    H    TYR  50           H        TYR  50  -6.191  -0.701  -0.701
    5    HA   TYR  50           HA       TYR  50  -3.697  -2.182  -2.182
    6   1HB   TYR  50          2HB       TYR  50  -5.983  -3.167  -3.167
    7   2HB   TYR  50          1HB       TYR  50  -5.610  -2.436  -2.436
    8    HD1  TYR  50           HD2      TYR  50  -4.435  -4.925  -4.925
    9    HD2  TYR  50           HD1      TYR  50  -3.939  -3.430  -3.430
   10    HE1  TYR  50           HE2      TYR  50  -3.022  -6.842  -6.842
   11    HE2  TYR  50           HE1      TYR  50  -2.530  -5.358  -5.358
   12    HH   TYR  50           HH       TYR  50  -2.410  -8.109  -8.109
   13    H    GLY  51           H        GLY  51  -2.782   0.180   0.180
   14   1HA   GLY  51          2HA       GLY  51  -1.331   1.547   1.547
   15   2HA   GLY  51          1HA       GLY  51  -0.999   0.122   0.122
   16    H    ASP  52           H        ASP  52  -1.453   0.308   0.308
   17    HA   ASP  52           HA       ASP  52  -2.314   0.879   0.879
   18   1HB   ASP  52          2HB       ASP  52  -4.561   0.385   0.385
   19   2HB   ASP  52          1HB       ASP  52  -4.675   1.993   1.993
   20    H    THR  53           H        THR  53  -3.197   3.499   3.499
   21    HA   THR  53           HA       THR  53  -2.532   5.611   5.611
   22    HB   THR  53           HB       THR  53  -2.896   7.013   7.013
   23    HG1  THR  53           HG1      THR  53  -3.821   4.892   4.892
   24   1HG2  THR  53          3HG2      THR  53  -4.975   4.773   4.773
   25   2HG2  THR  53          2HG2      THR  53  -5.286   6.336   6.336
   26   3HG2  THR  53          1HG2      THR  53  -4.900   6.240   6.240
   27    H    TRP  54           H        TRP  54  -1.153   4.703   4.703
   28    HA   TRP  54           HA       TRP  54   1.104   6.282   6.282
   29   1HB   TRP  54          2HB       TRP  54   0.724   4.916   4.916
   30   2HB   TRP  54          1HB       TRP  54   0.363   3.495   3.495
   31    HD1  TRP  54           HD1      TRP  54   2.227   1.776   1.776
   32    HE1  TRP  54           HE1      TRP  54   4.703   1.650   1.650
   33    HE3  TRP  54           HE3      TRP  54   2.847   6.511   6.511
   34    HZ2  TRP  54           HZ2      TRP  54   6.682   3.401   3.401
   35    HZ3  TRP  54           HZ3      TRP  54   5.095   7.349   7.349
   36    HH2  TRP  54           HH2      TRP  54   7.012   5.770   5.770
   37    H    ALA  55           H        ALA  55   1.323   3.000   3.000
   38    HA   ALA  55           HA       ALA  55   3.854   3.149   3.149
   39   1HB   ALA  55          1HB       ALA  55   1.497   1.388   1.388
   40   2HB   ALA  55          3HB       ALA  55   3.181   1.056   1.056
   41   3HB   ALA  55          2HB       ALA  55   2.660   1.033   1.033
   42    H    GLY  56           H        GLY  56   0.682   3.753   3.753
   43   1HA   GLY  56          2HA       GLY  56   1.363   4.153   4.153
   44   2HA   GLY  56          1HA       GLY  56   0.010   4.948   4.948
   45    H    VAL  57           H        VAL  57   1.621   6.309   6.309
   46    HA   VAL  57           HA       VAL  57   2.491   8.571   8.571
   47    HB   VAL  57           HB       VAL  57   2.542   8.172   8.172
   48   1HG1  VAL  57          3HG1      VAL  57   2.937  10.741  10.741
   49   2HG1  VAL  57          2HG1      VAL  57   2.876  10.662  10.662
   50   3HG1  VAL  57          1HG1      VAL  57   4.199   9.916   9.916
   51   1HG2  VAL  57          3HG2      VAL  57   0.231   8.247   8.247
   52   2HG2  VAL  57          2HG2      VAL  57   0.540   9.678   9.678
   53   3HG2  VAL  57          1HG2      VAL  57   0.624   9.761   9.761
   54    H    GLU  58           H        GLU  58   4.034   6.245   6.245
   55    HA   GLU  58           HA       GLU  58   6.640   7.494   7.494
   56   1HB   GLU  58          2HB       GLU  58   5.541   4.785   4.785
   57   2HB   GLU  58          1HB       GLU  58   7.217   4.774   4.774
   58   1HG   GLU  58          2HG       GLU  58   6.833   5.075   5.075
   59   2HG   GLU  58          1HG       GLU  58   7.836   6.306   6.306
   60    H    ALA  59           H        ALA  59   4.704   5.549   5.549
   61    HA   ALA  59           HA       ALA  59   6.685   4.864   4.864
   62   1HB   ALA  59          2HB       ALA  59   4.633   3.499   3.499
   63   2HB   ALA  59          1HB       ALA  59   3.636   4.850   4.850
   64   3HB   ALA  59          3HB       ALA  59   4.714   4.075   4.075
   65    H    ILE  60           H        ILE  60   4.288   7.474   7.474
   66    HA   ILE  60           HA       ILE  60   4.994   8.423   8.423
   67    HB   ILE  60           HB       ILE  60   3.615  10.484  10.484
   68   1HG1  ILE  60          2HG1      ILE  60   2.288   9.036   9.036
   69   2HG1  ILE  60          1HG1      ILE  60   3.832   9.769   9.769
   70   1HG2  ILE  60          3HG2      ILE  60   2.264   7.764   7.764
   71   2HG2  ILE  60          2HG2      ILE  60   1.435   9.267   9.267
   72   3HG2  ILE  60          1HG2      ILE  60   2.657   8.649   8.649
   73   1HD1  ILE  60          2HD1      ILE  60   1.485  11.228  11.228
   74   2HD1  ILE  60          1HD1      ILE  60   2.028  11.373  11.373
   75   3HD1  ILE  60          3HD1      ILE  60   3.054  11.945  11.945
   76    H    ILE  61           H        ILE  61   5.794   8.981   8.981
   77    HA   ILE  61           HA       ILE  61   7.142  11.417  11.417
   78    HB   ILE  61           HB       ILE  61   6.650   9.661   9.661
   79   1HG1  ILE  61          2HG1      ILE  61   7.274  12.602  12.602
   80   2HG1  ILE  61          1HG1      ILE  61   5.698  11.852  11.852
   81   1HG2  ILE  61          3HG2      ILE  61   8.955   9.055   9.055
   82   2HG2  ILE  61          2HG2      ILE  61   9.454  10.743  10.743
   83   3HG2  ILE  61          1HG2      ILE  61   8.541  10.012  10.012
   84   1HD1  ILE  61          1HD1      ILE  61   6.197  11.051  11.051
   85   2HD1  ILE  61          3HD1      ILE  61   7.759  11.853  11.853
   86   3HD1  ILE  61          2HD1      ILE  61   6.286  12.796  12.796
   87    H    ARG  62           H        ARG  62   7.950   8.089   8.089
   88    HA   ARG  62           HA       ARG  62  10.754   8.039   8.039
   89   1HB   ARG  62          2HB       ARG  62   9.167   6.020   6.020
   90   2HB   ARG  62          1HB       ARG  62   8.969   6.399   6.399
   91   1HG   ARG  62          2HG       ARG  62  10.623   4.712   4.712
   92   2HG   ARG  62          1HG       ARG  62  11.539   6.185   6.185
   93   1HD   ARG  62          2HD       ARG  62  12.615   4.797   4.797
   94   2HD   ARG  62          1HD       ARG  62  11.916   6.201   6.201
   95    HE   ARG  62           HE       ARG  62  10.274   3.729   3.729
   96   1HH1  ARG  62          2HH1      ARG  62   9.227   5.686   5.686
   97   2HH1  ARG  62          1HH1      ARG  62   9.854   5.296   5.296
   98   1HH2  ARG  62          1HH2      ARG  62  12.405   3.262   3.262
   99   2HH2  ARG  62          2HH2      ARG  62  11.714   3.824   3.824
  100    H    ILE  63           H        ILE  63   8.885   8.155   8.155
  101    HA   ILE  63           HA       ILE  63  11.166   8.856   8.856
  102    HB   ILE  63           HB       ILE  63   9.235   9.022   9.022
  103   1HG1  ILE  63          2HG1      ILE  63   7.232   7.612   7.612
  104   2HG1  ILE  63          1HG1      ILE  63   7.657   7.660   7.660
  105   1HG2  ILE  63          2HG2      ILE  63   9.848   6.437   6.437
  106   2HG2  ILE  63          1HG2      ILE  63   9.206   6.535   6.535
  107   3HG2  ILE  63          3HG2      ILE  63  10.817   7.140   7.140
  108   1HD1  ILE  63          3HD1      ILE  63   6.948  10.045  10.045
  109   2HD1  ILE  63          2HD1      ILE  63   5.950   9.307   9.307
  110   3HD1  ILE  63          1HD1      ILE  63   7.400  10.145  10.145
  111    H    LEU  64           H        LEU  64   8.661  10.788  10.788
  112    HA   LEU  64           HA       LEU  64   9.160  13.042  13.042
  113   1HB   LEU  64          2HB       LEU  64   7.032  12.703  12.703
  114   2HB   LEU  64          1HB       LEU  64   7.898  12.495  12.495
  115    HG   LEU  64           HG       LEU  64   8.621  14.729  14.729
  116   1HD1  LEU  64          3HD1      LEU  64   7.024  14.998  14.998
  117   2HD1  LEU  64          2HD1      LEU  64   7.722  16.355  16.355
  118   3HD1  LEU  64          1HD1      LEU  64   8.770  15.155  15.155
  119   1HD2  LEU  64          1HD2      LEU  64   5.622  14.442  14.442
  120   2HD2  LEU  64          3HD2      LEU  64   6.439  14.208  14.208
  121   3HD2  LEU  64          2HD2      LEU  64   6.360  15.810  15.810
  122    H    GLN  65           H        GLN  65  10.515  11.689  11.689
  123    HA   GLN  65           HA       GLN  65  12.163  14.132  14.132
  124   1HB   GLN  65          2HB       GLN  65  11.783  11.520  11.520
  125   2HB   GLN  65          1HB       GLN  65  13.280  12.393  12.393
  126   1HG   GLN  65          2HG       GLN  65  11.432  13.036  13.036
  127   2HG   GLN  65          1HG       GLN  65  12.095  14.390  14.390
  128   1HE2  GLN  65          2HE2      GLN  65   8.269  13.277  13.277
  129   2HE2  GLN  65          1HE2      GLN  65   9.309  12.093  12.093
  130    H    GLN  66           H        GLN  66  12.692  10.715  10.715
  131    HA   GLN  66           HA       GLN  66  15.418  10.937  10.937
  132   1HB   GLN  66          2HB       GLN  66  13.139   9.237   9.237
  133   2HB   GLN  66          1HB       GLN  66  14.761   8.898   8.898
  134   1HG   GLN  66          2HG       GLN  66  15.501   8.571   8.571
  135   2HG   GLN  66          1HG       GLN  66  13.877   8.933   8.933
  136   1HE2  GLN  66          2HE2      GLN  66  13.213   5.688   5.688
  137   2HE2  GLN  66          1HE2      GLN  66  13.139   7.266   7.266
  138    H    LEU  67           H        LEU  67  12.699  11.679  11.679
  139    HA   LEU  67           HA       LEU  67  14.524  12.139  12.139
  140   1HB   LEU  67          2HB       LEU  67  11.545  12.717  12.717
  141   2HB   LEU  67          1HB       LEU  67  12.408  12.798  12.798
  142    HG   LEU  67           HG       LEU  67  12.269  10.278  10.278
  143   1HD1  LEU  67          1HD1      LEU  67  10.025  10.869  10.869
  144   2HD1  LEU  67          3HD1      LEU  67  10.723  10.962  10.962
  145   3HD1  LEU  67          2HD1      LEU  67  10.655   9.423   9.423
  146   1HD2  LEU  67          2HD2      LEU  67  13.222  10.656  10.656
  147   2HD2  LEU  67          1HD2      LEU  67  14.258  10.335  10.335
  148   3HD2  LEU  67          3HD2      LEU  67  13.120   9.125   9.125
  149    H    LEU  68           H        LEU  68  12.757  14.132  14.132
  150    HA   LEU  68           HA       LEU  68  13.418  16.578  16.578
  151   1HB   LEU  68          2HB       LEU  68  11.685  16.144  16.144
  152   2HB   LEU  68          1HB       LEU  68  12.971  15.894  15.894
  153    HG   LEU  68           HG       LEU  68  12.846  18.261  18.261
  154   1HD1  LEU  68          3HD1      LEU  68  11.209  17.883  17.883
  155   2HD1  LEU  68          2HD1      LEU  68  11.367  19.440  19.440
  156   3HD1  LEU  68          1HD1      LEU  68  10.550  18.113  18.113
  157   1HD2  LEU  68          2HD2      LEU  68  14.824  18.101  18.101
  158   2HD2  LEU  68          1HD2      LEU  68  13.832  19.455  19.455
  159   3HD2  LEU  68          3HD2      LEU  68  13.725  17.944  17.944
  160    H    PHE  69           H        PHE  69  15.168  14.174  14.174
  161    HA   PHE  69           HA       PHE  69  17.295  15.942  15.942
  162   1HB   PHE  69          2HB       PHE  69  17.364  12.963  12.963
  163   2HB   PHE  69          1HB       PHE  69  18.675  13.804  13.804
  164    HD1  PHE  69           HD1      PHE  69  16.013  15.347  15.347
  165    HD2  PHE  69           HD2      PHE  69  17.806  11.492  11.492
  166    HE1  PHE  69           HE1      PHE  69  15.090  14.719  14.719
  167    HE2  PHE  69           HE2      PHE  69  16.872  10.871  10.871
  168    HZ   PHE  69           HZ       PHE  69  15.510  12.478  12.478
  169    H    ILE  70           H        ILE  70  16.618  14.206  14.206
  170    HA   ILE  70           HA       ILE  70  19.102  14.349  14.349
  171    HB   ILE  70           HB       ILE  70  16.357  14.565  14.565
  172   1HG1  ILE  70          2HG1      ILE  70  16.250  12.765  12.765
  173   2HG1  ILE  70          1HG1      ILE  70  16.487  11.995  11.995
  174   1HG2  ILE  70          1HG2      ILE  70  18.956  13.328  13.328
  175   2HG2  ILE  70          3HG2      ILE  70  17.410  13.291  13.291
  176   3HG2  ILE  70          2HG2      ILE  70  18.221  14.819  14.819
  177   1HD1  ILE  70          2HD1      ILE  70  18.946  11.772  11.772
  178   2HD1  ILE  70          1HD1      ILE  70  18.513  12.478  12.478
  179   3HD1  ILE  70          3HD1      ILE  70  17.822  10.950  10.950
  180    H    HIS  71           H        HIS  71  16.648  16.971  16.971
  181    HA   HIS  71           HA       HIS  71  17.977  18.545  18.545
  182   1HB   HIS  71          2HB       HIS  71  16.400  20.187  20.187
  183   2HB   HIS  71          1HB       HIS  71  15.680  18.960  18.960
  184    HD1  HIS  71           HD1      HIS  71  16.830  22.323  22.323
  185    HD2  HIS  71           HD2      HIS  71  17.012  18.896  18.896
  186    HE1  HIS  71           HE1      HIS  71  17.280  22.977  22.977
  187    H    PHE  72           H        PHE  72  18.698  17.858  17.858
  188    HA   PHE  72           HA       PHE  72  20.650  19.991  19.991
  189   1HB   PHE  72          2HB       PHE  72  19.401  18.776  18.776
  190   2HB   PHE  72          1HB       PHE  72  20.433  17.389  17.389
  191    HD1  PHE  72           HD1      PHE  72  20.522  20.985  20.985
  192    HD2  PHE  72           HD2      PHE  72  22.676  17.313  17.313
  193    HE1  PHE  72           HE1      PHE  72  22.323  21.988  21.988
  194    HE2  PHE  72           HE2      PHE  72  24.463  18.314  18.314
  195    HZ   PHE  72           HZ       PHE  72  24.294  20.648  20.648
  196    H    ARG  73           H        ARG  73  20.618  16.965  16.965
  197    HA   ARG  73           HA       ARG  73  23.550  16.650  16.650
  198   1HB   ARG  73          2HB       ARG  73  21.289  15.019  15.019
  199   2HB   ARG  73          1HB       ARG  73  22.925  14.432  14.432
  200   1HG   ARG  73          2HG       ARG  73  22.434  15.177  15.177
  201   2HG   ARG  73          1HG       ARG  73  20.794  15.241  15.241
  202   1HD   ARG  73          2HD       ARG  73  20.843  12.878  12.878
  203   2HD   ARG  73          1HD       ARG  73  22.479  12.734  12.734
  204    HE   ARG  73           HE       ARG  73  20.488  13.743  13.743
  205   1HH1  ARG  73          1HH2      ARG  73  22.580  12.541  12.541
  206   2HH1  ARG  73          2HH2      ARG  73  22.186  10.874  10.874
  207   1HH2  ARG  73          2HH1      ARG  73  19.702  10.999  10.999
  208   2HH2  ARG  73          1HH1      ARG  73  20.486   9.958   9.958
  209    H    ILE  74           H        ILE  74  20.953  16.931  16.931
  210    HA   ILE  74           HA       ILE  74  22.401  17.459  17.459
  211    HB   ILE  74           HB       ILE  74  19.556  17.820  17.820
  212   1HG1  ILE  74          2HG1      ILE  74  18.988  16.247  16.247
  213   2HG1  ILE  74          1HG1      ILE  74  20.500  16.504  16.504
  214   1HG2  ILE  74          1HG2      ILE  74  20.396  18.960  18.960
  215   2HG2  ILE  74          3HG2      ILE  74  18.745  18.793  18.793
  216   3HG2  ILE  74          2HG2      ILE  74  19.838  19.906  19.906
  217   1HD1  ILE  74          1HD1      ILE  74  20.250  15.231  15.231
  218   2HD1  ILE  74          3HD1      ILE  74  20.495  14.359  14.359
  219   3HD1  ILE  74          2HD1      ILE  74  21.745  15.424  15.424
  220    H    GLY  75           H        GLY  75  21.411  19.750  19.750
  221   1HA   GLY  75          2HA       GLY  75  22.250  22.031  22.031
  222   2HA   GLY  75          1HA       GLY  75  21.936  22.079  22.079
  223    H    CYS  76           H        CYS  76  23.546  20.692  20.692
  224    HA   CYS  76           HA       CYS  76  26.074  21.826  21.826
  225   1HB   CYS  76          2HB       CYS  76  25.151  20.569  20.569
  226   2HB   CYS  76          1HB       CYS  76  25.221  19.085  19.085
  227    HG   CYS  76           HG       CYS  76  27.636  18.825  18.825
  228    H    ARG  77           H        ARG  77  25.479  18.531  18.531
  229    HA   ARG  77           HA       ARG  77  28.109  18.121  18.121
  230   1HB   ARG  77          2HB       ARG  77  25.876  16.528  16.528
  231   2HB   ARG  77          1HB       ARG  77  25.845  16.617  16.617
  232   1HG   ARG  77          2HG       ARG  77  27.226  14.773  14.773
  233   2HG   ARG  77          1HG       ARG  77  28.459  16.014  16.014
  234   1HD   ARG  77          2HD       ARG  77  27.155  14.835  14.835
  235   2HD   ARG  77          1HD       ARG  77  28.768  14.453  14.453
  236    HE   ARG  77           HE       ARG  77  28.168  17.292  17.292
  237   1HH1  ARG  77          1HH2      ARG  77  30.923  16.778  16.778
  238   2HH1  ARG  77          2HH2      ARG  77  31.495  16.325  16.325
  239   1HH2  ARG  77          2HH1      ARG  77  28.242  15.643  15.643
  240   2HH2  ARG  77          1HH1      ARG  77  29.910  15.664  15.664
  241    H    HIS  78           H        HIS  78  25.712  20.110  20.110
  242    HA   HIS  78           HA       HIS  78  26.188  19.638  19.638
  243   1HB   HIS  78          2HB       HIS  78  24.277  21.022  21.022
  244   2HB   HIS  78          1HB       HIS  78  25.396  22.265  22.265
  245    HD1  HIS  78           HD1      HIS  78  25.887  23.976  23.976
  246    HD2  HIS  78           HD2      HIS  78  24.395  20.417  20.417
  247    HE1  HIS  78           HE1      HIS  78  25.544  24.240  24.240
  248    H    SER  79           H        SER  79  27.481  22.149  22.149
  249    HA   SER  79           HA       SER  79  30.214  21.946  21.946
  250   1HB   SER  79          2HB       SER  79  29.494  22.595  22.595
  251   2HB   SER  79          1HB       SER  79  28.680  24.030  24.030
  252    HG   SER  79           HG       SER  79  30.611  24.825  24.825
  253    H    ARG  80           H        ARG  80  29.511  22.322  22.322
  254    HA   ARG  80           HA       ARG  80  29.430  23.653  23.653
  255   1HB   ARG  80          2HB       ARG  80  31.657  24.912  24.912
  256   2HB   ARG  80          1HB       ARG  80  31.330  25.427  25.427
  257   1HG   ARG  80          2HG       ARG  80  31.574  22.956  22.956
  258   2HG   ARG  80          1HG       ARG  80  32.230  22.678  22.678
  259   1HD   ARG  80          2HD       ARG  80  34.089  23.129  23.129
  260   2HD   ARG  80          1HD       ARG  80  33.973  24.480  24.480
  261    HE   ARG  80           HE       ARG  80  32.328  25.084  25.084
  262   1HH1  ARG  80          2HH1      ARG  80  35.139  23.726  23.726
  263   2HH1  ARG  80          1HH1      ARG  80  35.956  25.133  25.133
  264   1HH2  ARG  80          1HH2      ARG  80  33.528  27.302  27.302
  265   2HH2  ARG  80          2HH2      ARG  80  35.007  27.222  27.222
  266    H    ILE  81           H        ILE  81  27.601  24.645  24.645
  267    HA   ILE  81           HA       ILE  81  26.150  26.454  26.454
  268    HB   ILE  81           HB       ILE  81  27.054  27.509  27.509
  269   1HG1  ILE  81          2HG1      ILE  81  25.001  25.269  25.269
  270   2HG1  ILE  81          1HG1      ILE  81  26.598  24.988  24.988
  271   1HG2  ILE  81          2HG2      ILE  81  25.405  28.872  28.872
  272   2HG2  ILE  81          1HG2      ILE  81  24.331  27.490  27.490
  273   3HG2  ILE  81          3HG2      ILE  81  24.659  28.238  28.238
  274   1HD1  ILE  81          1HD1      ILE  81  26.084  26.424  26.424
  275   2HD1  ILE  81          3HD1      ILE  81  24.453  26.678  26.678
  276   3HD1  ILE  81          2HD1      ILE  81  24.972  25.074  25.074
  277    H    GLY  82           H        GLY  82  28.892  26.614  26.614
  278   1HA   GLY  82          2HA       GLY  82  30.002  29.238  29.238
  279   2HA   GLY  82          1HA       GLY  82  30.464  28.136  28.136
  280   1HN   NH2  83          1HT       GLY  82  27.686  30.262  30.262
  281   2HN   NH2  83          2HT       GLY  82  27.451  30.821  30.821

  Start of MODEL   20
    1   1H    ACE  50          1HA       ACE  50  -4.933   0.886   0.886
    2   2H    ACE  50          2HA       ACE  50  -4.666   1.149   1.149
    3   3H    ACE  50          3HA       ACE  50  -4.192  -0.375  -0.375
    4    H    TYR  50           H        TYR  50  -3.668   3.063   3.063
    5    HA   TYR  50           HA       TYR  50  -1.807   4.340   4.340
    6   1HB   TYR  50          2HB       TYR  50  -0.315   2.012   2.012
    7   2HB   TYR  50          1HB       TYR  50   0.412   3.556   3.556
    8    HD1  TYR  50           HD2      TYR  50  -0.539   5.667   5.667
    9    HD2  TYR  50           HD1      TYR  50  -1.732   1.802   1.802
   10    HE1  TYR  50           HE2      TYR  50  -1.438   6.655   6.655
   11    HE2  TYR  50           HE1      TYR  50  -2.631   2.805   2.805
   12    HH   TYR  50           HH       TYR  50  -1.952   5.968   5.968
   13    H    GLY  51           H        GLY  51  -1.172   1.079   1.079
   14   1HA   GLY  51          2HA       GLY  51   0.727   1.849   1.849
   15   2HA   GLY  51          1HA       GLY  51   0.063   0.231   0.231
   16    H    ASP  52           H        ASP  52  -1.458   3.345   3.345
   17    HA   ASP  52           HA       ASP  52  -2.790   2.255   2.255
   18   1HB   ASP  52          2HB       ASP  52  -4.686   3.902   3.902
   19   2HB   ASP  52          1HB       ASP  52  -4.466   2.505   2.505
   20    H    THR  53           H        THR  53  -3.536   5.492   5.492
   21    HA   THR  53           HA       THR  53  -2.281   6.419   6.419
   22    HB   THR  53           HB       THR  53  -2.780   8.148   8.148
   23    HG1  THR  53           HG1      THR  53  -4.953   7.844   7.844
   24   1HG2  THR  53          3HG2      THR  53  -3.460   8.521   8.521
   25   2HG2  THR  53          2HG2      THR  53  -3.657   9.727   9.727
   26   3HG2  THR  53          1HG2      THR  53  -2.056   9.246   9.246
   27    H    TRP  54           H        TRP  54  -0.821   6.182   6.182
   28    HA   TRP  54           HA       TRP  54   1.455   7.882   7.882
   29   1HB   TRP  54          2HB       TRP  54   0.578   6.200   6.200
   30   2HB   TRP  54          1HB       TRP  54   2.165   5.615   5.615
   31    HD1  TRP  54           HD1      TRP  54   0.647   8.109   8.109
   32    HE1  TRP  54           HE1      TRP  54   2.230   9.911   9.911
   33    HE3  TRP  54           HE3      TRP  54   4.366   7.245   7.245
   34    HZ2  TRP  54           HZ2      TRP  54   4.665  10.859  10.859
   35    HZ3  TRP  54           HZ3      TRP  54   6.369   8.702   8.702
   36    HH2  TRP  54           HH2      TRP  54   6.514  10.496  10.496
   37    H    ALA  55           H        ALA  55   1.002   4.436   4.436
   38    HA   ALA  55           HA       ALA  55   3.546   3.772   3.772
   39   1HB   ALA  55          3HB       ALA  55   0.861   2.362   2.362
   40   2HB   ALA  55          2HB       ALA  55   2.433   1.648   1.648
   41   3HB   ALA  55          1HB       ALA  55   2.000   2.088   2.088
   42    H    GLY  56           H        GLY  56   0.416   4.384   4.384
   43   1HA   GLY  56          2HA       GLY  56   1.139   4.007   4.007
   44   2HA   GLY  56          1HA       GLY  56  -0.165   5.067   5.067
   45    H    VAL  57           H        VAL  57   1.321   6.887   6.887
   46    HA   VAL  57           HA       VAL  57   2.438   8.461   8.461
   47    HB   VAL  57           HB       VAL  57   1.969   9.024   9.024
   48   1HG1  VAL  57          2HG1      VAL  57   2.724  11.013  11.013
   49   2HG1  VAL  57          1HG1      VAL  57   2.311  11.427  11.427
   50   3HG1  VAL  57          3HG1      VAL  57   3.766  10.519  10.519
   51   1HG2  VAL  57          1HG2      VAL  57  -0.098   8.690   8.690
   52   2HG2  VAL  57          3HG2      VAL  57   0.023  10.347  10.347
   53   3HG2  VAL  57          2HG2      VAL  57   0.457   9.931   9.931
   54    H    GLU  58           H        GLU  58   3.847   6.713   6.713
   55    HA   GLU  58           HA       GLU  58   6.372   8.131   8.131
   56   1HB   GLU  58          2HB       GLU  58   5.390   6.087   6.087
   57   2HB   GLU  58          1HB       GLU  58   6.543   5.220   5.220
   58   1HG   GLU  58          2HG       GLU  58   8.293   6.922   6.922
   59   2HG   GLU  58          1HG       GLU  58   7.111   7.752   7.752
   60    H    ALA  59           H        ALA  59   4.760   5.613   5.613
   61    HA   ALA  59           HA       ALA  59   6.834   4.560   4.560
   62   1HB   ALA  59          2HB       ALA  59   4.723   3.341   3.341
   63   2HB   ALA  59          1HB       ALA  59   3.806   4.554   4.554
   64   3HB   ALA  59          3HB       ALA  59   4.942   3.537   3.537
   65    H    ILE  60           H        ILE  60   4.464   7.134   7.134
   66    HA   ILE  60           HA       ILE  60   5.458   7.511   7.511
   67    HB   ILE  60           HB       ILE  60   4.005   9.645   9.645
   68   1HG1  ILE  60          2HG1      ILE  60   2.451   8.561   8.561
   69   2HG1  ILE  60          1HG1      ILE  60   3.932   9.395   9.395
   70   1HG2  ILE  60          3HG2      ILE  60   3.253   7.542   7.542
   71   2HG2  ILE  60          2HG2      ILE  60   2.682   6.948   6.948
   72   3HG2  ILE  60          1HG2      ILE  60   1.897   8.325   8.325
   73   1HD1  ILE  60          1HD1      ILE  60   1.756  10.571  10.571
   74   2HD1  ILE  60          3HD1      ILE  60   2.078  10.993  10.993
   75   3HD1  ILE  60          2HD1      ILE  60   3.264  11.365  11.365
   76    H    ILE  61           H        ILE  61   5.849   8.744   8.744
   77    HA   ILE  61           HA       ILE  61   7.265  11.084  11.084
   78    HB   ILE  61           HB       ILE  61   6.859   9.359   9.359
   79   1HG1  ILE  61          2HG1      ILE  61   6.960  12.372  12.372
   80   2HG1  ILE  61          1HG1      ILE  61   5.517  11.384  11.384
   81   1HG2  ILE  61          1HG2      ILE  61   9.373  10.977  10.977
   82   2HG2  ILE  61          3HG2      ILE  61   8.563  10.229  10.229
   83   3HG2  ILE  61          2HG2      ILE  61   9.182   9.231   9.231
   84   1HD1  ILE  61          2HD1      ILE  61   5.808  10.582  10.582
   85   2HD1  ILE  61          1HD1      ILE  61   7.197  11.643  11.643
   86   3HD1  ILE  61          3HD1      ILE  61   5.614  12.327  12.327
   87    H    ARG  62           H        ARG  62   8.137   7.779   7.779
   88    HA   ARG  62           HA       ARG  62  11.005   8.139   8.139
   89   1HB   ARG  62          2HB       ARG  62   9.339   5.810   5.810
   90   2HB   ARG  62          1HB       ARG  62  11.082   5.767   5.767
   91   1HG   ARG  62          2HG       ARG  62  10.179   6.604   6.604
   92   2HG   ARG  62          1HG       ARG  62   9.029   5.381   5.381
   93   1HD   ARG  62          2HD       ARG  62  12.010   4.957   4.957
   94   2HD   ARG  62          1HD       ARG  62  10.934   4.396   4.396
   95    HE   ARG  62           HE       ARG  62   9.732   3.312   3.312
   96   1HH1  ARG  62          2HH1      ARG  62  13.045   3.489   3.489
   97   2HH1  ARG  62          1HH1      ARG  62  13.488   1.983   1.983
   98   1HH2  ARG  62          1HH2      ARG  62  10.251   1.322   1.322
   99   2HH2  ARG  62          2HH2      ARG  62  11.869   0.732   0.732
  100    H    ILE  63           H        ILE  63   8.924   7.394   7.394
  101    HA   ILE  63           HA       ILE  63  11.089   7.720   7.720
  102    HB   ILE  63           HB       ILE  63   9.050   7.766   7.766
  103   1HG1  ILE  63          2HG1      ILE  63   7.034   6.533   6.533
  104   2HG1  ILE  63          1HG1      ILE  63   7.558   6.876   6.876
  105   1HG2  ILE  63          3HG2      ILE  63   9.650   5.369   5.369
  106   2HG2  ILE  63          2HG2      ILE  63   8.886   5.282   5.282
  107   3HG2  ILE  63          1HG2      ILE  63  10.538   5.845   5.845
  108   1HD1  ILE  63          1HD1      ILE  63   7.421   9.325   9.325
  109   2HD1  ILE  63          3HD1      ILE  63   6.843   8.914   8.914
  110   3HD1  ILE  63          2HD1      ILE  63   5.896   8.509   8.509
  111    H    LEU  64           H        LEU  64   8.772   9.982   9.982
  112    HA   LEU  64           HA       LEU  64   9.302  11.991  11.991
  113   1HB   LEU  64          2HB       LEU  64   7.174  11.779  11.779
  114   2HB   LEU  64          1HB       LEU  64   8.068  11.825  11.825
  115    HG   LEU  64           HG       LEU  64   8.681  14.031  14.031
  116   1HD1  LEU  64          2HD1      LEU  64   7.178  13.885  13.885
  117   2HD1  LEU  64          1HD1      LEU  64   7.809  15.379  15.379
  118   3HD1  LEU  64          3HD1      LEU  64   8.910  14.118  14.118
  119   1HD2  LEU  64          2HD2      LEU  64   5.714  13.610  13.610
  120   2HD2  LEU  64          1HD2      LEU  64   6.469  13.630  13.630
  121   3HD2  LEU  64          3HD2      LEU  64   6.388  15.105  15.105
  122    H    GLN  65           H        GLN  65  10.714  10.974  10.974
  123    HA   GLN  65           HA       GLN  65  12.395  13.394  13.394
  124   1HB   GLN  65          2HB       GLN  65  12.100  10.900  10.900
  125   2HB   GLN  65          1HB       GLN  65  13.627  11.747  11.747
  126   1HG   GLN  65          2HG       GLN  65  12.242  12.655  12.655
  127   2HG   GLN  65          1HG       GLN  65  12.373  13.885  13.885
  128   1HE2  GLN  65          2HE2      GLN  65   8.834  13.369  13.369
  129   2HE2  GLN  65          1HE2      GLN  65  10.306  13.334  13.334
  130    H    GLN  66           H        GLN  66  12.714   9.969   9.969
  131    HA   GLN  66           HA       GLN  66  15.453  10.019  10.019
  132   1HB   GLN  66          2HB       GLN  66  14.985   7.850   7.850
  133   2HB   GLN  66          1HB       GLN  66  13.407   8.201   8.201
  134   1HG   GLN  66          2HG       GLN  66  12.587   8.754   8.754
  135   2HG   GLN  66          1HG       GLN  66  14.156   8.357   8.357
  136   1HE2  GLN  66          2HE2      GLN  66  12.608   5.201   5.201
  137   2HE2  GLN  66          1HE2      GLN  66  12.946   6.635   6.635
  138    H    LEU  67           H        LEU  67  12.699  11.011  11.011
  139    HA   LEU  67           HA       LEU  67  14.392  11.587  11.587
  140   1HB   LEU  67          2HB       LEU  67  11.467  12.324  12.324
  141   2HB   LEU  67          1HB       LEU  67  12.248  12.461  12.461
  142    HG   LEU  67           HG       LEU  67  11.952   9.865   9.865
  143   1HD1  LEU  67          1HD1      LEU  67  10.356  10.916  10.916
  144   2HD1  LEU  67          3HD1      LEU  67  10.188   9.312   9.312
  145   3HD1  LEU  67          2HD1      LEU  67   9.749  10.719  10.719
  146   1HD2  LEU  67          2HD2      LEU  67  12.828  10.376  10.376
  147   2HD2  LEU  67          1HD2      LEU  67  13.865   9.814   9.814
  148   3HD2  LEU  67          3HD2      LEU  67  12.577   8.790   8.790
  149    H    LEU  68           H        LEU  68  12.812  13.408  13.408
  150    HA   LEU  68           HA       LEU  68  13.519  15.958  15.958
  151   1HB   LEU  68          2HB       LEU  68  11.755  15.749  15.749
  152   2HB   LEU  68          1HB       LEU  68  12.845  14.872  14.872
  153    HG   LEU  68           HG       LEU  68  14.238  16.747  16.747
  154   1HD1  LEU  68          2HD1      LEU  68  12.146  18.313  18.313
  155   2HD1  LEU  68          1HD1      LEU  68  13.480  19.066  19.066
  156   3HD1  LEU  68          3HD1      LEU  68  13.811  18.016  18.016
  157   1HD2  LEU  68          1HD2      LEU  68  11.318  17.345  17.345
  158   2HD2  LEU  68          3HD2      LEU  68  12.461  16.450  16.450
  159   3HD2  LEU  68          2HD2      LEU  68  12.682  18.172  18.172
  160    H    PHE  69           H        PHE  69  15.299  13.321  13.321
  161    HA   PHE  69           HA       PHE  69  17.397  14.973  14.973
  162   1HB   PHE  69          2HB       PHE  69  17.447  12.120  12.120
  163   2HB   PHE  69          1HB       PHE  69  18.819  12.847  12.847
  164    HD1  PHE  69           HD2      PHE  69  16.485  14.254  14.254
  165    HD2  PHE  69           HD1      PHE  69  17.769  10.341  10.341
  166    HE1  PHE  69           HE2      PHE  69  15.660  13.369  13.369
  167    HE2  PHE  69           HE1      PHE  69  16.931   9.466   9.466
  168    HZ   PHE  69           HZ       PHE  69  15.873  10.970  10.970
  169    H    ILE  70           H        ILE  70  16.578  13.888  13.888
  170    HA   ILE  70           HA       ILE  70  19.080  14.165  14.165
  171    HB   ILE  70           HB       ILE  70  16.243  14.776  14.776
  172   1HG1  ILE  70          2HG1      ILE  70  17.837  12.168  12.168
  173   2HG1  ILE  70          1HG1      ILE  70  16.900  12.428  12.428
  174   1HG2  ILE  70          1HG2      ILE  70  18.056  15.525  15.525
  175   2HG2  ILE  70          3HG2      ILE  70  18.754  13.918  13.918
  176   3HG2  ILE  70          2HG2      ILE  70  17.159  14.170  14.170
  177   1HD1  ILE  70          3HD1      ILE  70  14.878  12.789  12.789
  178   2HD1  ILE  70          2HD1      ILE  70  15.794  12.405  12.405
  179   3HD1  ILE  70          1HD1      ILE  70  15.580  11.191  11.191
  180    H    HIS  71           H        HIS  71  16.727  16.629  16.629
  181    HA   HIS  71           HA       HIS  71  17.894  18.837  18.837
  182   1HB   HIS  71          2HB       HIS  71  15.916  19.617  19.617
  183   2HB   HIS  71          1HB       HIS  71  15.899  18.350  18.350
  184    HD1  HIS  71           HD1      HIS  71  15.962  21.874  21.874
  185    HD2  HIS  71           HD2      HIS  71  17.929  18.934  18.934
  186    HE1  HIS  71           HE1      HIS  71  16.833  22.884  22.884
  187    H    PHE  72           H        PHE  72  18.799  17.247  17.247
  188    HA   PHE  72           HA       PHE  72  20.831  19.254  19.254
  189   1HB   PHE  72          2HB       PHE  72  19.497  17.912  17.912
  190   2HB   PHE  72          1HB       PHE  72  20.324  16.477  16.477
  191    HD1  PHE  72           HD1      PHE  72  22.750  16.178  16.178
  192    HD2  PHE  72           HD2      PHE  72  20.676  19.583  19.583
  193    HE1  PHE  72           HE1      PHE  72  24.613  16.644  16.644
  194    HE2  PHE  72           HE2      PHE  72  22.555  20.052  20.052
  195    HZ   PHE  72           HZ       PHE  72  24.530  18.586  18.586
  196    H    ARG  73           H        ARG  73  20.629  16.541  16.541
  197    HA   ARG  73           HA       ARG  73  23.581  16.133  16.133
  198   1HB   ARG  73          2HB       ARG  73  21.297  14.590  14.590
  199   2HB   ARG  73          1HB       ARG  73  22.982  14.083  14.083
  200   1HG   ARG  73          2HG       ARG  73  22.778  14.537  14.537
  201   2HG   ARG  73          1HG       ARG  73  21.090  14.611  14.611
  202   1HD   ARG  73          2HD       ARG  73  22.667  12.137  12.137
  203   2HD   ARG  73          1HD       ARG  73  21.807  12.317  12.317
  204    HE   ARG  73           HE       ARG  73  19.793  12.840  12.840
  205   1HH1  ARG  73          1HH2      ARG  73  21.183  11.733  11.733
  206   2HH1  ARG  73          2HH2      ARG  73  20.789  10.050  10.050
  207   1HH2  ARG  73          2HH1      ARG  73  19.775  10.212  10.212
  208   2HH2  ARG  73          1HH1      ARG  73  19.951   9.143   9.143
  209    H    ILE  74           H        ILE  74  21.088  17.628  17.628
  210    HA   ILE  74           HA       ILE  74  22.571  18.024  18.024
  211    HB   ILE  74           HB       ILE  74  19.725  18.505  18.505
  212   1HG1  ILE  74          2HG1      ILE  74  21.011  17.081  17.081
  213   2HG1  ILE  74          1HG1      ILE  74  20.210  16.365  16.365
  214   1HG2  ILE  74          2HG2      ILE  74  20.876  19.780  19.780
  215   2HG2  ILE  74          1HG2      ILE  74  19.183  19.804  19.804
  216   3HG2  ILE  74          3HG2      ILE  74  20.358  20.670  20.670
  217   1HD1  ILE  74          1HD1      ILE  74  18.037  17.402  17.402
  218   2HD1  ILE  74          3HD1      ILE  74  18.873  18.048  18.048
  219   3HD1  ILE  74          2HD1      ILE  74  18.724  16.319  16.319
  220    H    GLY  75           H        GLY  75  21.036  20.077  20.077
  221   1HA   GLY  75          2HA       GLY  75  22.223  22.505  22.505
  222   2HA   GLY  75          1HA       GLY  75  21.641  22.225  22.225
  223    H    CYS  76           H        CYS  76  23.210  20.640  20.640
  224    HA   CYS  76           HA       CYS  76  25.593  22.004  22.004
  225   1HB   CYS  76          2HB       CYS  76  25.063  19.019  19.019
  226   2HB   CYS  76          1HB       CYS  76  26.323  19.913  19.913
  227    HG   CYS  76           HG       CYS  76  24.693  20.807  20.807
  228    H    ARG  77           H        ARG  77  25.078  19.252  19.252
  229    HA   ARG  77           HA       ARG  77  27.805  18.956  18.956
  230   1HB   ARG  77          2HB       ARG  77  26.043  17.289  17.289
  231   2HB   ARG  77          1HB       ARG  77  25.224  18.334  18.334
  232   1HG   ARG  77          2HG       ARG  77  27.162  18.118  18.118
  233   2HG   ARG  77          1HG       ARG  77  27.989  17.110  17.110
  234   1HD   ARG  77          2HD       ARG  77  26.112  15.462  15.462
  235   2HD   ARG  77          1HD       ARG  77  25.284  16.466  16.466
  236    HE   ARG  77           HE       ARG  77  28.033  15.455  15.455
  237   1HH1  ARG  77          1HH2      ARG  77  25.082  14.119  14.119
  238   2HH1  ARG  77          2HH2      ARG  77  25.007  13.977  13.977
  239   1HH2  ARG  77          2HH1      ARG  77  27.818  16.041  16.041
  240   2HH2  ARG  77          1HH1      ARG  77  26.633  15.103  15.103
  241    H    HIS  78           H        HIS  78  25.170  21.022  21.022
  242    HA   HIS  78           HA       HIS  78  26.855  21.991  21.991
  243   1HB   HIS  78          2HB       HIS  78  24.848  22.789  22.789
  244   2HB   HIS  78          1HB       HIS  78  24.068  21.934  21.934
  245    HD1  HIS  78           HD1      HIS  78  25.825  25.295  25.295
  246    HD2  HIS  78           HD2      HIS  78  22.118  23.515  23.515
  247    HE1  HIS  78           HE1      HIS  78  24.225  27.006  27.006
  248    H    SER  79           H        SER  79  26.445  22.596  22.596
  249    HA   SER  79           HA       SER  79  28.390  24.771  24.771
  250   1HB   SER  79          2HB       SER  79  26.797  26.369  26.369
  251   2HB   SER  79          1HB       SER  79  26.437  26.140  26.140
  252    HG   SER  79           HG       SER  79  25.219  24.157  24.157
  253    H    ARG  80           H        ARG  80  29.714  23.798  23.798
  254    HA   ARG  80           HA       ARG  80  29.067  22.388  22.388
  255   1HB   ARG  80          2HB       ARG  80  31.773  23.704  23.704
  256   2HB   ARG  80          1HB       ARG  80  31.354  22.055  22.055
  257   1HG   ARG  80          2HG       ARG  80  32.395  21.762  21.762
  258   2HG   ARG  80          1HG       ARG  80  30.723  21.881  21.881
  259   1HD   ARG  80          2HD       ARG  80  31.271  24.521  24.521
  260   2HD   ARG  80          1HD       ARG  80  32.927  23.964  23.964
  261    HE   ARG  80           HE       ARG  80  32.690  23.118  23.118
  262   1HH1  ARG  80          1HH2      ARG  80  30.505  21.287  21.287
  263   2HH1  ARG  80          2HH2      ARG  80  29.227  21.990  21.990
  264   1HH2  ARG  80          2HH1      ARG  80  30.702  25.181  25.181
  265   2HH2  ARG  80          1HH1      ARG  80  29.320  24.275  24.275
  266    H    ILE  81           H        ILE  81  28.440  25.494  25.494
  267    HA   ILE  81           HA       ILE  81  28.274  27.398  27.398
  268    HB   ILE  81           HB       ILE  81  28.000  25.316  25.316
  269   1HG1  ILE  81          2HG1      ILE  81  25.909  26.207  26.207
  270   2HG1  ILE  81          1HG1      ILE  81  26.649  24.625  24.625
  271   1HG2  ILE  81          2HG2      ILE  81  27.924  27.748  27.748
  272   2HG2  ILE  81          1HG2      ILE  81  26.632  28.030  28.030
  273   3HG2  ILE  81          3HG2      ILE  81  26.370  26.993  26.993
  274   1HD1  ILE  81          1HD1      ILE  81  25.638  24.193  24.193
  275   2HD1  ILE  81          3HD1      ILE  81  24.849  25.767  25.767
  276   3HD1  ILE  81          2HD1      ILE  81  24.421  24.546  24.546
  277    H    GLY  82           H        GLY  82  30.811  26.997  26.997
  278   1HA   GLY  82          2HA       GLY  82  32.608  26.795  26.795
  279   2HA   GLY  82          1HA       GLY  82  33.048  27.373  27.373
  280   1HN   NH2  83          1HT       GLY  82  31.005  28.569  28.569
  281   2HN   NH2  83          2HT       GLY  82  31.609  30.162  30.162