*HEADER    LIPID BINDING PROTEIN                   05-JUL-00   1F8Z              
*TITLE     NMR STRUCTURE OF THE SIXTH LIGAND-BINDING MODULE OF THE LDL           
*TITLE    2 RECEPTOR                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LOW-DENSITY LIPOPROTEIN RECEPTOR;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SIXTH LIGAND-BINDING MODULE;                               
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: PEPTIDE SYNTHESIS - BASED ON THE HUMAN                
*SOURCE   4 SEQUENCE                                                             
*KEYWDS    LDL RECEPTOR, LIGAND-BINDING DOMAIN, CALCIUM-BINDING,                 
*KEYWDS   2 FAMILIAL HYPERCHOLESTEROLEMIA                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.J.CLAYTON, I.M.BRERETON, P.A.KROON, R.SMITH                         
*REVDAT   1   18-OCT-00 1F8Z    0                                                
! DISTANCE CONSTRAINTS

!  2 THR     
assign (resid 2 and name HN )  ( resid 2 and name HB ) 0.0  0.0  2.96
assign (resid 2 and name HA )  ( resid 2 and name HG2* ) 0.0  0.0  3.58
assign (resid 2 and name HA )  ( resid 3 and name HN ) 0.0  0.0  2.40
assign (resid 2 and name HB )  ( resid 3 and name HN ) 0.0  0.0  2.80
assign (resid 2 and name HG2* )  ( resid 3 and name HN ) 0.0  0.0  4.36
assign (resid 2 and name HG2* )  ( resid 3 and name HA ) 0.0  0.0  7.00
!  3 CYS     
assign (resid 3 and name HN )  ( resid 3 and name HA ) 0.0  0.0  2.80
assign (resid 3 and name HN )  ( resid 3 and name HB2 ) 0.0  0.0  3.14
assign (resid 3 and name HN )  ( resid 3 and name HB1 ) 0.0  0.0  3.24
assign (resid 3 and name HN )  ( resid 3 and name HB* ) 0.0  0.0  2.75
assign (resid 3 and name HN )  ( resid 4 and name HN ) 0.0  0.0  6.00
assign (resid 3 and name HN )  ( resid 9 and name HB2 ) 0.0  0.0  6.00
assign (resid 3 and name HA )  ( resid 3 and name HB2 ) 0.0  0.0  2.65
assign (resid 3 and name HA )  ( resid 3 and name HB1 ) 0.0  0.0  2.65
assign (resid 3 and name HA )  ( resid 3 and name HB* ) 0.0  0.0  2.40
assign (resid 3 and name HA )  ( resid 4 and name HN ) 0.0  0.0  2.40
assign (resid 3 and name HA )  ( resid 4 and name HB* ) 0.0  0.0  7.00
assign (resid 3 and name HA )  ( resid 7 and name HB* ) 0.0  0.0  7.00
assign (resid 3 and name HA )  ( resid 7 and name HG* ) 0.0  0.0  6.38
assign (resid 3 and name HA )  ( resid 15 and name HB2 ) 0.0  0.0  5.50
assign (resid 3 and name HA )  ( resid 15 and name HB1 ) 0.0  0.0  6.00
assign (resid 3 and name HB2 )  ( resid 4 and name HN ) 0.0  0.0  2.93
assign (resid 3 and name HB2 )  ( resid 15 and name HB2 ) 0.0  0.0  5.33
assign (resid 3 and name HB2 )  ( resid 15 and name HB1 ) 0.0  0.0  5.33
assign (resid 3 and name HB1 )  ( resid 4 and name HN ) 0.0  0.0  2.93
assign (resid 3 and name HB1 )  ( resid 15 and name HB2 ) 0.0  0.0  5.33
assign (resid 3 and name HB1 )  ( resid 15 and name HB1 ) 0.0  0.0  5.33
assign (resid 3 and name HB* )  ( resid 4 and name HN ) 0.0  0.0  2.53
assign (resid 3 and name HB* )  ( resid 5 and name HA ) 0.0  0.0  6.38
assign (resid 3 and name HB* )  ( resid 7 and name HN ) 0.0  0.0  4.67
assign (resid 3 and name HB* )  ( resid 7 and name HB* ) 0.0  0.0  4.22
assign (resid 3 and name HB* )  ( resid 7 and name HG* ) 0.0  0.0  5.50
assign (resid 3 and name HB* )  ( resid 9 and name HB2 ) 0.0  0.0  4.40
assign (resid 3 and name HB* )  ( resid 15 and name HB* ) 0.0  0.0  4.14
!  4 ARG     
assign (resid 4 and name HN )  ( resid 4 and name HA ) 0.0  0.0  2.77
assign (resid 4 and name HN )  ( resid 4 and name HB2 ) 0.0  0.0  2.86
assign (resid 4 and name HN )  ( resid 4 and name HB1 ) 0.0  0.0 3.11 
assign (resid 4 and name HN )  ( resid 4 and name HB* ) 0.0  0.0  2.50
assign (resid 4 and name HN )  ( resid 4 and name HG2 ) 0.0  0.0  3.55
assign (resid 4 and name HN )  ( resid 4 and name HG1 ) 0.0  0.0  3.55
assign (resid 4 and name HN )  ( resid 4 and name HG* ) 0.0  0.0  2.94
assign (resid 4 and name HN )  ( resid 4 and name HD* ) 0.0  0.0  6.38
assign (resid 4 and name HN )  ( resid 5 and name HD* ) 0.0  0.0  6.38
assign (resid 4 and name HN )  ( resid 7 and name HN ) 0.0  0.0  4.72
assign (resid 4 and name HN )  ( resid 7 and name HB* ) 0.0  0.0  3.99
assign (resid 4 and name HN )  ( resid 15 and name HB* ) 0.0  0.0  6.38
assign (resid 4 and name HA )  ( resid 4 and name HB2 ) 0.0  0.0  2.65
assign (resid 4 and name HA )  ( resid 4 and name HB1 ) 0.0  0.0  2.65
assign (resid 4 and name HA )  ( resid 4 and name HG2 ) 0.0  0.0  3.21
assign (resid 4 and name HA )  ( resid 4 and name HG1 ) 0.0  0.0  3.21
assign (resid 4 and name HA )  ( resid 4 and name HG* ) 0.0  0.0  2.98
assign (resid 4 and name HA )  ( resid 4 and name HD* ) 0.0  0.0  7.00
assign (resid 4 and name HB2 )  ( resid 6 and name HN ) 0.0  0.0  3.67
assign (resid 4 and name HB1 )  ( resid 6 and name HN ) 0.0  0.0  3.67
assign (resid 4 and name HB* )  ( resid 5 and name HD* ) 0.0  0.0  5.27
assign (resid 4 and name HB* )  ( resid 6 and name HN ) 0.0  0.0  3.19
assign (resid 4 and name HB* )  ( resid 7 and name HN ) 0.0  0.0  4.33
assign (resid 4 and name HG2 )  ( resid 5 and name HD2 ) 0.0  0.0  6.41
assign (resid 4 and name HG2 )  ( resid 5 and name HD1 ) 0.0  0.0  6.41
assign (resid 4 and name HG1 )  ( resid 5 and name HD2 ) 0.0  0.0  6.41
assign (resid 4 and name HG1 )  ( resid 5 and name HD1 ) 0.0  0.0  6.41
assign (resid 4 and name HG* )  ( resid 5 and name HD* ) 0.0  0.0  8.00
!  5 PRO     
assign (resid 5 and name HA )  ( resid 6 and name HN ) 0.0  0.0  3.10
assign (resid 5 and name HA )  ( resid 7 and name HN ) 0.0  0.0  6.00
assign (resid 5 and name HB2 )  ( resid 6 and name HN ) 0.0  0.0  4.57
assign (resid 5 and name HB1 )  ( resid 6 and name HN ) 0.0  0.0  4.57
assign (resid 5 and name HB* )  ( resid 6 and name HN ) 0.0  0.0  3.83
assign (resid 5 and name HG2 )  ( resid 6 and name HN ) 0.0  0.0  6.00
assign (resid 5 and name HG1 )  ( resid 6 and name HN ) 0.0  0.0  5.50
assign (resid 5 and name HD* )  ( resid 6 and name HN ) 0.0  0.0  4.24
!  6 ASP     
assign (resid 6 and name HN )  ( resid 6 and name HA ) 0.0  0.0  2.72
assign (resid 6 and name HN )  ( resid 6 and name HB2 ) 0.0  0.0  3.55
assign (resid 6 and name HN )  ( resid 6 and name HB1 ) 0.0  0.0  3.55
assign (resid 6 and name HN )  ( resid 6 and name HB* ) 0.0  0.0  3.03
assign (resid 6 and name HN )  ( resid 7 and name HN ) 0.0  0.0  2.52
assign (resid 6 and name HN )  ( resid 7 and name HB* ) 0.0  0.0  5.85
assign (resid 6 and name HA )  ( resid 6 and name HB2 ) 0.0  0.0  2.40
assign (resid 6 and name HA )  ( resid 6 and name HB1 ) 0.0  0.0  2.40
assign (resid 6 and name HB2 )  ( resid 7 and name HN ) 0.0  0.0  5.34
assign (resid 6 and name HB1 )  ( resid 7 and name HN ) 0.0  0.0  6.00
!  7 GLU     
assign (resid 7 and name HN )  ( resid 7 and name HB* ) 0.0  0.0  3.34
assign (resid 7 and name HN )  ( resid 7 and name HG2 ) 0.0  0.0  3.92
assign (resid 7 and name HN )  ( resid 7 and name HG1 ) 0.0  0.0  3.92
assign (resid 7 and name HN )  ( resid 7 and name HG* ) 0.0  0.0  3.57
assign (resid 7 and name HN )  ( resid 8 and name HN ) 0.0  0.0  6.00
assign (resid 7 and name HN )  ( resid 18 and name HN ) 0.0  0.0  6.00
assign (resid 7 and name HA )  ( resid 7 and name HG2 ) 0.0  0.0  2.52
assign (resid 7 and name HA )  ( resid 7 and name HG1 ) 0.0  0.0  2.52
assign (resid 7 and name HA )  ( resid 16 and name HN ) 0.0  0.0  6.00
assign (resid 7 and name HA )  ( resid 18 and name HN ) 0.0  0.0  2.40
assign (resid 7 and name HA )  ( resid 18 and name HA2 ) 0.0  0.0  5.28
assign (resid 7 and name HA )  ( resid 18 and name HA1 ) 0.0  0.0  5.28
assign (resid 7 and name HA )  ( resid 18 and name HA* ) 0.0  0.0  4.63
assign (resid 7 and name HB* )  ( resid 8 and name HN ) 0.0  0.0  4.05
assign (resid 7 and name HB* )  ( resid 15 and name HB* ) 0.0  0.0  5.61
assign (resid 7 and name HB* )  ( resid 16 and name HN ) 0.0  0.0  7.00
assign (resid 7 and name HB* )  ( resid 17 and name HA ) 0.0  0.0  6.38
assign (resid 7 and name HB* )  ( resid 18 and name HN ) 0.0  0.0  7.00
assign (resid 7 and name HG2 )  ( resid 8 and name HN ) 0.0  0.0  3.79
assign (resid 7 and name HG2 )  ( resid 18 and name HN ) 0.0  0.0  5.50
assign (resid 7 and name HG1 )  ( resid 8 and name HN ) 0.0  0.0  3.79
assign (resid 7 and name HG1 )  ( resid 18 and name HN ) 0.0  0.0  6.00
assign (resid 7 and name HG* )  ( resid 8 and name HN ) 0.0  0.0  3.14
assign (resid 7 and name HG* )  ( resid 8 and name HB2 ) 0.0  0.0  6.29
assign (resid 7 and name HG* )  ( resid 15 and name HA ) 0.0  0.0  7.00
assign (resid 7 and name HG* )  ( resid 15 and name HB* ) 0.0  0.0  8.00
assign (resid 7 and name HG* )  ( resid 16 and name HN ) 0.0  0.0  4.64
assign (resid 7 and name HG* )  ( resid 17 and name HA ) 0.0  0.0  3.50
assign (resid 7 and name HG* )  ( resid 18 and name HN ) 0.0  0.0  4.71
!  8 PHE     
assign (resid 8 and name HN )  ( resid 8 and name HA ) 0.0  0.0  2.80
assign (resid 8 and name HN )  ( resid 8 and name HB2 ) 0.0  0.0  2.83
assign (resid 8 and name HN )  ( resid 8 and name HB1 ) 0.0  0.0  2.86
assign (resid 8 and name HN )  ( resid 9 and name HN ) 0.0  0.0  4.66
assign (resid 8 and name HN )  ( resid 15 and name HA ) 0.0  0.0  6.00
assign (resid 8 and name HN )  ( resid 15 and name HB* ) 0.0  0.0  7.00
assign (resid 8 and name HN )  ( resid 16 and name HG2* ) 0.0  0.0  6.53
assign (resid 8 and name HN )  ( resid 16 and name HG12 ) 0.0  0.0  5.22
assign (resid 8 and name HN )  ( resid 16 and name HG11 ) 0.0  0.0  3.67
assign (resid 8 and name HN )  ( resid 16 and name HD1* ) 0.0  0.0  6.53
assign (resid 8 and name HN )  ( resid 17 and name HA ) 0.0  0.0  3.39
assign (resid 8 and name HN )  ( resid 18 and name HN ) 0.0  0.0  3.92
assign (resid 8 and name HN )  ( resid 18 and name HA* ) 0.0  0.0  6.00
assign (resid 8 and name HA )  ( resid 8 and name HB2 ) 0.0  0.0  2.40
assign (resid 8 and name HA )  ( resid 9 and name HN ) 0.0  0.0  2.40
assign (resid 8 and name HA )  ( resid 16 and name HG11 ) 0.0  0.0  4.82
assign (resid 8 and name HB2 )  ( resid 9 and name HN ) 0.0  0.0  3.89
assign (resid 8 and name HB2 )  ( resid 16 and name HN ) 0.0  0.0  6.00
assign (resid 8 and name HB2 )  ( resid 16 and name HG12 ) 0.0  0.0  5.50
assign (resid 8 and name HB2 )  ( resid 18 and name HA* ) 0.0  0.0  3.53
assign (resid 8 and name HB1 )  ( resid 9 and name HN ) 0.0  0.0  4.63
assign (resid 8 and name HB1 )  ( resid 16 and name HN ) 0.0  0.0  5.16
assign (resid 8 and name HB1 )  ( resid 16 and name HG2* ) 0.0  0.0  5.72
assign (resid 8 and name HB1 )  ( resid 16 and name HG12 ) 0.0  0.0  2.65
assign (resid 8 and name HB1 )  ( resid 16 and name HG11 ) 0.0  0.0  2.43
assign (resid 8 and name HB1 )  ( resid 16 and name HD1* ) 0.0  0.0  5.32
assign (resid 8 and name HB1 )  ( resid 18 and name HA* ) 0.0  0.0  7.00
!  9 GLN     
assign (resid 9 and name HN )  ( resid 9 and name HB2 ) 0.0  0.0  2.52
assign (resid 9 and name HN )  ( resid 9 and name HB1 ) 0.0  0.0  2.40
assign (resid 9 and name HN )  ( resid 9 and name HG2 ) 0.0  0.0  6.00
assign (resid 9 and name HN )  ( resid 9 and name HG1 ) 0.0  0.0  6.00
assign (resid 9 and name HN )  ( resid 10 and name HN ) 0.0  0.0  4.66
assign (resid 9 and name HA )  ( resid 9 and name HB2 ) 0.0  0.0  2.46
assign (resid 9 and name HA )  ( resid 9 and name HB1 ) 0.0  0.0  2.93
assign (resid 9 and name HA )  ( resid 9 and name HG2 ) 0.0  0.0  3.55
assign (resid 9 and name HA )  ( resid 9 and name HG1 ) 0.0  0.0  2.46
assign (resid 9 and name HA )  ( resid 15 and name HB* ) 0.0  0.0  6.38
assign (resid 9 and name HA )  ( resid 16 and name HN ) 0.0  0.0  6.00
assign (resid 9 and name HB2 )  ( resid 10 and name HN ) 0.0  0.0  3.79
assign (resid 9 and name HB1 )  ( resid 10 and name HN ) 0.0  0.0  6.00
assign (resid 9 and name HG2 )  ( resid 10 and name HN ) 0.0  0.0  3.55
assign (resid 9 and name HG2 )  ( resid 13 and name HN ) 0.0  0.0  4.57
assign (resid 9 and name HG2 )  ( resid 13 and name HA* ) 0.0  0.0  4.27
assign (resid 9 and name HG1 )  ( resid 10 and name HN ) 0.0  0.0  3.30
assign (resid 9 and name HG1 )  ( resid 13 and name HN ) 0.0  0.0  5.50
assign (resid 9 and name HG1 )  ( resid 13 and name HA* ) 0.0  0.0  5.14
assign (resid 9 and name HG1 )  ( resid 14 and name HN ) 0.0  0.0  6.00
assign (resid 9 and name HG1 )  ( resid 15 and name HA ) 0.0  0.0  6.00
!  10 CYS     
assign (resid 10 and name HN )  ( resid 10 and name HA ) 0.0  0.0  2.65
assign (resid 10 and name HN )  ( resid 10 and name HB2 ) 0.0  0.0  3.11
assign (resid 10 and name HN )  ( resid 10 and name HB1 ) 0.0  0.0  3.11
assign (resid 10 and name HN )  ( resid 10 and name HB* ) 0.0  0.0  2.66
assign (resid 10 and name HN )  ( resid 11 and name HN ) 0.0  0.0  6.00
assign (resid 10 and name HN )  ( resid 13 and name HN ) 0.0  0.0  6.00
assign (resid 10 and name HN )  ( resid 14 and name HN ) 0.0  0.0  4.32
assign (resid 10 and name HN )  ( resid 15 and name HA ) 0.0  0.0  2.93
assign (resid 10 and name HN )  ( resid 15 and name HB2 ) 0.0  0.0  6.00
assign (resid 10 and name HN )  ( resid 15 and name HB1 ) 0.0  0.0  6.00
assign (resid 10 and name HN )  ( resid 16 and name HG2* ) 0.0  0.0  7.00
assign (resid 10 and name HN )  ( resid 16 and name HD1* ) 0.0  0.0  7.00
assign (resid 10 and name HA )  ( resid 10 and name HB2 ) 0.0  0.0  2.86
assign (resid 10 and name HA )  ( resid 10 and name HB1 ) 0.0  0.0  2.86
assign (resid 10 and name HA )  ( resid 10 and name HB* ) 0.0  0.0  2.64
assign (resid 10 and name HA )  ( resid 11 and name HN ) 0.0  0.0  2.40
assign (resid 10 and name HB2 )  ( resid 11 and name HN ) 0.0  0.0  3.45
assign (resid 10 and name HB2 )  ( resid 12 and name HN ) 0.0  0.0  3.05
assign (resid 10 and name HB2 )  ( resid 14 and name HN ) 0.0  0.0  3.61
assign (resid 10 and name HB1 )  ( resid 11 and name HN ) 0.0  0.0  3.45
assign (resid 10 and name HB1 )  ( resid 12 and name HN ) 0.0  0.0  3.05
assign (resid 10 and name HB1 )  ( resid 14 and name HN ) 0.0  0.0  3.61
assign (resid 10 and name HB* )  ( resid 11 and name HN ) 0.0  0.0  3.03
assign (resid 10 and name HB* )  ( resid 12 and name HN ) 0.0  0.0  2.78
assign (resid 10 and name HB* )  ( resid 13 and name HN ) 0.0  0.0  4.12
assign (resid 10 and name HB* )  ( resid 14 and name HN ) 0.0  0.0  3.06
assign (resid 10 and name HB* )  ( resid 28 and name HB* ) 0.0  0.0  4.43
!  11 SER     
assign (resid 11 and name HN )  ( resid 11 and name HA ) 0.0  0.0  2.74
assign (resid 11 and name HN )  ( resid 11 and name HB2 ) 0.0  0.0  2.65
assign (resid 11 and name HN )  ( resid 11 and name HB1 ) 0.0  0.0  2.59
assign (resid 11 and name HN )  ( resid 12 and name HN ) 0.0  0.0  2.83
assign (resid 11 and name HN )  ( resid 32 and name HB* ) 0.0  0.0  4.15
assign (resid 11 and name HA )  ( resid 12 and name HN ) 0.0  0.0  3.58
assign (resid 11 and name HA )  ( resid 13 and name HN ) 0.0  0.0  3.48
assign (resid 11 and name HB2 )  ( resid 12 and name HN ) 0.0  0.0  4.01
assign (resid 11 and name HB1 )  ( resid 12 and name HN ) 0.0  0.0  3.02
!  12 ASP     
assign (resid 12 and name HN )  ( resid 12 and name HA ) 0.0  0.0  2.74
assign (resid 12 and name HN )  ( resid 12 and name HB2 ) 0.0  0.0  3.27
assign (resid 12 and name HN )  ( resid 12 and name HB1 ) 0.0  0.0  3.17
assign (resid 12 and name HN )  ( resid 12 and name HB* ) 0.0  0.0  2.73
assign (resid 12 and name HN )  ( resid 13 and name HN ) 0.0  0.0  2.59
assign (resid 12 and name HN )  ( resid 14 and name HN ) 0.0  0.0  5.19
assign (resid 12 and name HA )  ( resid 12 and name HB2 ) 0.0  0.0  2.40
assign (resid 12 and name HA )  ( resid 12 and name HB1 ) 0.0  0.0  2.40
!  13 GLY     
assign (resid 13 and name HN )  ( resid 13 and name HA2 ) 0.0  0.0  2.40
assign (resid 13 and name HN )  ( resid 13 and name HA1 ) 0.0  0.0  2.65
assign (resid 13 and name HN )  ( resid 14 and name HN ) 0.0  0.0  2.86
assign (resid 13 and name HA2 )  ( resid 14 and name HN ) 0.0  0.0  3.58
assign (resid 13 and name HA1 )  ( resid 14 and name HN ) 0.0  0.0  3.58
!  14 ASN     
assign (resid 14 and name HN )  ( resid 14 and name HA ) 0.0  0.0  2.77
assign (resid 14 and name HN )  ( resid 14 and name HB2 ) 0.0  0.0  2.96
assign (resid 14 and name HN )  ( resid 14 and name HB1 ) 0.0  0.0  2.40
assign (resid 14 and name HN )  ( resid 15 and name HN ) 0.0  0.0  6.00
assign (resid 14 and name HA )  ( resid 14 and name HB2 ) 0.0  0.0  2.40
assign (resid 14 and name HA )  ( resid 14 and name HB1 ) 0.0  0.0  2.99
assign (resid 14 and name HA )  ( resid 15 and name HN ) 0.0  0.0  2.40
assign (resid 14 and name HB2 )  ( resid 15 and name HN ) 0.0  0.0  6.00
assign (resid 14 and name HB1 )  ( resid 15 and name HN ) 0.0  0.0  6.00
!  15 CYS     
assign (resid 15 and name HN )  ( resid 16 and name HN ) 0.0  0.0  6.00
assign (resid 15 and name HN )  ( resid 16 and name HG2* ) 0.0  0.0  7.00
assign (resid 15 and name HA )  ( resid 15 and name HB2 ) 0.0  0.0  2.74
assign (resid 15 and name HA )  ( resid 15 and name HB1 ) 0.0  0.0  2.74
assign (resid 15 and name HA )  ( resid 15 and name HB* ) 0.0  0.0  2.42
assign (resid 15 and name HA )  ( resid 16 and name HN ) 0.0  0.0  2.40
assign (resid 15 and name HA )  ( resid 16 and name HG2* ) 0.0  0.0  6.53
assign (resid 15 and name HA )  ( resid 16 and name HG12 ) 0.0  0.0  6.00
assign (resid 15 and name HA )  ( resid 16 and name HD1* ) 0.0  0.0  7.00
assign (resid 15 and name HB2 )  ( resid 16 and name HN ) 0.0  0.0  4.11
assign (resid 15 and name HB1 )  ( resid 16 and name HN ) 0.0  0.0  4.11
assign (resid 15 and name HB* )  ( resid 16 and name HN ) 0.0  0.0  3.47
!  16 ILE     
assign (resid 16 and name HN )  ( resid 16 and name HA ) 0.0  0.0  2.83
assign (resid 16 and name HN )  ( resid 16 and name HB ) 0.0  0.0  3.86
assign (resid 16 and name HN )  ( resid 16 and name HG2* ) 0.0  0.0  4.48
assign (resid 16 and name HN )  ( resid 16 and name HG12 ) 0.0  0.0  2.40
assign (resid 16 and name HN )  ( resid 16 and name HG11 ) 0.0  0.0  2.86
assign (resid 16 and name HN )  ( resid 16 and name HD1* ) 0.0  0.0  4.45
assign (resid 16 and name HA )  ( resid 16 and name HB ) 0.0  0.0  2.40
assign (resid 16 and name HA )  ( resid 17 and name HN ) 0.0  0.0  2.40
assign (resid 16 and name HA )  ( resid 17 and name HB* ) 0.0  0.0  7.00
assign (resid 16 and name HB )  ( resid 17 and name HN ) 0.0  0.0  2.55
assign (resid 16 and name HB )  ( resid 20 and name HD* ) 0.0  0.0  6.38
assign (resid 16 and name HG2* )  ( resid 17 and name HN ) 0.0  0.0  6.53
assign (resid 16 and name HG2* )  ( resid 17 and name HB* ) 0.0  0.0  8.00
assign (resid 16 and name HG2* )  ( resid 20 and name HN ) 0.0  0.0  6.53
assign (resid 16 and name HG2* )  ( resid 20 and name HB* ) 0.0  0.0  4.83
assign (resid 16 and name HG2* )  ( resid 21 and name HN ) 0.0  0.0  6.53
assign (resid 16 and name HG2* )  ( resid 27 and name HN ) 0.0  0.0  6.53
assign (resid 16 and name HG2* )  ( resid 27 and name HB2 ) 0.0  0.0  5.44
assign (resid 16 and name HG2* )  ( resid 27 and name HB1 ) 0.0  0.0  5.44
assign (resid 16 and name HG2* )  ( resid 28 and name HN ) 0.0  0.0  6.28
assign (resid 16 and name HG2* )  ( resid 33 and name HN ) 0.0  0.0  7.00
assign (resid 16 and name HG2* )  ( resid 33 and name HA ) 0.0  0.0  5.10
assign (resid 16 and name HG2* )  ( resid 33 and name HB2 ) 0.0  0.0  4.79
assign (resid 16 and name HG2* )  ( resid 33 and name HB1 ) 0.0  0.0  4.79
assign (resid 16 and name HG2* )  ( resid 33 and name HB* ) 0.0  0.0  4.30
assign (resid 16 and name HG12 )  ( resid 17 and name HN ) 0.0  0.0  5.50
assign (resid 16 and name HG11 )  ( resid 17 and name HN ) 0.0  0.0  3.67
assign (resid 16 and name HG11 )  ( resid 17 and name HA ) 0.0  0.0  4.85
assign (resid 16 and name HD1* )  ( resid 17 and name HN ) 0.0  0.0  6.53
assign (resid 16 and name HD1* )  ( resid 17 and name HB* ) 0.0  0.0  8.00
assign (resid 16 and name HD1* )  ( resid 20 and name HN ) 0.0  0.0  6.53
assign (resid 16 and name HD1* )  ( resid 20 and name HB* ) 0.0  0.0  4.83
assign (resid 16 and name HD1* )  ( resid 21 and name HN ) 0.0  0.0  6.53
assign (resid 16 and name HD1* )  ( resid 27 and name HN ) 0.0  0.0  6.53
assign (resid 16 and name HD1* )  ( resid 27 and name HB2 ) 0.0  0.0  5.13

assign (resid 16 and name HD1* )  ( resid 27 and name HB* ) 0.0  0.0  4.87
assign (resid 16 and name HD1* )  ( resid 28 and name HN ) 0.0  0.0  6.06
assign (resid 16 and name HD1* )  ( resid 33 and name HN ) 0.0  0.0  7.00
assign (resid 16 and name HD1* )  ( resid 33 and name HA ) 0.0  0.0  5.35
assign (resid 16 and name HD1* )  ( resid 33 and name HB2 ) 0.0  0.0  4.82
assign (resid 16 and name HD1* )  ( resid 33 and name HB1 ) 0.0  0.0  4.82
assign (resid 16 and name HD1* )  ( resid 33 and name HB* ) 0.0  0.0  4.25
!  17 HIS     
assign (resid 17 and name HN )  ( resid 17 and name HA ) 0.0  0.0  2.86
assign (resid 17 and name HN )  ( resid 17 and name HB2 ) 0.0  0.0  2.59
assign (resid 17 and name HN )  ( resid 17 and name HB1 ) 0.0  0.0  2.59
assign (resid 17 and name HN )  ( resid 17 and name HB* ) 0.0  0.0  2.34
assign (resid 17 and name HN )  ( resid 18 and name HN ) 0.0  0.0  4.67
assign (resid 17 and name HN )  ( resid 20 and name HB* ) 0.0  0.0  5.23
assign (resid 17 and name HN )  ( resid 20 and name HG* ) 0.0  0.0  6.38
assign (resid 17 and name HA )  ( resid 17 and name HB2 ) 0.0  0.0  2.68
assign (resid 17 and name HA )  ( resid 17 and name HB1 ) 0.0  0.0  2.68
assign (resid 17 and name HA )  ( resid 17 and name HB* ) 0.0  0.0  2.46
assign (resid 17 and name HA )  ( resid 18 and name HN ) 0.0  0.0  2.55
assign (resid 17 and name HA )  ( resid 18 and name HA* ) 0.0  0.0  7.00
assign (resid 17 and name HB2 )  ( resid 18 and name HN ) 0.0  0.0  4.01
assign (resid 17 and name HB2 )  ( resid 19 and name HN ) 0.0  0.0  4.07
assign (resid 17 and name HB2 )  ( resid 20 and name HN ) 0.0  0.0  6.00
assign (resid 17 and name HB1 )  ( resid 18 and name HN ) 0.0  0.0  4.01
assign (resid 17 and name HB1 )  ( resid 19 and name HN ) 0.0  0.0  4.07
assign (resid 17 and name HB1 )  ( resid 20 and name HN ) 0.0  0.0  6.00
assign (resid 17 and name HB* )  ( resid 19 and name HN ) 0.0  0.0  3.59
assign (resid 17 and name HB* )  ( resid 20 and name HG* ) 0.0  0.0  5.83
!  18 GLY     
assign (resid 18 and name HN )  ( resid 18 and name HA2 ) 0.0  0.0  2.55
assign (resid 18 and name HN )  ( resid 18 and name HA1 ) 0.0  0.0  2.55
assign (resid 18 and name HN )  ( resid 18 and name HA* ) 0.0  0.0  2.32
assign (resid 18 and name HN )  ( resid 19 and name HN ) 0.0  0.0  2.96
assign (resid 18 and name HA2 )  ( resid 19 and name HN ) 0.0  0.0  3.45
assign (resid 18 and name HA2 )  ( resid 20 and name HN ) 0.0  0.0  6.00
assign (resid 18 and name HA2 )  ( resid 21 and name HN ) 0.0  0.0  6.00
assign (resid 18 and name HA1 )  ( resid 19 and name HN ) 0.0  0.0  3.45
assign (resid 18 and name HA1 )  ( resid 20 and name HN ) 0.0  0.0  5.34
assign (resid 18 and name HA1 )  ( resid 21 and name HN ) 0.0  0.0  5.34
assign (resid 18 and name HA* )  ( resid 19 and name HN ) 0.0  0.0  3.14
assign (resid 18 and name HA* )  ( resid 20 and name HN ) 0.0  0.0  4.70
assign (resid 18 and name HA* )  ( resid 21 and name HN ) 0.0  0.0  4.50
!  19 SER     
assign (resid 19 and name HN )  ( resid 19 and name HA ) 0.0  0.0  2.68
assign (resid 19 and name HN )  ( resid 19 and name HB* ) 0.0  0.0  3.65
assign (resid 19 and name HN )  ( resid 20 and name HN ) 0.0  0.0  2.77
assign (resid 19 and name HN )  ( resid 20 and name HG* ) 0.0  0.0  7.00
assign (resid 19 and name HA )  ( resid 20 and name HN ) 0.0  0.0  3.52
assign (resid 19 and name HA )  ( resid 21 and name HN ) 0.0  0.0  3.98
!  20 ARG     
assign (resid 20 and name HN )  ( resid 20 and name HA ) 0.0  0.0  2.80
assign (resid 20 and name HN )  ( resid 20 and name HB2 ) 0.0  0.0  3.17
assign (resid 20 and name HN )  ( resid 20 and name HB1 ) 0.0  0.0  3.17
assign (resid 20 and name HN )  ( resid 20 and name HB* ) 0.0  0.0  2.67
assign (resid 20 and name HN )  ( resid 20 and name HG* ) 0.0  0.0  3.99
assign (resid 20 and name HN )  ( resid 20 and name HD* ) 0.0  0.0  7.00
assign (resid 20 and name HN )  ( resid 21 and name HN ) 0.0  0.0  2.52
assign (resid 20 and name HA )  ( resid 20 and name HB2 ) 0.0  0.0  2.63
assign (resid 20 and name HA )  ( resid 20 and name HB1 ) 0.0  0.0  2.53
assign (resid 20 and name HA )  ( resid 20 and name HB* ) 0.0  0.0  2.53
assign (resid 20 and name HA )  ( resid 20 and name HG* ) 0.0  0.0  3.74
assign (resid 20 and name HA )  ( resid 21 and name HN ) 0.0  0.0  3.21
assign (resid 20 and name HA )  ( resid 23 and name HB* ) 0.0  0.0  7.00
!  21 GLN     
assign (resid 21 and name HN )  ( resid 21 and name HA ) 0.0  0.0  2.77
assign (resid 21 and name HN )  ( resid 21 and name HB2 ) 0.0  0.0  2.49
assign (resid 21 and name HN )  ( resid 21 and name HB1 ) 0.0  0.0  2.40
assign (resid 21 and name HN )  ( resid 21 and name HG2 ) 0.0  0.0  6.00
assign (resid 21 and name HN )  ( resid 21 and name HG1 ) 0.0  0.0  6.00
assign (resid 21 and name HN )  ( resid 22 and name HN ) 0.0  0.0  6.00
assign (resid 21 and name HA )  ( resid 21 and name HB2 ) 0.0  0.0  2.59
assign (resid 21 and name HA )  ( resid 21 and name HG2 ) 0.0  0.0  3.52
assign (resid 21 and name HA )  ( resid 21 and name HG1 ) 0.0  0.0  3.52
assign (resid 21 and name HA )  ( resid 21 and name HG* ) 0.0  0.0  3.23
assign (resid 21 and name HA )  ( resid 22 and name HN ) 0.0  0.0  2.40
assign (resid 21 and name HA )  ( resid 22 and name HA ) 0.0  0.0  6.00
assign (resid 21 and name HA )  ( resid 23 and name HN ) 0.0  0.0  5.34
assign (resid 21 and name HB2 )  ( resid 22 and name HN ) 0.0  0.0  6.00
assign (resid 21 and name HB1 )  ( resid 22 and name HN ) 0.0  0.0  6.00
assign (resid 21 and name HB1 )  ( resid 22 and name HB2 ) 0.0  0.0  6.00
assign (resid 21 and name HB1 )  ( resid 22 and name HB1 ) 0.0  0.0  6.00
assign (resid 21 and name HG2 )  ( resid 22 and name HN ) 0.0  0.0  3.67
assign (resid 21 and name HG1 )  ( resid 22 and name HN ) 0.0  0.0  3.67
assign (resid 21 and name HG* )  ( resid 22 and name HN ) 0.0  0.0  3.22
!  22 CYS  resid   
assign (resid 22 and name HN )  ( resid 22 and name HA ) 0.0  0.0  2.40
assign (resid 22 and name HN )  ( resid 23 and name HN ) 0.0  0.0  2.74
assign (resid 22 and name HN )  ( resid 33 and name HB* ) 0.0  0.0  6.00
assign (resid 22 and name HN )  ( resid 34 and name HA ) 0.0  0.0  3.36
assign (resid 22 and name HA )  ( resid 22 and name HB2 ) 0.0  0.0  2.74
assign (resid 22 and name HA )  ( resid 22 and name HB1 ) 0.0  0.0  2.74
assign (resid 22 and name HA )  ( resid 22 and name HB* ) 0.0  0.0  2.47
assign (resid 22 and name HA )  ( resid 23 and name HN ) 0.0  0.0  2.52
assign (resid 22 and name HA )  ( resid 24 and name HN ) 0.0  0.0  3.02
assign (resid 22 and name HA )  ( resid 37 and name HB2 ) 0.0  0.0  5.50
assign (resid 22 and name HA )  ( resid 37 and name HB1 ) 0.0  0.0  5.50
assign (resid 22 and name HA )  ( resid 37 and name HB* ) 0.0  0.0  5.15
assign (resid 22 and name HB2 )  ( resid 37 and name HB2 ) 0.0  0.0  7.25
assign (resid 22 and name HB2 )  ( resid 37 and name HB1 ) 0.0  0.0  7.25
assign (resid 22 and name HB1 )  ( resid 37 and name HB2 ) 0.0  0.0  7.25
assign (resid 22 and name HB1 )  ( resid 37 and name HB1 ) 0.0  0.0  7.25
assign (resid 22 and name HB* )  ( resid 23 and name HN ) 0.0  0.0  7.00
assign (resid 22 and name HB* )  ( resid 37 and name HA ) 0.0  0.0  7.00
assign (resid 22 and name HB* )  ( resid 37 and name HB* ) 0.0  0.0  8.00
!  23 ASP     
assign (resid 23 and name HN )  ( resid 23 and name HB* ) 0.0  0.0  7.00
assign (resid 23 and name HN )  ( resid 24 and name HN ) 0.0  0.0  2.40
assign (resid 23 and name HN )  ( resid 24 and name HA ) 0.0  0.0  3.42
assign (resid 23 and name HN )  ( resid 24 and name HG* ) 0.0  0.0  7.00
assign (resid 23 and name HN )  ( resid 25 and name HN ) 0.0  0.0  3.42
assign (resid 23 and name HA )  ( resid 24 and name HG* ) 0.0  0.0  7.00
assign (resid 23 and name HA )  ( resid 25 and name HN ) 0.0  0.0  6.00
assign (resid 23 and name HB2 )  ( resid 24 and name HN ) 0.0  0.0  5.34
assign (resid 23 and name HB1 )  ( resid 24 and name HN ) 0.0  0.0  6.00
assign (resid 23 and name HB* )  ( resid 25 and name HN ) 0.0  0.0  7.00
!  24 ARG     
assign (resid 24 and name HN )  ( resid 24 and name HA ) 0.0  0.0  2.40
assign (resid 24 and name HN )  ( resid 24 and name HB2 ) 0.0  0.0  3.67
assign (resid 24 and name HN )  ( resid 24 and name HB1 ) 0.0  0.0  3.67
assign (resid 24 and name HN )  ( resid 24 and name HB* ) 0.0  0.0  3.38
assign (resid 24 and name HN )  ( resid 24 and name HG* ) 0.0  0.0  4.36
assign (resid 24 and name HN )  ( resid 24 and name HD* ) 0.0  0.0  7.00
assign (resid 24 and name HN )  ( resid 25 and name HN ) 0.0  0.0  2.65
assign (resid 24 and name HN )  ( resid 34 and name HB* ) 0.0  0.0  7.00
assign (resid 24 and name HA )  ( resid 24 and name HB2 ) 0.0  0.0  2.52
assign (resid 24 and name HA )  ( resid 24 and name HB1 ) 0.0  0.0  2.52
assign (resid 24 and name HA )  ( resid 24 and name HB* ) 0.0  0.0  2.30
assign (resid 24 and name HA )  ( resid 24 and name HG* ) 0.0  0.0  3.77
assign (resid 24 and name HA )  ( resid 24 and name HD* ) 0.0  0.0  7.00
assign (resid 24 and name HA )  ( resid 25 and name HN ) 0.0  0.0  2.80
assign (resid 24 and name HA )  ( resid 34 and name HB* ) 0.0  0.0  6.35
assign (resid 24 and name HB* )  ( resid 25 and name HN ) 0.0  0.0  4.27
assign (resid 24 and name HB* )  ( resid 26 and name HA ) 0.0  0.0  6.22
assign (resid 24 and name HG* )  ( resid 25 and name HN ) 0.0  0.0  7.00
!  25 GLU     
assign (resid 25 and name HN )  ( resid 25 and name HB* ) 0.0  0.0  3.46
assign (resid 25 and name HN )  ( resid 25 and name HG* ) 0.0  0.0  4.61
assign (resid 25 and name HN )  ( resid 26 and name HN ) 0.0  0.0  6.00
assign (resid 25 and name HN )  ( resid 34 and name HB* ) 0.0  0.0  7.00
assign (resid 25 and name HA )  ( resid 26 and name HN ) 0.0  0.0  2.40
assign (resid 25 and name HB* )  ( resid 26 and name HN ) 0.0  0.0  3.96
assign (resid 25 and name HG* )  ( resid 26 and name HN ) 0.0  0.0  5.82
!  26 TYR     
assign (resid 26 and name HN )  ( resid 26 and name HA ) 0.0  0.0  2.65
assign (resid 26 and name HN )  ( resid 26 and name HB2 ) 0.0  0.0  2.71
assign (resid 26 and name HN )  ( resid 26 and name HB1 ) 0.0  0.0  2.71
assign (resid 26 and name HN )  ( resid 27 and name HN ) 0.0  0.0  6.00
assign (resid 26 and name HA )  ( resid 34 and name HB* ) 0.0  0.0  4.86
assign (resid 26 and name HB2 )  ( resid 31 and name HA ) 0.0  0.0  6.00
assign (resid 26 and name HB1 )  ( resid 31 and name HA ) 0.0  0.0  6.00
assign (resid 26 and name HB* )  ( resid 31 and name HA ) 0.0  0.0  4.69
!  27 ASP     
assign (resid 27 and name HN )  ( resid 27 and name HA ) 0.0  0.0  2.65
assign (resid 27 and name HN )  ( resid 27 and name HB2 ) 0.0  0.0  3.24
assign (resid 27 and name HN )  ( resid 27 and name HB1 ) 0.0  0.0  3.24
assign (resid 27 and name HN )  ( resid 27 and name HB* ) 0.0  0.0  2.78
assign (resid 27 and name HN )  ( resid 28 and name HN ) 0.0  0.0  2.40
assign (resid 27 and name HN )  ( resid 34 and name HB* ) 0.0  0.0  7.00
assign (resid 27 and name HN )  ( resid 34 and name HG* ) 0.0  0.0  7.00
assign (resid 27 and name HA )  ( resid 27 and name HB* ) 0.0  0.0  2.62
assign (resid 27 and name HA )  ( resid 28 and name HN ) 0.0  0.0  3.17
assign (resid 27 and name HA )  ( resid 34 and name HG* ) 0.0  0.0  6.38
assign (resid 27 and name HB* )  ( resid 28 and name HN ) 0.0  0.0  3.78
!  28 CYS     
assign (resid 28 and name HN )  ( resid 28 and name HB2 ) 0.0  0.0  3.39
assign (resid 28 and name HN )  ( resid 28 and name HB1 ) 0.0  0.0  3.39
assign (resid 28 and name HN )  ( resid 28 and name HB* ) 0.0  0.0  2.90
assign (resid 28 and name HN )  ( resid 29 and name HN ) 0.0  0.0  6.00
assign (resid 28 and name HN )  ( resid 29 and name HE* ) 0.0  0.0  6.38
assign (resid 28 and name HN )  ( resid 31 and name HN ) 0.0  0.0  6.00
assign (resid 28 and name HN )  ( resid 31 and name HA ) 0.0  0.0  6.00
assign (resid 28 and name HN )  ( resid 33 and name HN ) 0.0  0.0  3.79
assign (resid 28 and name HN )  ( resid 33 and name HB2 ) 0.0  0.0  6.00
assign (resid 28 and name HN )  ( resid 33 and name HB1 ) 0.0  0.0  6.00
assign (resid 28 and name HA )  ( resid 29 and name HN ) 0.0  0.0  2.40
assign (resid 28 and name HA )  ( resid 30 and name HN ) 0.0  0.0  4.76
assign (resid 28 and name HB2 )  ( resid 29 and name HN ) 0.0  0.0  4.69
assign (resid 28 and name HB2 )  ( resid 32 and name HN ) 0.0  0.0  3.33
assign (resid 28 and name HB2 )  ( resid 33 and name HN ) 0.0  0.0  3.86
assign (resid 28 and name HB1 )  ( resid 29 and name HN ) 0.0  0.0  4.69
assign (resid 28 and name HB1 )  ( resid 32 and name HN ) 0.0  0.0  3.33
assign (resid 28 and name HB1 )  ( resid 33 and name HN ) 0.0  0.0  3.86
assign (resid 28 and name HB* )  ( resid 29 and name HN ) 0.0  0.0  3.95
assign (resid 28 and name HB* )  ( resid 30 and name HN ) 0.0  0.0  7.00
assign (resid 28 and name HB* )  ( resid 31 and name HN ) 0.0  0.0  3.68
assign (resid 28 and name HB* )  ( resid 32 and name HN ) 0.0  0.0  2.98
assign (resid 28 and name HB* )  ( resid 33 and name HN ) 0.0  0.0  3.17
!  29 LYS     
assign (resid 29 and name HN )  ( resid 29 and name HA ) 0.0  0.0  2.68
assign (resid 29 and name HN )  ( resid 29 and name HB* ) 0.0  0.0  3.43
assign (resid 29 and name HN )  ( resid 29 and name HD* ) 0.0  0.0  4.61
assign (resid 29 and name HN )  ( resid 30 and name HN ) 0.0  0.0  2.77
assign (resid 29 and name HN )  ( resid 31 and name HN ) 0.0  0.0  6.00
assign (resid 29 and name HA )  ( resid 29 and name HD* ) 0.0  0.0  5.29
assign (resid 29 and name HA )  ( resid 29 and name HE* ) 0.0  0.0  7.00
assign (resid 29 and name HA )  ( resid 30 and name HN ) 0.0  0.0  3.21
assign (resid 29 and name HA )  ( resid 31 and name HN ) 0.0  0.0  3.92
assign (resid 29 and name HB* )  ( resid 30 and name HN ) 0.0  0.0  3.93
assign (resid 29 and name HD* )  ( resid 30 and name HN ) 0.0  0.0  7.00
assign (resid 29 and name HE* )  ( resid 31 and name HN ) 0.0  0.0  6.38
!  30 ASP     
assign (resid 30 and name HN )  ( resid 30 and name HA ) 0.0  0.0  2.74
assign (resid 30 and name HN )  ( resid 30 and name HB2 ) 0.0  0.0  2.90
assign (resid 30 and name HN )  ( resid 30 and name HB1 ) 0.0  0.0  2.90
assign (resid 30 and name HN )  ( resid 30 and name HB* ) 0.0  0.0  2.64
assign (resid 30 and name HN )  ( resid 31 and name HN ) 0.0  0.0  2.52
assign (resid 30 and name HN )  ( resid 31 and name HA ) 0.0  0.0  6.00
assign (resid 30 and name HN )  ( resid 32 and name HN ) 0.0  0.0  4.26
assign (resid 30 and name HA )  ( resid 30 and name HB2 ) 0.0  0.0  2.59
assign (resid 30 and name HA )  ( resid 30 and name HB1 ) 0.0  0.0  2.69
assign (resid 30 and name HA )  ( resid 30 and name HB* ) 0.0  0.0  2.37
assign (resid 30 and name HA )  ( resid 31 and name HN ) 0.0  0.0  3.11
!  31 MET     
assign (resid 31 and name HN )  ( resid 31 and name HA ) 0.0  0.0  2.40
assign (resid 31 and name HN )  ( resid 31 and name HB2 ) 0.0  0.0  3.92
assign (resid 31 and name HN )  ( resid 31 and name HB1 ) 0.0  0.0  3.92
assign (resid 31 and name HN )  ( resid 31 and name HB* ) 0.0  0.0  3.68
assign (resid 31 and name HN )  ( resid 31 and name HG* ) 0.0  0.0  5.54
assign (resid 31 and name HN )  ( resid 32 and name HN ) 0.0  0.0  2.90
assign (resid 31 and name HN )  ( resid 33 and name HN ) 0.0  0.0  6.00
assign (resid 31 and name HN )  ( resid 34 and name HG* ) 0.0  0.0  7.00
assign (resid 31 and name HA )  ( resid 32 and name HN ) 0.0  0.0  3.39
assign (resid 31 and name HA )  ( resid 33 and name HN ) 0.0  0.0  3.64
assign (resid 31 and name HA )  ( resid 34 and name HN ) 0.0  0.0  6.00
assign (resid 31 and name HB2 )  ( resid 32 and name HN ) 0.0  0.0  6.00
assign (resid 31 and name HB1 )  ( resid 32 and name HN ) 0.0  0.0  6.00
!  32 SER     
assign (resid 32 and name HN )  ( resid 32 and name HA ) 0.0  0.0  2.80
assign (resid 32 and name HN )  ( resid 32 and name HB2 ) 0.0  0.0  3.76
assign (resid 32 and name HN )  ( resid 32 and name HB1 ) 0.0  0.0  3.76
assign (resid 32 and name HN )  ( resid 32 and name HB* ) 0.0  0.0  3.11
assign (resid 32 and name HN )  ( resid 33 and name HN ) 0.0  0.0  3.08
assign (resid 32 and name HN )  ( resid 35 and name HG* ) 0.0  0.0  8.40
assign (resid 32 and name HA )  ( resid 33 and name HN ) 0.0  0.0  3.39
assign (resid 32 and name HA )  ( resid 34 and name HN ) 0.0  0.0  3.30
assign (resid 32 and name HB2 )  ( resid 35 and name HG1* ) 0.0  0.0  9.65
assign (resid 32 and name HB2 )  ( resid 35 and name HG2* ) 0.0  0.0  9.65
assign (resid 32 and name HB1 )  ( resid 35 and name HG1* ) 0.0  0.0  9.65
assign (resid 32 and name HB1 )  ( resid 35 and name HG2* ) 0.0  0.0  9.65
assign (resid 32 and name HB* )  ( resid 35 and name HG* ) 0.0  0.0  8.04
!  33 ASP     
assign (resid 33 and name HN )  ( resid 33 and name HB2 ) 0.0  0.0  3.39
assign (resid 33 and name HN )  ( resid 33 and name HB1 ) 0.0  0.0  3.39
assign (resid 33 and name HN )  ( resid 33 and name HB* ) 0.0  0.0  2.94
assign (resid 33 and name HN )  ( resid 34 and name HN ) 0.0  0.0  2.43
assign (resid 33 and name HN )  ( resid 34 and name HB* ) 0.0  0.0  7.00
assign (resid 33 and name HN )  ( resid 34 and name HG* ) 0.0  0.0  6.38
assign (resid 33 and name HN )  ( resid 35 and name HN ) 0.0  0.0  6.00
assign (resid 33 and name HN )  ( resid 35 and name HG* ) 0.0  0.0  8.40
assign (resid 33 and name HA )  ( resid 33 and name HB2 ) 0.0  0.0  2.40
assign (resid 33 and name HA )  ( resid 33 and name HB1 ) 0.0  0.0  2.40
assign (resid 33 and name HA )  ( resid 34 and name HN ) 0.0  0.0  3.30
assign (resid 33 and name HA )  ( resid 35 and name HN ) 0.0  0.0  6.00
assign (resid 33 and name HB2 )  ( resid 34 and name HN ) 0.0  0.0  6.00
assign (resid 33 and name HB1 )  ( resid 34 and name HN ) 0.0  0.0  5.34
!  34 GLU     
assign (resid 34 and name HN )  ( resid 34 and name HB2 ) 0.0  0.0  3.24
assign (resid 34 and name HN )  ( resid 34 and name HB1 ) 0.0  0.0  3.24
assign (resid 34 and name HN )  ( resid 34 and name HB* ) 0.0  0.0  2.73
assign (resid 34 and name HN )  ( resid 34 and name HG* ) 0.0  0.0  4.30
assign (resid 34 and name HN )  ( resid 35 and name HN ) 0.0  0.0  2.49
assign (resid 34 and name HN )  ( resid 35 and name HG* ) 0.0  0.0  6.51
assign (resid 34 and name HA )  ( resid 34 and name HB2 ) 0.0  0.0  2.96
assign (resid 34 and name HA )  ( resid 34 and name HB1 ) 0.0  0.0  2.96
assign (resid 34 and name HA )  ( resid 34 and name HB* ) 0.0  0.0  2.61
assign (resid 34 and name HA )  ( resid 35 and name HN ) 0.0  0.0  2.80
assign (resid 34 and name HA )  ( resid 35 and name HG* ) 0.0  0.0  8.40
assign (resid 34 and name HB* )  ( resid 35 and name HN ) 0.0  0.0  7.00
!  35 VAL     
assign (resid 35 and name HN )  ( resid 35 and name HA ) 0.0  0.0  2.65
assign (resid 35 and name HN )  ( resid 35 and name HB ) 0.0  0.0  2.40
assign (resid 35 and name HN )  ( resid 35 and name HG* ) 0.0  0.0  3.97
assign (resid 35 and name HN )  ( resid 36 and name HN ) 0.0  0.0  4.17
assign (resid 35 and name HA )  ( resid 35 and name HB ) 0.0  0.0  2.55
assign (resid 35 and name HA )  ( resid 35 and name HG1* ) 0.0  0.0  3.46
assign (resid 35 and name HA )  ( resid 35 and name HG2* ) 0.0  0.0  3.46
assign (resid 35 and name HA )  ( resid 36 and name HN ) 0.0  0.0  2.40
assign (resid 35 and name HA )  ( resid 37 and name HN ) 0.0  0.0  3.45
assign (resid 35 and name HB )  ( resid 36 and name HN ) 0.0  0.0  3.67
assign (resid 35 and name HG1* )  ( resid 36 and name HN ) 0.0  0.0  5.38
assign (resid 35 and name HG2* )  ( resid 36 and name HN ) 0.0  0.0  5.38
assign (resid 35 and name HG* )  ( resid 36 and name HN ) 0.0  0.0  4.35
assign (resid 35 and name HG* )  ( resid 36 and name HA* ) 0.0  0.0  7.67
assign (resid 35 and name HG* )  ( resid 37 and name HN ) 0.0  0.0  8.40
!  36 GLY     
assign (resid 36 and name HN )  ( resid 36 and name HA2 ) 0.0  0.0  2.65
assign (resid 36 and name HN )  ( resid 36 and name HA1 ) 0.0  0.0  2.65
assign (resid 36 and name HN )  ( resid 36 and name HA* ) 0.0  0.0  2.37
assign (resid 36 and name HN )  ( resid 37 and name HN ) 0.0  0.0  2.59
assign (resid 36 and name HA2 )  ( resid 37 and name HN ) 0.0  0.0  3.21
assign (resid 36 and name HA1 )  ( resid 37 and name HN ) 0.0  0.0  3.21
assign (resid 36 and name HA* )  ( resid 37 and name HN ) 0.0  0.0  2.93
assign (resid 36 and name HA* )  ( resid 38 and name HN ) 0.0  0.0  7.00
!  37 CYS     
assign (resid 37 and name HN )  ( resid 37 and name HA ) 0.0  0.0  2.62
assign (resid 37 and name HN )  ( resid 37 and name HB2 ) 0.0  0.0  3.02
assign (resid 37 and name HN )  ( resid 37 and name HB1 ) 0.0  0.0  3.02
assign (resid 37 and name HN )  ( resid 37 and name HB* ) 0.0  0.0  2.58
assign (resid 37 and name HN )  ( resid 38 and name HN ) 0.0  0.0  3.33
assign (resid 37 and name HA )  ( resid 37 and name HB2 ) 0.0  0.0  2.68
assign (resid 37 and name HA )  ( resid 37 and name HB1 ) 0.0  0.0  2.68
assign (resid 37 and name HA )  ( resid 37 and name HB* ) 0.0  0.0  2.40
assign (resid 37 and name HA )  ( resid 38 and name HN ) 0.0  0.0  3.61
assign (resid 37 and name HA )  ( resid 38 and name HG* ) 0.0  0.0  8.40
assign (resid 37 and name HB2 )  ( resid 38 and name HN ) 0.0  0.0  3.52
assign (resid 37 and name HB2 )  ( resid 39 and name HN ) 0.0  0.0  5.34
assign (resid 37 and name HB1 )  ( resid 38 and name HN ) 0.0  0.0  3.52
assign (resid 37 and name HB1 )  ( resid 39 and name HN ) 0.0  0.0  5.34
assign (resid 37 and name HB* )  ( resid 38 and name HN ) 0.0  0.0  3.12
!  38 VAL     
assign (resid 38 and name HN )  ( resid 38 and name HA ) 0.0  0.0  2.90
assign (resid 38 and name HN )  ( resid 38 and name HB ) 0.0  0.0  2.71
assign (resid 38 and name HN )  ( resid 39 and name HN ) 0.0  0.0  2.93
assign (resid 38 and name HA )  ( resid 39 and name HN ) 0.0  0.0  2.52
assign (resid 38 and name HB )  ( resid 39 and name HN ) 0.0  0.0  4.54
assign (resid 38 and name HG* )  ( resid 39 and name HN ) 0.0  0.0  6.72
!  39 ASN     
assign (resid 39 and name HN )  ( resid 39 and name HB* ) 0.0  0.0  7.00

! CALCIUM CONSTRAINTS

! CAX
   !assign  (  resid  40  and  name  CAX)  (  resid  23  and  name  O    )  0.00  0.00  2.30
    assign  (  resid  40  and  name  CAX)  (  resid  23  and  name  OD1  )  0.00  0.00  2.50
   !assign  (  resid  40  and  name  CAX)  (  resid  30  and  name  O    )  0.00  0.00  2.30
    assign  (  resid  40  and  name  CAX)  (  resid  27  and  name  OD1  )  0.00  0.00  2.50
    assign  (  resid  40  and  name  CAX)  (  resid  33  and  name  OD1  )  0.00  0.00  2.50
    assign  (  resid  40  and  name  CAX)  (  resid  34  and  name  OE1  )  0.00  0.00  2.50
   !assign  (  resid  40  and  name  CAX)  (  resid  34  and  name  OE2  )  0.00  0.00  2.50

! ANGLE CONSTRAINTS

! Phi constraints              
assign (resid 1  and name c ) (resid 2  and name n)    
 (resid 2  and name ca ) (resid 2  and name c) 1 -120 30 2
assign (resid 2  and name c ) (resid 3  and name n)    
 (resid 3  and name ca ) (resid 3  and name c) 1 -120 30 2
assign (resid 5  and name c ) (resid 6  and name n)    
 (resid 6  and name ca ) (resid 6  and name c) 1 -120 30 2
assign (resid 6  and name c ) (resid 7  and name n)    
 (resid 7  and name ca ) (resid 7  and name c) 1 -120 30 2
assign (resid 7  and name c ) (resid 8  and name n)    
 (resid 8  and name ca ) (resid 8  and name c) 1 -120 30 2
assign (resid 10  and name c ) (resid 11  and name n)    
 (resid 11  and name ca ) (resid 11  and name c) 1 -120 30 2
assign (resid 14  and name c ) (resid 15  and name n)    
 (resid 15  and name ca ) (resid 15  and name c) 1 -120 30 2
assign (resid 15  and name c ) (resid 16  and name n)    
 (resid 16  and name ca ) (resid 16  and name c) 1 -120 30 2
assign (resid 18  and name c ) (resid 19  and name n)    
 (resid 19  and name ca ) (resid 19  and name c) 1 -120 30 2
assign (resid 19  and name c ) (resid 20  and name n)    
 (resid 20  and name ca ) (resid 20  and name c) 1 -120 30 2
assign (resid 22  and name c ) (resid 23  and name n)    
 (resid 23  and name ca ) (resid 23  and name c) 1 -120 30 2
assign (resid 24  and name c ) (resid 25  and name n)    
 (resid 25  and name ca ) (resid 25  and name c) 1 -120 30 2
assign (resid 27  and name c ) (resid 28  and name n)    
 (resid 28  and name ca ) (resid 28  and name c) 1 -120 30 2
assign (resid 29  and name c ) (resid 30  and name n)    
 (resid 30  and name ca ) (resid 30  and name c) 1 -120 30 2
assign (resid 32  and name c ) (resid 33  and name n)    
 (resid 33  and name ca ) (resid 33  and name c) 1 -120 30 2
assign (resid 33  and name c ) (resid 34  and name n)    
 (resid 34  and name ca ) (resid 34  and name c) 1 -120 30 2
assign (resid 34  and name c ) (resid 35  and name n)    
 (resid 35  and name ca ) (resid 35  and name c) 1 -120 30 2
assign (resid 37  and name c ) (resid 38  and name n)    
 (resid 38  and name ca ) (resid 38  and name c) 1 -120 30 2
! Chi constraints              
assign (resid 3  and name n ) (resid 3  and name ca)    
 (resid 3  and name cb ) (resid 3  and name sg) 1 -60 30 2
assign (resid 4  and name n ) (resid 4  and name ca)    
 (resid 4  and name cb ) (resid 4  and name cg) 1 -60 30 2
assign (resid 6  and name n ) (resid 6  and name ca)    
 (resid 6  and name cb ) (resid 6  and name cg) 1 60 30 2
assign (resid 9  and name n ) (resid 9  and name ca)    
 (resid 9  and name cb ) (resid 9  and name cg) 1 180 30 2
assign (resid 12  and name n ) (resid 12  and name ca)    
 (resid 12  and name cb ) (resid 12  and name cg) 1 60 30 2
assign (resid 14  and name n ) (resid 14  and name ca)    
 (resid 14  and name cb ) (resid 14  and name cg) 1 180 30 2
assign (resid 15  and name n ) (resid 15  and name ca)    
 (resid 15  and name cb ) (resid 15  and name sg) 1 -60 30 2
assign (resid 20  and name n ) (resid 20  and name ca)    
 (resid 20  and name cb ) (resid 20  and name cg) 1 -60 30 2
assign (resid 21  and name n ) (resid 21  and name ca)    
 (resid 21  and name cb ) (resid 21  and name cg) 1 180 30 2
assign (resid 22  and name n ) (resid 22  and name ca)    
 (resid 22  and name cb ) (resid 22  and name sg) 1 -60 30 2
assign (resid 27  and name n ) (resid 27  and name ca)    
 (resid 27  and name cb ) (resid 27  and name cg) 1 -60 30 2
assign (resid 28  and name n ) (resid 28  and name ca)    
 (resid 28  and name cb ) (resid 28  and name sg) 1 -60 30 2
assign (resid 34  and name n ) (resid 34  and name ca)    
 (resid 34  and name cb ) (resid 34  and name cg) 1 -60 30 2
assign (resid 35  and name n ) (resid 35  and name ca)    
 (resid 35  and name cb ) (resid 35  and name cg) 1 180 30 2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   1           H        ALA   1   1.471  -1.011  -2.265
    2    HA   ALA   1           HA       ALA   1   2.578   0.464  -0.537
    3   1HB   ALA   1          1HB       ALA   1   2.144  -1.008   1.403
    4   2HB   ALA   1          2HB       ALA   1   2.219  -2.429   0.370
    5   3HB   ALA   1          3HB       ALA   1   0.910  -1.273   0.183
    6    H    THR   2           H        THR   2   4.639  -0.779  -2.330
    7    HA   THR   2           HA       THR   2   6.782  -1.615  -0.461
    8    HB   THR   2           HB       THR   2   7.409  -1.149  -3.365
    9    HG1  THR   2           HG1      THR   2   5.271  -1.984  -3.388
   10   1HG2  THR   2          1HG2      THR   2   9.008  -2.401  -1.886
   11   2HG2  THR   2          2HG2      THR   2   8.348  -3.485  -3.097
   12   3HG2  THR   2          3HG2      THR   2   7.733  -3.532  -1.452
   13    H    CYS   3           H        CYS   3   8.973  -0.665  -1.031
   14    HA   CYS   3           HA       CYS   3   8.934   2.146  -0.499
   15   1HB   CYS   3          2HB       CYS   3  11.247   0.528  -0.752
   16   2HB   CYS   3          1HB       CYS   3  10.845   1.769   0.391
   17    H    ARG   4           H        ARG   4  10.816   3.372  -1.406
   18    HA   ARG   4           HA       ARG   4  10.571   3.703  -4.172
   19   1HB   ARG   4          2HB       ARG   4  11.927   4.796  -1.907
   20   2HB   ARG   4          1HB       ARG   4  12.590   5.239  -3.420
   21   1HG   ARG   4          2HG       ARG   4   9.860   5.655  -3.812
   22   2HG   ARG   4          1HG       ARG   4  10.010   5.921  -2.086
   23   1HD   ARG   4          2HD       ARG   4  11.848   7.595  -2.530
   24   2HD   ARG   4          1HD       ARG   4  11.592   7.389  -4.259
   25    HE   ARG   4           HE       ARG   4   9.891   8.876  -2.418
   26   1HH1  ARG   4          1HH2      ARG   4  10.022   7.122  -5.409
   27   2HH1  ARG   4          2HH2      ARG   4   8.651   7.942  -6.075
   28   1HH2  ARG   4          2HH1      ARG   4   8.157   9.921  -3.246
   29   2HH2  ARG   4          1HH1      ARG   4   7.578   9.546  -4.835
   30    HA   PRO   5           HA       PRO   5  13.973   1.321  -5.647
   31   1HB   PRO   5          2HB       PRO   5  15.198   3.155  -7.464
   32   2HB   PRO   5          1HB       PRO   5  13.923   2.007  -7.852
   33   1HG   PRO   5          2HG       PRO   5  13.723   4.920  -7.522
   34   2HG   PRO   5          1HG       PRO   5  12.535   3.812  -8.193
   35   1HD   PRO   5          2HD       PRO   5  12.460   5.069  -5.605
   36   2HD   PRO   5          1HD       PRO   5  11.330   3.856  -6.231
   37    H    ASP   6           H        ASP   6  14.527   4.335  -4.474
   38    HA   ASP   6           HA       ASP   6  17.358   4.102  -3.964
   39   1HB   ASP   6          2HB       ASP   6  17.085   6.366  -3.042
   40   2HB   ASP   6          1HB       ASP   6  16.561   6.215  -4.708
   41    H    GLU   7           H        GLU   7  14.457   3.364  -2.421
   42    HA   GLU   7           HA       GLU   7  15.431   3.640   0.292
   43   1HB   GLU   7          2HB       GLU   7  12.828   3.161  -1.045
   44   2HB   GLU   7          1HB       GLU   7  12.999   2.307   0.471
   45   1HG   GLU   7          2HG       GLU   7  13.853   4.366   1.451
   46   2HG   GLU   7          1HG       GLU   7  13.418   5.233   0.039
   47    H    PHE   8           H        PHE   8  14.949   2.090   1.743
   48    HA   PHE   8           HA       PHE   8  15.670  -0.669   1.055
   49   1HB   PHE   8          2HB       PHE   8  17.430   0.567   2.151
   50   2HB   PHE   8          1HB       PHE   8  16.421   0.862   3.569
   51    HD1  PHE   8           HD1      PHE   8  16.568  -0.650   5.350
   52    HD2  PHE   8           HD2      PHE   8  17.583  -2.048   1.452
   53    HE1  PHE   8           HE1      PHE   8  17.173  -2.826   6.282
   54    HE2  PHE   8           HE2      PHE   8  18.183  -4.230   2.398
   55    HZ   PHE   8           HZ       PHE   8  17.978  -4.626   4.817
   56    H    GLN   9           H        GLN   9  14.558  -2.231   2.036
   57    HA   GLN   9           HA       GLN   9  12.221  -1.424   3.673
   58   1HB   GLN   9          2HB       GLN   9  11.973  -2.243   1.503
   59   2HB   GLN   9          1HB       GLN   9  12.639  -3.794   1.942
   60   1HG   GLN   9          2HG       GLN   9  10.713  -4.092   3.599
   61   2HG   GLN   9          1HG       GLN   9  10.118  -2.491   3.183
   62   1HE2  GLN   9          1HE2      GLN   9   9.841  -5.787   2.414
   63   2HE2  GLN   9          2HE2      GLN   9   9.021  -5.619   0.937
   64    H    CYS  10           H        CYS  10  11.798  -2.225   5.455
   65    HA   CYS  10           HA       CYS  10  13.590  -3.724   7.017
   66   1HB   CYS  10          2HB       CYS  10  10.914  -2.557   7.418
   67   2HB   CYS  10          1HB       CYS  10  11.832  -3.275   8.637
   68    H    SER  11           H        SER  11  12.405  -5.259   8.553
   69    HA   SER  11           HA       SER  11  11.399  -7.479   6.995
   70   1HB   SER  11          2HB       SER  11  13.210  -7.784   8.760
   71   2HB   SER  11          1HB       SER  11  12.002  -7.384   9.990
   72    HG   SER  11           HG       SER  11  11.768  -9.415   8.023
   73    H    ASP  12           H        ASP  12  10.311  -5.035   9.248
   74    HA   ASP  12           HA       ASP  12   7.828  -6.294   9.850
   75   1HB   ASP  12          2HB       ASP  12   7.655  -4.298  11.226
   76   2HB   ASP  12          1HB       ASP  12   9.146  -5.185  11.499
   77    H    GLY  13           H        GLY  13   8.797  -5.204   7.122
   78   1HA   GLY  13          2HA       GLY  13   7.717  -4.569   5.221
   79   2HA   GLY  13          1HA       GLY  13   6.288  -4.319   6.182
   80    H    ASN  14           H        ASN  14   8.393  -2.420   7.758
   81    HA   ASN  14           HA       ASN  14   7.445  -0.016   6.487
   82   1HB   ASN  14          2HB       ASN  14   7.739  -0.158   8.894
   83   2HB   ASN  14          1HB       ASN  14   9.459  -0.453   8.678
   84   1HD2  ASN  14          1HD2      ASN  14   6.911   1.998   8.213
   85   2HD2  ASN  14          2HD2      ASN  14   7.955   3.337   8.225
   86    H    CYS  15           H        CYS  15   9.062   1.723   5.926
   87    HA   CYS  15           HA       CYS  15  11.498   0.626   4.579
   88   1HB   CYS  15          2HB       CYS  15   9.869   2.714   3.397
   89   2HB   CYS  15          1HB       CYS  15  11.140   1.794   2.657
   90    H    ILE  16           H        ILE  16  13.265   1.964   4.450
   91    HA   ILE  16           HA       ILE  16  13.171   4.659   5.597
   92    HB   ILE  16           HB       ILE  16  15.333   4.206   6.607
   93   1HG1  ILE  16          2HG1      ILE  16  15.051   1.221   5.880
   94   2HG1  ILE  16          1HG1      ILE  16  15.866   2.337   4.831
   95   1HG2  ILE  16          1HG2      ILE  16  13.456   3.778   8.071
   96   2HG2  ILE  16          2HG2      ILE  16  14.690   2.563   8.360
   97   3HG2  ILE  16          3HG2      ILE  16  13.266   2.145   7.428
   98   1HD1  ILE  16          1HD1      ILE  16  17.590   2.667   6.075
   99   2HD1  ILE  16          2HD1      ILE  16  17.183   1.068   6.692
  100   3HD1  ILE  16          3HD1      ILE  16  16.752   2.517   7.610
  101    H    HIS  17           H        HIS  17  15.024   5.929   4.726
  102    HA   HIS  17           HA       HIS  17  15.364   5.478   1.896
  103   1HB   HIS  17          2HB       HIS  17  15.332   7.666   3.017
  104   2HB   HIS  17          1HB       HIS  17  16.942   7.220   3.563
  105    HD1  HIS  17           HD1      HIS  17  15.262   7.184   0.178
  106    HD2  HIS  17           HD2      HIS  17  18.831   8.227   1.849
  107    HE1  HIS  17           HE1      HIS  17  16.678   8.025  -1.661
  108    H    GLY  18           H        GLY  18  17.400   5.023   0.820
  109   1HA   GLY  18          2HA       GLY  18  18.831   2.924   1.796
  110   2HA   GLY  18          1HA       GLY  18  19.411   3.983   0.519
  111    H    SER  19           H        SER  19  19.178   6.283   2.512
  112    HA   SER  19           HA       SER  19  21.850   6.093   3.549
  113   1HB   SER  19          2HB       SER  19  21.005   8.127   2.269
  114   2HB   SER  19          1HB       SER  19  20.012   8.517   3.687
  115    HG   SER  19           HG       SER  19  22.177   9.427   3.658
  116    H    ARG  20           H        ARG  20  18.732   5.624   4.773
  117    HA   ARG  20           HA       ARG  20  19.226   6.431   7.480
  118   1HB   ARG  20          2HB       ARG  20  17.088   5.598   5.834
  119   2HB   ARG  20          1HB       ARG  20  16.947   5.172   7.510
  120   1HG   ARG  20          2HG       ARG  20  17.730   7.997   6.738
  121   2HG   ARG  20          1HG       ARG  20  16.055   7.532   6.532
  122   1HD   ARG  20          2HD       ARG  20  15.717   7.161   8.846
  123   2HD   ARG  20          1HD       ARG  20  17.434   6.978   9.185
  124    HE   ARG  20           HE       ARG  20  15.957   9.471   9.079
  125   1HH1  ARG  20          2HH1      ARG  20  19.053   8.012   8.559
  126   2HH1  ARG  20          1HH1      ARG  20  19.919   9.483   8.847
  127   1HH2  ARG  20          1HH2      ARG  20  17.031  11.342   9.441
  128   2HH2  ARG  20          2HH2      ARG  20  18.760  11.393   9.357
  129    H    GLN  21           H        GLN  21  19.891   3.841   5.589
  130    HA   GLN  21           HA       GLN  21  19.678   1.771   7.594
  131   1HB   GLN  21          2HB       GLN  21  19.047   1.494   5.146
  132   2HB   GLN  21          1HB       GLN  21  20.730   1.688   4.770
  133   1HG   GLN  21          2HG       GLN  21  20.926  -0.344   6.639
  134   2HG   GLN  21          1HG       GLN  21  19.300  -0.645   6.054
  135   1HE2  GLN  21          1HE2      GLN  21  19.714  -2.529   4.859
  136   2HE2  GLN  21          2HE2      GLN  21  20.747  -2.584   3.513
  137    H    CYS  22           H        CYS  22  21.414   0.878   8.603
  138    HA   CYS  22           HA       CYS  22  23.584   0.590   9.418
  139   1HB   CYS  22          2HB       CYS  22  24.782   1.755   7.027
  140   2HB   CYS  22          1HB       CYS  22  25.290   0.370   7.923
  141    H    ASP  23           H        ASP  23  22.590   2.553  10.499
  142    HA   ASP  23           HA       ASP  23  24.832   4.412  11.025
  143   1HB   ASP  23          2HB       ASP  23  22.916   6.302  11.077
  144   2HB   ASP  23          1HB       ASP  23  23.727   5.917   9.576
  145    H    ARG  24           H        ARG  24  22.688   2.301  11.892
  146    HA   ARG  24           HA       ARG  24  21.626   1.523  13.670
  147   1HB   ARG  24          2HB       ARG  24  22.865   1.465  15.565
  148   2HB   ARG  24          1HB       ARG  24  24.035   1.623  14.288
  149   1HG   ARG  24          2HG       ARG  24  24.713   3.780  14.923
  150   2HG   ARG  24          1HG       ARG  24  23.206   4.173  15.717
  151   1HD   ARG  24          2HD       ARG  24  24.463   3.790  17.606
  152   2HD   ARG  24          1HD       ARG  24  24.029   2.114  17.337
  153    HE   ARG  24           HE       ARG  24  26.646   3.364  16.831
  154   1HH1  ARG  24          1HH2      ARG  24  24.578   0.619  16.314
  155   2HH1  ARG  24          2HH2      ARG  24  25.899  -0.431  15.935
  156   1HH2  ARG  24          2HH1      ARG  24  28.311   2.047  16.354
  157   2HH2  ARG  24          1HH1      ARG  24  28.038   0.381  15.960
  158    H    GLU  25           H        GLU  25  20.670   3.957  12.676
  159    HA   GLU  25           HA       GLU  25  19.572   5.361  15.062
  160   1HB   GLU  25          2HB       GLU  25  19.039   5.881  12.106
  161   2HB   GLU  25          1HB       GLU  25  18.561   6.947  13.411
  162   1HG   GLU  25          2HG       GLU  25  20.744   7.711  13.822
  163   2HG   GLU  25          1HG       GLU  25  21.496   6.323  13.072
  164    H    TYR  26           H        TYR  26  19.033   2.901  14.713
  165    HA   TYR  26           HA       TYR  26  17.252   1.313  13.926
  166   1HB   TYR  26          2HB       TYR  26  17.906   0.920  16.122
  167   2HB   TYR  26          1HB       TYR  26  17.373   2.476  16.702
  168    HD1  TYR  26           HD1      TYR  26  15.237   2.712  17.751
  169    HD2  TYR  26           HD2      TYR  26  16.174  -0.884  15.689
  170    HE1  TYR  26           HE1      TYR  26  13.251   1.649  18.706
  171    HE2  TYR  26           HE2      TYR  26  14.190  -1.952  16.643
  172    HH   TYR  26           HH       TYR  26  11.710  -0.260  18.096
  173    H    ASP  27           H        ASP  27  16.116   2.632  12.236
  174    HA   ASP  27           HA       ASP  27  14.086   4.374  12.849
  175   1HB   ASP  27          2HB       ASP  27  14.724   2.767  10.387
  176   2HB   ASP  27          1HB       ASP  27  13.649   4.131  10.418
  177    H    CYS  28           H        CYS  28  14.167   1.168  11.898
  178    HA   CYS  28           HA       CYS  28  11.253   0.745  12.141
  179   1HB   CYS  28          2HB       CYS  28  13.556  -0.752  10.990
  180   2HB   CYS  28          1HB       CYS  28  12.223  -1.695  11.542
  181    H    LYS  29           H        LYS  29  10.267  -0.471  13.629
  182    HA   LYS  29           HA       LYS  29  11.339  -0.653  16.181
  183   1HB   LYS  29          2HB       LYS  29   8.949  -2.104  14.981
  184   2HB   LYS  29          1HB       LYS  29   9.243  -1.996  16.704
  185   1HG   LYS  29          2HG       LYS  29   8.825   0.401  14.855
  186   2HG   LYS  29          1HG       LYS  29   7.601  -0.296  15.884
  187   1HD   LYS  29          2HD       LYS  29   8.293   1.259  17.408
  188   2HD   LYS  29          1HD       LYS  29   9.542   0.093  17.772
  189   1HE   LYS  29          2HE       LYS  29  11.190   1.455  16.956
  190   2HE   LYS  29          1HE       LYS  29  10.303   1.821  15.488
  191   1HZ   LYS  29          1HZ       LYS  29  10.777   3.563  17.427
  192   2HZ   LYS  29          2HZ       LYS  29   9.242   3.011  17.896
  193   3HZ   LYS  29          3HZ       LYS  29   9.469   3.676  16.350
  194    H    ASP  30           H        ASP  30  11.404  -2.800  13.646
  195    HA   ASP  30           HA       ASP  30  12.172  -5.133  15.143
  196   1HB   ASP  30          2HB       ASP  30  10.671  -5.107  13.217
  197   2HB   ASP  30          1HB       ASP  30  12.156  -4.853  12.291
  198    H    MET  31           H        MET  31  13.718  -2.518  14.184
  199    HA   MET  31           HA       MET  31  15.929  -1.840  13.776
  200   1HB   MET  31          2HB       MET  31  16.112  -3.331  15.940
  201   2HB   MET  31          1HB       MET  31  16.793  -4.551  14.888
  202   1HG   MET  31          2HG       MET  31  18.745  -3.402  14.564
  203   2HG   MET  31          1HG       MET  31  17.984  -1.840  14.602
  204   1HE   MET  31          1HE       MET  31  18.707  -4.898  16.841
  205   2HE   MET  31          2HE       MET  31  19.741  -4.194  18.065
  206   3HE   MET  31          3HE       MET  31  20.303  -4.246  16.398
  207    H    SER  32           H        SER  32  14.381  -3.733  11.947
  208    HA   SER  32           HA       SER  32  16.329  -5.247  10.504
  209   1HB   SER  32          2HB       SER  32  13.878  -5.838  10.569
  210   2HB   SER  32          1HB       SER  32  13.526  -4.356   9.667
  211    HG   SER  32           HG       SER  32  15.384  -6.329   8.831
  212    H    ASP  33           H        ASP  33  15.744  -1.990  10.641
  213    HA   ASP  33           HA       ASP  33  16.375  -1.374   7.867
  214   1HB   ASP  33          2HB       ASP  33  15.994   0.817   8.535
  215   2HB   ASP  33          1HB       ASP  33  14.771  -0.144   9.301
  216    H    GLU  34           H        GLU  34  17.908  -2.284  10.680
  217    HA   GLU  34           HA       GLU  34  20.468  -1.058   9.956
  218   1HB   GLU  34          2HB       GLU  34  18.979  -1.642  12.480
  219   2HB   GLU  34          1HB       GLU  34  20.711  -1.596  12.520
  220   1HG   GLU  34          2HG       GLU  34  18.756   0.619  11.746
  221   2HG   GLU  34          1HG       GLU  34  19.866   0.684  13.079
  222    H    VAL  35           H        VAL  35  19.183  -3.415   8.970
  223    HA   VAL  35           HA       VAL  35  21.164  -5.391   9.608
  224    HB   VAL  35           HB       VAL  35  18.616  -5.432  10.313
  225   1HG1  VAL  35          1HG1      VAL  35  18.795  -7.422   8.061
  226   2HG1  VAL  35          2HG1      VAL  35  17.990  -5.860   7.906
  227   3HG1  VAL  35          3HG1      VAL  35  17.386  -7.051   9.057
  228   1HG2  VAL  35          1HG2      VAL  35  20.445  -7.822   9.880
  229   2HG2  VAL  35          2HG2      VAL  35  19.011  -7.855  10.893
  230   3HG2  VAL  35          3HG2      VAL  35  20.362  -6.823  11.324
  231    H    GLY  36           H        GLY  36  21.091  -7.065   7.997
  232   1HA   GLY  36          2HA       GLY  36  21.540  -7.869   5.892
  233   2HA   GLY  36          1HA       GLY  36  20.287  -6.753   5.352
  234    H    CYS  37           H        CYS  37  22.541  -5.110   6.941
  235    HA   CYS  37           HA       CYS  37  23.539  -3.643   4.785
  236   1HB   CYS  37          2HB       CYS  37  23.217  -2.887   7.037
  237   2HB   CYS  37          1HB       CYS  37  24.699  -3.732   7.409
  238    H    VAL  38           H        VAL  38  25.382  -5.513   7.122
  239    HA   VAL  38           HA       VAL  38  27.209  -6.559   5.051
  240    HB   VAL  38           HB       VAL  38  28.036  -5.475   7.806
  241   1HG1  VAL  38          1HG1      VAL  38  30.373  -5.540   6.734
  242   2HG1  VAL  38          2HG1      VAL  38  29.659  -6.394   5.378
  243   3HG1  VAL  38          3HG1      VAL  38  29.665  -7.121   6.976
  244   1HG2  VAL  38          1HG2      VAL  38  27.356  -3.539   6.512
  245   2HG2  VAL  38          2HG2      VAL  38  28.209  -4.110   5.087
  246   3HG2  VAL  38          3HG2      VAL  38  29.107  -3.566   6.495
  247    H    ASN  39           H        ASN  39  25.091  -7.759   5.831
  248    HA   ASN  39           HA       ASN  39  25.729  -9.703   8.003
  249   1HB   ASN  39          2HB       ASN  39  23.134  -9.255   6.468
  250   2HB   ASN  39          1HB       ASN  39  23.334 -10.310   7.859
  251   1HD2  ASN  39          1HD2      ASN  39  22.786  -9.360   9.813
  252   2HD2  ASN  39          2HD2      ASN  39  22.785  -7.692  10.128
  Start of MODEL    2
    1    H    ALA   1           H        ALA   1   3.104   1.069  -2.183
    2    HA   ALA   1           HA       ALA   1   2.103  -0.337   0.123
    3   1HB   ALA   1          1HB       ALA   1   2.668  -1.991  -2.384
    4   2HB   ALA   1          2HB       ALA   1   1.086  -1.748  -1.660
    5   3HB   ALA   1          3HB       ALA   1   2.317  -2.652  -0.793
    6    H    THR   2           H        THR   2   4.527  -0.495  -2.446
    7    HA   THR   2           HA       THR   2   6.676  -1.208  -0.531
    8    HB   THR   2           HB       THR   2   7.336  -0.612  -3.412
    9    HG1  THR   2           HG1      THR   2   5.248  -1.642  -3.420
   10   1HG2  THR   2          1HG2      THR   2   8.993  -1.755  -1.894
   11   2HG2  THR   2          2HG2      THR   2   8.481  -2.845  -3.168
   12   3HG2  THR   2          3HG2      THR   2   7.816  -3.012  -1.551
   13    H    CYS   3           H        CYS   3   8.796  -0.061  -1.034
   14    HA   CYS   3           HA       CYS   3   8.521   2.718  -0.392
   15   1HB   CYS   3          2HB       CYS   3  10.964   1.313  -0.679
   16   2HB   CYS   3          1HB       CYS   3  10.429   2.447   0.527
   17    H    ARG   4           H        ARG   4  10.312   4.118  -1.272
   18    HA   ARG   4           HA       ARG   4   9.998   4.578  -3.992
   19   1HB   ARG   4          2HB       ARG   4  11.434   5.559  -1.727
   20   2HB   ARG   4          1HB       ARG   4  12.039   6.088  -3.238
   21   1HG   ARG   4          2HG       ARG   4   9.430   6.615  -3.649
   22   2HG   ARG   4          1HG       ARG   4   9.369   6.493  -1.899
   23   1HD   ARG   4          2HD       ARG   4  11.482   8.176  -2.041
   24   2HD   ARG   4          1HD       ARG   4  10.772   8.563  -3.601
   25    HE   ARG   4           HE       ARG   4   8.999   9.624  -2.494
   26   1HH1  ARG   4          1HH2      ARG   4  10.764   7.595  -0.305
   27   2HH1  ARG   4          2HH2      ARG   4   9.926   8.179   1.093
   28   1HH2  ARG   4          2HH1      ARG   4   7.924  10.375  -0.738
   29   2HH2  ARG   4          1HH1      ARG   4   8.292   9.773   0.845
   30    HA   PRO   5           HA       PRO   5  13.349   2.415  -5.855
   31   1HB   PRO   5          2HB       PRO   5  14.461   4.449  -7.533
   32   2HB   PRO   5          1HB       PRO   5  13.199   3.309  -7.975
   33   1HG   PRO   5          2HG       PRO   5  12.933   6.168  -7.390
   34   2HG   PRO   5          1HG       PRO   5  11.733   5.074  -8.062
   35   1HD   PRO   5          2HD       PRO   5  11.824   6.124  -5.381
   36   2HD   PRO   5          1HD       PRO   5  10.655   4.967  -6.041
   37    H    ASP   6           H        ASP   6  13.952   5.304  -4.400
   38    HA   ASP   6           HA       ASP   6  16.807   5.026  -4.071
   39   1HB   ASP   6          2HB       ASP   6  16.590   7.179  -2.895
   40   2HB   ASP   6          1HB       ASP   6  15.977   7.202  -4.539
   41    H    GLU   7           H        GLU   7  13.955   4.179  -2.483
   42    HA   GLU   7           HA       GLU   7  15.057   4.062   0.195
   43   1HB   GLU   7          2HB       GLU   7  12.393   3.868  -1.092
   44   2HB   GLU   7          1HB       GLU   7  12.576   2.809   0.284
   45   1HG   GLU   7          2HG       GLU   7  13.522   4.653   1.523
   46   2HG   GLU   7          1HG       GLU   7  13.127   5.748   0.255
   47    H    PHE   8           H        PHE   8  14.454   2.284   1.413
   48    HA   PHE   8           HA       PHE   8  14.948  -0.364   0.275
   49   1HB   PHE   8          2HB       PHE   8  16.936   0.703   1.173
   50   2HB   PHE   8          1HB       PHE   8  16.241   0.701   2.791
   51    HD1  PHE   8           HD1      PHE   8  15.989  -1.361   4.050
   52    HD2  PHE   8           HD2      PHE   8  17.572  -1.476   0.093
   53    HE1  PHE   8           HE1      PHE   8  16.715  -3.673   4.407
   54    HE2  PHE   8           HE2      PHE   8  18.295  -3.793   0.457
   55    HZ   PHE   8           HZ       PHE   8  17.868  -4.895   2.613
   56    H    GLN   9           H        GLN   9  14.040  -2.045   1.372
   57    HA   GLN   9           HA       GLN   9  12.056  -1.347   3.466
   58   1HB   GLN   9          2HB       GLN   9  11.374  -1.960   1.338
   59   2HB   GLN   9          1HB       GLN   9  12.089  -3.544   1.468
   60   1HG   GLN   9          2HG       GLN   9  10.480  -4.240   3.150
   61   2HG   GLN   9          1HG       GLN   9  10.114  -2.584   3.613
   62   1HE2  GLN   9          1HE2      GLN   9   9.593  -4.985   1.018
   63   2HE2  GLN   9          2HE2      GLN   9   8.189  -4.254   0.408
   64    H    CYS  10           H        CYS  10  12.014  -2.339   5.245
   65    HA   CYS  10           HA       CYS  10  14.149  -3.936   6.166
   66   1HB   CYS  10          2HB       CYS  10  11.657  -2.856   7.270
   67   2HB   CYS  10          1HB       CYS  10  12.636  -3.868   8.168
   68    H    SER  11           H        SER  11  13.264  -5.587   7.824
   69    HA   SER  11           HA       SER  11  12.186  -7.793   6.294
   70   1HB   SER  11          2HB       SER  11  14.231  -8.060   7.806
   71   2HB   SER  11          1HB       SER  11  13.169  -7.788   9.197
   72    HG   SER  11           HG       SER  11  11.904  -9.529   8.495
   73    H    ASP  12           H        ASP  12  11.293  -5.532   8.845
   74    HA   ASP  12           HA       ASP  12   8.939  -6.950   9.599
   75   1HB   ASP  12          2HB       ASP  12   8.918  -5.414  11.316
   76   2HB   ASP  12          1HB       ASP  12  10.589  -5.775  11.013
   77    H    GLY  13           H        GLY  13   9.588  -5.580   6.889
   78   1HA   GLY  13          2HA       GLY  13   8.375  -4.734   5.169
   79   2HA   GLY  13          1HA       GLY  13   6.989  -4.766   6.227
   80    H    ASN  14           H        ASN  14   9.120  -2.933   7.917
   81    HA   ASN  14           HA       ASN  14   7.834  -0.483   7.121
   82   1HB   ASN  14          2HB       ASN  14   8.292  -0.895   9.460
   83   2HB   ASN  14          1HB       ASN  14  10.011  -1.045   9.136
   84   1HD2  ASN  14          1HD2      ASN  14   7.286   1.255   9.189
   85   2HD2  ASN  14          2HD2      ASN  14   8.240   2.656   9.281
   86    H    CYS  15           H        CYS  15   8.719   1.132   5.819
   87    HA   CYS  15           HA       CYS  15  11.225   0.463   4.423
   88   1HB   CYS  15          2HB       CYS  15   9.527   2.793   4.064
   89   2HB   CYS  15          1HB       CYS  15  10.783   2.245   2.993
   90    H    ILE  16           H        ILE  16  12.921   1.895   4.161
   91    HA   ILE  16           HA       ILE  16  13.323   4.162   5.944
   92    HB   ILE  16           HB       ILE  16  15.545   3.307   6.501
   93   1HG1  ILE  16          2HG1      ILE  16  14.638   0.775   4.957
   94   2HG1  ILE  16          1HG1      ILE  16  15.818   1.924   4.408
   95   1HG2  ILE  16          1HG2      ILE  16  13.420   2.652   7.887
   96   2HG2  ILE  16          2HG2      ILE  16  14.895   1.762   8.194
   97   3HG2  ILE  16          3HG2      ILE  16  13.638   1.050   7.199
   98   1HD1  ILE  16          1HD1      ILE  16  17.093   1.374   6.568
   99   2HD1  ILE  16          2HD1      ILE  16  17.106   0.225   5.233
  100   3HD1  ILE  16          3HD1      ILE  16  16.043  -0.053   6.603
  101    H    HIS  17           H        HIS  17  15.184   5.433   5.083
  102    HA   HIS  17           HA       HIS  17  15.171   5.400   2.172
  103   1HB   HIS  17          2HB       HIS  17  15.159   7.428   3.553
  104   2HB   HIS  17          1HB       HIS  17  16.836   6.999   3.898
  105    HD1  HIS  17           HD1      HIS  17  18.483   7.395   1.935
  106    HD2  HIS  17           HD2      HIS  17  14.619   8.041   0.790
  107    HE1  HIS  17           HE1      HIS  17  18.584   8.367  -0.328
  108    H    GLY  18           H        GLY  18  17.157   5.110   0.922
  109   1HA   GLY  18          2HA       GLY  18  18.684   2.959   1.615
  110   2HA   GLY  18          1HA       GLY  18  19.176   4.145   0.408
  111    H    SER  19           H        SER  19  18.944   6.203   2.635
  112    HA   SER  19           HA       SER  19  21.666   6.104   3.530
  113   1HB   SER  19          2HB       SER  19  21.244   8.503   4.170
  114   2HB   SER  19          1HB       SER  19  20.723   8.188   2.508
  115    HG   SER  19           HG       SER  19  18.640   7.638   3.474
  116    H    ARG  20           H        ARG  20  18.553   5.466   4.833
  117    HA   ARG  20           HA       ARG  20  19.224   5.893   7.580
  118   1HB   ARG  20          2HB       ARG  20  16.983   5.194   5.968
  119   2HB   ARG  20          1HB       ARG  20  16.861   4.902   7.656
  120   1HG   ARG  20          2HG       ARG  20  17.220   7.539   6.160
  121   2HG   ARG  20          1HG       ARG  20  15.905   7.124   7.229
  122   1HD   ARG  20          2HD       ARG  20  17.148   8.555   8.627
  123   2HD   ARG  20          1HD       ARG  20  17.837   7.009   9.089
  124    HE   ARG  20           HE       ARG  20  19.853   7.650   8.111
  125   1HH1  ARG  20          1HH2      ARG  20  17.277   9.629   6.911
  126   2HH1  ARG  20          2HH2      ARG  20  18.342  10.686   6.045
  127   1HH2  ARG  20          2HH1      ARG  20  21.216   8.964   7.025
  128   2HH2  ARG  20          1HH1      ARG  20  20.608  10.304   6.109
  129    H    GLN  21           H        GLN  21  19.892   3.511   5.462
  130    HA   GLN  21           HA       GLN  21  19.492   1.298   7.292
  131   1HB   GLN  21          2HB       GLN  21  18.965   1.260   4.806
  132   2HB   GLN  21          1HB       GLN  21  20.680   1.372   4.524
  133   1HG   GLN  21          2HG       GLN  21  20.913  -0.752   6.040
  134   2HG   GLN  21          1HG       GLN  21  19.166  -0.888   5.948
  135   1HE2  GLN  21          1HE2      GLN  21  21.663  -2.399   4.721
  136   2HE2  GLN  21          2HE2      GLN  21  21.177  -2.652   3.114
  137    H    CYS  22           H        CYS  22  21.118   0.715   8.623
  138    HA   CYS  22           HA       CYS  22  23.227   0.375   9.546
  139   1HB   CYS  22          2HB       CYS  22  24.538   1.187   7.066
  140   2HB   CYS  22          1HB       CYS  22  25.036  -0.011   8.199
  141    H    ASP  23           H        ASP  23  22.352   2.423  10.475
  142    HA   ASP  23           HA       ASP  23  24.600   4.328  10.709
  143   1HB   ASP  23          2HB       ASP  23  22.576   6.198  10.688
  144   2HB   ASP  23          1HB       ASP  23  23.508   5.811   9.264
  145    H    ARG  24           H        ARG  24  22.709   2.274  11.953
  146    HA   ARG  24           HA       ARG  24  21.675   1.711  13.837
  147   1HB   ARG  24          2HB       ARG  24  23.044   1.875  15.682
  148   2HB   ARG  24          1HB       ARG  24  24.098   1.761  14.308
  149   1HG   ARG  24          2HG       ARG  24  23.484   4.574  15.155
  150   2HG   ARG  24          1HG       ARG  24  24.351   3.632  16.337
  151   1HD   ARG  24          2HD       ARG  24  25.383   3.462  13.514
  152   2HD   ARG  24          1HD       ARG  24  25.618   4.991  14.340
  153    HE   ARG  24           HE       ARG  24  26.922   2.458  14.972
  154   1HH1  ARG  24          1HH2      ARG  24  25.928   5.552  16.178
  155   2HH1  ARG  24          2HH2      ARG  24  27.119   5.572  17.433
  156   1HH2  ARG  24          2HH1      ARG  24  28.437   2.463  16.560
  157   2HH2  ARG  24          1HH1      ARG  24  28.556   3.800  17.655
  158    H    GLU  25           H        GLU  25  20.764   4.070  12.695
  159    HA   GLU  25           HA       GLU  25  19.655   5.603  15.008
  160   1HB   GLU  25          2HB       GLU  25  20.419   6.210  12.216
  161   2HB   GLU  25          1HB       GLU  25  18.805   6.795  12.552
  162   1HG   GLU  25          2HG       GLU  25  20.241   8.617  13.141
  163   2HG   GLU  25          1HG       GLU  25  19.805   7.900  14.681
  164    H    TYR  26           H        TYR  26  19.057   3.208  14.666
  165    HA   TYR  26           HA       TYR  26  17.381   1.611  13.791
  166   1HB   TYR  26          2HB       TYR  26  17.639   1.376  16.088
  167   2HB   TYR  26          1HB       TYR  26  17.112   2.998  16.448
  168    HD1  TYR  26           HD1      TYR  26  15.911  -0.410  15.631
  169    HD2  TYR  26           HD2      TYR  26  14.828   3.446  17.053
  170    HE1  TYR  26           HE1      TYR  26  13.741  -1.290  16.363
  171    HE2  TYR  26           HE2      TYR  26  12.663   2.572  17.782
  172    HH   TYR  26           HH       TYR  26  11.959  -0.812  17.823
  173    H    ASP  27           H        ASP  27  16.469   2.654  11.840
  174    HA   ASP  27           HA       ASP  27  14.444   4.515  12.024
  175   1HB   ASP  27          2HB       ASP  27  15.689   2.872   9.866
  176   2HB   ASP  27          1HB       ASP  27  14.294   3.845   9.532
  177    H    CYS  28           H        CYS  28  14.518   1.218  11.449
  178    HA   CYS  28           HA       CYS  28  11.583   0.958  11.154
  179   1HB   CYS  28          2HB       CYS  28  13.962  -0.801  10.745
  180   2HB   CYS  28          1HB       CYS  28  12.458  -1.573  11.091
  181    H    LYS  29           H        LYS  29  10.264   0.077  12.652
  182    HA   LYS  29           HA       LYS  29  10.980   0.238  15.334
  183   1HB   LYS  29          2HB       LYS  29   8.581  -0.226  13.786
  184   2HB   LYS  29          1HB       LYS  29   8.614  -1.418  15.061
  185   1HG   LYS  29          2HG       LYS  29   7.541   0.360  16.124
  186   2HG   LYS  29          1HG       LYS  29   9.188   0.603  16.651
  187   1HD   LYS  29          2HD       LYS  29   8.140   1.968  14.132
  188   2HD   LYS  29          1HD       LYS  29   7.828   2.649  15.713
  189   1HE   LYS  29          2HE       LYS  29  10.414   2.475  16.094
  190   2HE   LYS  29          1HE       LYS  29  10.508   2.270  14.350
  191   1HZ   LYS  29          1HZ       LYS  29   9.178   4.338  14.164
  192   2HZ   LYS  29          2HZ       LYS  29  10.742   4.537  14.799
  193   3HZ   LYS  29          3HZ       LYS  29   9.395   4.563  15.833
  194    H    ASP  30           H        ASP  30  11.533  -2.220  13.233
  195    HA   ASP  30           HA       ASP  30  11.765  -4.294  15.262
  196   1HB   ASP  30          2HB       ASP  30  10.391  -4.560  13.257
  197   2HB   ASP  30          1HB       ASP  30  11.952  -4.653  12.430
  198    H    MET  31           H        MET  31  13.612  -2.008  14.156
  199    HA   MET  31           HA       MET  31  15.875  -1.575  13.843
  200   1HB   MET  31          2HB       MET  31  15.739  -2.871  16.142
  201   2HB   MET  31          1HB       MET  31  16.448  -4.211  15.268
  202   1HG   MET  31          2HG       MET  31  18.473  -3.150  15.006
  203   2HG   MET  31          1HG       MET  31  17.780  -1.558  14.932
  204   1HE   MET  31          1HE       MET  31  19.423  -3.755  18.519
  205   2HE   MET  31          2HE       MET  31  19.897  -3.913  16.836
  206   3HE   MET  31          3HE       MET  31  18.335  -4.553  17.400
  207    H    SER  32           H        SER  32  14.353  -3.514  12.037
  208    HA   SER  32           HA       SER  32  16.312  -5.288  10.944
  209   1HB   SER  32          2HB       SER  32  13.616  -4.283   9.919
  210   2HB   SER  32          1HB       SER  32  14.535  -5.578   9.122
  211    HG   SER  32           HG       SER  32  14.571  -6.635  11.174
  212    H    ASP  33           H        ASP  33  16.025  -2.002  10.749
  213    HA   ASP  33           HA       ASP  33  17.002  -1.685   8.027
  214   1HB   ASP  33          2HB       ASP  33  16.727   0.590   8.471
  215   2HB   ASP  33          1HB       ASP  33  15.364  -0.210   9.192
  216    H    GLU  34           H        GLU  34  18.095  -2.425  11.090
  217    HA   GLU  34           HA       GLU  34  20.839  -1.548  10.608
  218   1HB   GLU  34          2HB       GLU  34  19.019  -1.799  12.972
  219   2HB   GLU  34          1HB       GLU  34  20.734  -1.777  13.197
  220   1HG   GLU  34          2HG       GLU  34  18.875   0.401  12.152
  221   2HG   GLU  34          1HG       GLU  34  20.001   0.565  13.457
  222    H    VAL  35           H        VAL  35  19.421  -3.877   9.702
  223    HA   VAL  35           HA       VAL  35  21.146  -5.926  10.731
  224    HB   VAL  35           HB       VAL  35  18.543  -5.669  11.196
  225   1HG1  VAL  35          1HG1      VAL  35  18.015  -6.479   8.906
  226   2HG1  VAL  35          2HG1      VAL  35  17.371  -7.542  10.159
  227   3HG1  VAL  35          3HG1      VAL  35  18.839  -7.991   9.292
  228   1HG2  VAL  35          1HG2      VAL  35  18.722  -7.958  12.244
  229   2HG2  VAL  35          2HG2      VAL  35  20.087  -6.921  12.616
  230   3HG2  VAL  35          3HG2      VAL  35  20.246  -8.174  11.393
  231    H    GLY  36           H        GLY  36  21.215  -7.691   9.392
  232   1HA   GLY  36          2HA       GLY  36  21.906  -8.764   7.456
  233   2HA   GLY  36          1HA       GLY  36  20.526  -7.938   6.730
  234    H    CYS  37           H        CYS  37  22.648  -5.884   8.069
  235    HA   CYS  37           HA       CYS  37  23.435  -4.606   5.700
  236   1HB   CYS  37          2HB       CYS  37  22.993  -3.495   7.718
  237   2HB   CYS  37          1HB       CYS  37  24.443  -4.207   8.366
  238    H    VAL  38           H        VAL  38  25.554  -5.718   8.273
  239    HA   VAL  38           HA       VAL  38  27.513  -6.792   6.326
  240    HB   VAL  38           HB       VAL  38  28.163  -5.482   9.030
  241   1HG1  VAL  38          1HG1      VAL  38  30.461  -5.333   8.129
  242   2HG1  VAL  38          2HG1      VAL  38  29.933  -5.972   6.582
  243   3HG1  VAL  38          3HG1      VAL  38  29.922  -6.996   8.008
  244   1HG2  VAL  38          1HG2      VAL  38  27.214  -3.671   7.767
  245   2HG2  VAL  38          2HG2      VAL  38  28.014  -4.174   6.285
  246   3HG2  VAL  38          3HG2      VAL  38  28.948  -3.484   7.602
  247    H    ASN  39           H        ASN  39  25.531  -8.192   7.122
  248    HA   ASN  39           HA       ASN  39  26.649 -10.155   9.089
  249   1HB   ASN  39          2HB       ASN  39  23.652  -9.722   8.869
  250   2HB   ASN  39          1HB       ASN  39  24.571 -10.389  10.207
  251   1HD2  ASN  39          1HD2      ASN  39  23.419  -7.427   8.740
  252   2HD2  ASN  39          2HD2      ASN  39  23.956  -6.380   9.962
  Start of MODEL    3
    1    H    ALA   1           H        ALA   1   3.662  -0.199  -2.730
    2    HA   ALA   1           HA       ALA   1   2.670  -1.067  -0.170
    3   1HB   ALA   1          1HB       ALA   1   1.653  -2.832  -1.599
    4   2HB   ALA   1          2HB       ALA   1   2.876  -3.519  -0.543
    5   3HB   ALA   1          3HB       ALA   1   3.238  -3.235  -2.240
    6    H    THR   2           H        THR   2   5.117  -1.396  -2.664
    7    HA   THR   2           HA       THR   2   7.254  -1.983  -0.699
    8    HB   THR   2           HB       THR   2   7.961  -1.436  -3.571
    9    HG1  THR   2           HG1      THR   2   5.925  -2.485  -3.696
   10   1HG2  THR   2          1HG2      THR   2   9.560  -2.549  -1.912
   11   2HG2  THR   2          2HG2      THR   2   9.185  -3.599  -3.266
   12   3HG2  THR   2          3HG2      THR   2   8.396  -3.849  -1.717
   13    H    CYS   3           H        CYS   3   9.336  -0.776  -1.175
   14    HA   CYS   3           HA       CYS   3   8.948   2.010  -0.637
   15   1HB   CYS   3          2HB       CYS   3  11.441   0.667  -0.780
   16   2HB   CYS   3          1HB       CYS   3  10.831   1.837   0.353
   17    H    ARG   4           H        ARG   4  10.732   3.441  -1.459
   18    HA   ARG   4           HA       ARG   4  10.549   3.803  -4.224
   19   1HB   ARG   4          2HB       ARG   4  11.748   4.954  -1.900
   20   2HB   ARG   4          1HB       ARG   4  12.409   5.492  -3.378
   21   1HG   ARG   4          2HG       ARG   4   9.641   5.659  -3.833
   22   2HG   ARG   4          1HG       ARG   4   9.746   5.940  -2.107
   23   1HD   ARG   4          2HD       ARG   4   9.900   8.120  -3.144
   24   2HD   ARG   4          1HD       ARG   4  11.541   7.721  -2.639
   25    HE   ARG   4           HE       ARG   4  11.044   6.789  -5.322
   26   1HH1  ARG   4          1HH2      ARG   4  11.680   9.624  -3.440
   27   2HH1  ARG   4          2HH2      ARG   4  12.421  10.471  -4.757
   28   1HH2  ARG   4          2HH1      ARG   4  11.974   7.834  -7.001
   29   2HH2  ARG   4          1HH1      ARG   4  12.589   9.443  -6.807
   30    HA   PRO   5           HA       PRO   5  14.177   1.775  -5.672
   31   1HB   PRO   5          2HB       PRO   5  15.357   3.786  -7.329
   32   2HB   PRO   5          1HB       PRO   5  14.199   2.569  -7.838
   33   1HG   PRO   5          2HG       PRO   5  13.751   5.435  -7.410
   34   2HG   PRO   5          1HG       PRO   5  12.671   4.261  -8.146
   35   1HD   PRO   5          2HD       PRO   5  12.464   5.421  -5.515
   36   2HD   PRO   5          1HD       PRO   5  11.401   4.193  -6.227
   37    H    ASP   6           H        ASP   6  14.512   4.763  -4.339
   38    HA   ASP   6           HA       ASP   6  17.328   4.635  -3.714
   39   1HB   ASP   6          2HB       ASP   6  16.922   6.845  -2.718
   40   2HB   ASP   6          1HB       ASP   6  16.450   6.746  -4.405
   41    H    GLU   7           H        GLU   7  14.418   3.658  -2.350
   42    HA   GLU   7           HA       GLU   7  15.237   3.879   0.419
   43   1HB   GLU   7          2HB       GLU   7  12.745   3.313  -1.067
   44   2HB   GLU   7          1HB       GLU   7  12.897   2.398   0.419
   45   1HG   GLU   7          2HG       GLU   7  13.583   4.461   1.522
   46   2HG   GLU   7          1HG       GLU   7  13.162   5.362   0.130
   47    H    PHE   8           H        PHE   8  14.840   2.271   1.811
   48    HA   PHE   8           HA       PHE   8  15.690  -0.435   1.042
   49   1HB   PHE   8          2HB       PHE   8  17.423   0.871   2.083
   50   2HB   PHE   8          1HB       PHE   8  16.483   1.063   3.560
   51    HD1  PHE   8           HD1      PHE   8  18.277  -1.425   1.455
   52    HD2  PHE   8           HD2      PHE   8  16.213  -0.762   5.126
   53    HE1  PHE   8           HE1      PHE   8  19.058  -3.596   2.295
   54    HE2  PHE   8           HE2      PHE   8  16.996  -2.930   5.956
   55    HZ   PHE   8           HZ       PHE   8  18.419  -4.351   4.545
   56    H    GLN   9           H        GLN   9  14.660  -2.059   1.978
   57    HA   GLN   9           HA       GLN   9  12.389  -1.416   3.776
   58   1HB   GLN   9          2HB       GLN   9  12.036  -2.156   1.588
   59   2HB   GLN   9          1HB       GLN   9  12.800  -3.685   1.914
   60   1HG   GLN   9          2HG       GLN   9  10.987  -4.432   3.295
   61   2HG   GLN   9          1HG       GLN   9  10.544  -2.800   3.770
   62   1HE2  GLN   9          1HE2      GLN   9  10.784  -4.547   0.613
   63   2HE2  GLN   9          2HE2      GLN   9   9.249  -4.065   0.072
   64    H    CYS  10           H        CYS  10  11.981  -2.423   5.521
   65    HA   CYS  10           HA       CYS  10  13.953  -3.945   6.880
   66   1HB   CYS  10          2HB       CYS  10  11.303  -2.846   7.514
   67   2HB   CYS  10          1HB       CYS  10  12.275  -3.651   8.632
   68    H    SER  11           H        SER  11  12.726  -5.529   8.415
   69    HA   SER  11           HA       SER  11  11.864  -7.726   6.741
   70   1HB   SER  11          2HB       SER  11  13.590  -8.026   8.591
   71   2HB   SER  11          1HB       SER  11  12.300  -7.726   9.763
   72    HG   SER  11           HG       SER  11  11.125  -9.421   8.736
   73    H    ASP  12           H        ASP  12  10.560  -5.439   9.099
   74    HA   ASP  12           HA       ASP  12   8.083  -6.815   9.383
   75   1HB   ASP  12          2HB       ASP  12   7.717  -5.184  11.005
   76   2HB   ASP  12          1HB       ASP  12   9.370  -5.694  11.146
   77    H    GLY  13           H        GLY  13   9.249  -5.526   6.846
   78   1HA   GLY  13          2HA       GLY  13   8.434  -4.621   4.928
   79   2HA   GLY  13          1HA       GLY  13   6.863  -4.637   5.687
   80    H    ASN  14           H        ASN  14   8.817  -2.871   7.720
   81    HA   ASN  14           HA       ASN  14   7.674  -0.382   6.819
   82   1HB   ASN  14          2HB       ASN  14   7.781  -0.778   9.188
   83   2HB   ASN  14          1HB       ASN  14   9.504  -1.105   9.110
   84   1HD2  ASN  14          1HD2      ASN  14   9.790   0.601  10.739
   85   2HD2  ASN  14          2HD2      ASN  14   9.750   2.237  10.290
   86    H    CYS  15           H        CYS  15   8.645   0.931   5.366
   87    HA   CYS  15           HA       CYS  15  11.419   0.389   4.563
   88   1HB   CYS  15          2HB       CYS  15   9.725   2.498   3.513
   89   2HB   CYS  15          1HB       CYS  15  11.086   1.731   2.751
   90    H    ILE  16           H        ILE  16  13.043   1.934   4.434
   91    HA   ILE  16           HA       ILE  16  12.864   4.457   5.898
   92    HB   ILE  16           HB       ILE  16  15.070   3.987   6.802
   93   1HG1  ILE  16          2HG1      ILE  16  14.905   1.090   5.767
   94   2HG1  ILE  16          1HG1      ILE  16  15.576   2.333   4.776
   95   1HG2  ILE  16          1HG2      ILE  16  14.570   2.192   8.399
   96   2HG2  ILE  16          2HG2      ILE  16  13.210   1.674   7.423
   97   3HG2  ILE  16          3HG2      ILE  16  13.191   3.259   8.200
   98   1HD1  ILE  16          1HD1      ILE  16  17.101   0.996   6.432
   99   2HD1  ILE  16          2HD1      ILE  16  16.690   2.375   7.460
  100   3HD1  ILE  16          3HD1      ILE  16  17.394   2.641   5.872
  101    H    HIS  17           H        HIS  17  14.683   5.862   5.098
  102    HA   HIS  17           HA       HIS  17  14.891   5.675   2.221
  103   1HB   HIS  17          2HB       HIS  17  14.813   7.750   3.556
  104   2HB   HIS  17          1HB       HIS  17  16.485   7.344   3.947
  105    HD1  HIS  17           HD1      HIS  17  18.166   7.608   1.982
  106    HD2  HIS  17           HD2      HIS  17  14.342   8.426   0.816
  107    HE1  HIS  17           HE1      HIS  17  18.323   8.584  -0.275
  108    H    GLY  18           H        GLY  18  16.975   5.470   1.048
  109   1HA   GLY  18          2HA       GLY  18  18.488   3.318   1.785
  110   2HA   GLY  18          1HA       GLY  18  18.987   4.507   0.592
  111    H    SER  19           H        SER  19  18.651   6.536   2.853
  112    HA   SER  19           HA       SER  19  21.374   6.520   3.737
  113   1HB   SER  19          2HB       SER  19  20.780   8.894   4.499
  114   2HB   SER  19          1HB       SER  19  20.466   8.599   2.783
  115    HG   SER  19           HG       SER  19  18.588   8.226   4.875
  116    H    ARG  20           H        ARG  20  18.380   5.596   5.038
  117    HA   ARG  20           HA       ARG  20  18.960   6.117   7.795
  118   1HB   ARG  20          2HB       ARG  20  16.801   5.319   6.165
  119   2HB   ARG  20          1HB       ARG  20  16.786   4.689   7.784
  120   1HG   ARG  20          2HG       ARG  20  17.013   7.075   8.614
  121   2HG   ARG  20          1HG       ARG  20  16.987   7.624   6.946
  122   1HD   ARG  20          2HD       ARG  20  14.690   7.026   6.659
  123   2HD   ARG  20          1HD       ARG  20  14.712   5.923   8.027
  124    HE   ARG  20           HE       ARG  20  14.310   7.725   9.455
  125   1HH1  ARG  20          2HH1      ARG  20  15.376   8.860   6.356
  126   2HH1  ARG  20          1HH1      ARG  20  15.057  10.520   6.730
  127   1HH2  ARG  20          1HH2      ARG  20  13.903   9.817   9.947
  128   2HH2  ARG  20          2HH2      ARG  20  14.212  11.072   8.793
  129    H    GLN  21           H        GLN  21  19.672   3.751   5.610
  130    HA   GLN  21           HA       GLN  21  19.682   1.531   7.457
  131   1HB   GLN  21          2HB       GLN  21  18.917   1.418   5.040
  132   2HB   GLN  21          1HB       GLN  21  20.577   1.677   4.596
  133   1HG   GLN  21          2HG       GLN  21  20.886  -0.462   6.333
  134   2HG   GLN  21          1HG       GLN  21  19.235  -0.749   5.830
  135   1HE2  GLN  21          1HE2      GLN  21  21.274  -2.575   5.219
  136   2HE2  GLN  21          2HE2      GLN  21  21.540  -2.577   3.543
  137    H    CYS  22           H        CYS  22  21.462   0.688   8.377
  138    HA   CYS  22           HA       CYS  22  23.633   0.428   9.144
  139   1HB   CYS  22          2HB       CYS  22  24.749   1.468   6.657
  140   2HB   CYS  22          1HB       CYS  22  25.258   0.097   7.572
  141    H    ASP  23           H        ASP  23  22.711   2.426  10.180
  142    HA   ASP  23           HA       ASP  23  24.972   4.294  10.560
  143   1HB   ASP  23          2HB       ASP  23  23.107   6.210  10.584
  144   2HB   ASP  23          1HB       ASP  23  23.802   5.708   9.058
  145    H    ARG  24           H        ARG  24  22.855   2.237  11.601
  146    HA   ARG  24           HA       ARG  24  21.837   1.538  13.426
  147   1HB   ARG  24          2HB       ARG  24  23.129   1.521  15.281
  148   2HB   ARG  24          1HB       ARG  24  24.264   1.621  13.968
  149   1HG   ARG  24          2HG       ARG  24  23.573   4.316  14.986
  150   2HG   ARG  24          1HG       ARG  24  24.149   3.284  16.263
  151   1HD   ARG  24          2HD       ARG  24  25.759   3.231  13.724
  152   2HD   ARG  24          1HD       ARG  24  25.839   4.707  14.667
  153    HE   ARG  24           HE       ARG  24  26.944   2.119  15.417
  154   1HH1  ARG  24          1HH2      ARG  24  25.704   5.141  16.585
  155   2HH1  ARG  24          2HH2      ARG  24  26.581   5.053  18.073
  156   1HH2  ARG  24          2HH1      ARG  24  28.057   1.987  17.298
  157   2HH2  ARG  24          1HH1      ARG  24  27.928   3.243  18.486
  158    H    GLU  25           H        GLU  25  20.925   3.993  12.402
  159    HA   GLU  25           HA       GLU  25  19.869   5.442  14.788
  160   1HB   GLU  25          2HB       GLU  25  19.282   5.995  11.845
  161   2HB   GLU  25          1HB       GLU  25  18.965   7.084  13.184
  162   1HG   GLU  25          2HG       GLU  25  21.385   7.418  13.538
  163   2HG   GLU  25          1HG       GLU  25  21.741   6.236  12.290
  164    H    TYR  26           H        TYR  26  19.263   3.010  14.479
  165    HA   TYR  26           HA       TYR  26  17.465   1.466  13.661
  166   1HB   TYR  26          2HB       TYR  26  18.032   0.993  15.832
  167   2HB   TYR  26          1HB       TYR  26  17.663   2.590  16.432
  168    HD1  TYR  26           HD1      TYR  26  16.184  -0.657  15.499
  169    HD2  TYR  26           HD2      TYR  26  15.523   3.060  17.447
  170    HE1  TYR  26           HE1      TYR  26  14.109  -1.538  16.475
  171    HE2  TYR  26           HE2      TYR  26  13.455   2.187  18.421
  172    HH   TYR  26           HH       TYR  26  12.683  -0.545  18.950
  173    H    ASP  27           H        ASP  27  16.297   2.716  11.958
  174    HA   ASP  27           HA       ASP  27  14.284   4.500  12.624
  175   1HB   ASP  27          2HB       ASP  27  15.151   3.082  10.130
  176   2HB   ASP  27          1HB       ASP  27  13.877   4.265  10.138
  177    H    CYS  28           H        CYS  28  14.357   1.246  11.775
  178    HA   CYS  28           HA       CYS  28  11.414   0.955  11.783
  179   1HB   CYS  28          2HB       CYS  28  13.734  -0.764  11.007
  180   2HB   CYS  28          1HB       CYS  28  12.291  -1.570  11.498
  181    H    LYS  29           H        LYS  29  10.277  -0.019  13.363
  182    HA   LYS  29           HA       LYS  29  11.275  -0.037  15.965
  183   1HB   LYS  29          2HB       LYS  29   8.772  -1.279  14.755
  184   2HB   LYS  29          1HB       LYS  29   9.065  -1.277  16.480
  185   1HG   LYS  29          2HG       LYS  29   7.787   0.657  16.257
  186   2HG   LYS  29          1HG       LYS  29   9.402   1.318  16.215
  187   1HD   LYS  29          2HD       LYS  29   8.476   0.538  13.507
  188   2HD   LYS  29          1HD       LYS  29   7.367   1.652  14.272
  189   1HE   LYS  29          2HE       LYS  29   9.028   3.337  14.535
  190   2HE   LYS  29          1HE       LYS  29  10.352   2.218  14.247
  191   1HZ   LYS  29          1HZ       LYS  29   9.362   3.822  12.403
  192   2HZ   LYS  29          2HZ       LYS  29   8.400   2.450  12.116
  193   3HZ   LYS  29          3HZ       LYS  29  10.093   2.332  12.046
  194    H    ASP  30           H        ASP  30  11.132  -2.331  13.579
  195    HA   ASP  30           HA       ASP  30  11.728  -4.656  15.145
  196   1HB   ASP  30          2HB       ASP  30  10.206  -5.126  13.601
  197   2HB   ASP  30          1HB       ASP  30  10.858  -3.947  12.518
  198    H    MET  31           H        MET  31  13.473  -2.218  14.171
  199    HA   MET  31           HA       MET  31  15.675  -1.661  13.692
  200   1HB   MET  31          2HB       MET  31  17.219  -2.645  15.133
  201   2HB   MET  31          1HB       MET  31  15.715  -3.018  15.932
  202   1HG   MET  31          2HG       MET  31  15.972  -5.240  15.686
  203   2HG   MET  31          1HG       MET  31  16.608  -5.162  14.075
  204   1HE   MET  31          1HE       MET  31  20.316  -5.063  14.382
  205   2HE   MET  31          2HE       MET  31  19.293  -3.673  14.053
  206   3HE   MET  31          3HE       MET  31  18.903  -5.269  13.371
  207    H    SER  32           H        SER  32  14.261  -3.826  11.857
  208    HA   SER  32           HA       SER  32  16.471  -5.219  10.684
  209   1HB   SER  32          2HB       SER  32  13.616  -4.740   9.842
  210   2HB   SER  32          1HB       SER  32  14.724  -5.656   8.805
  211    HG   SER  32           HG       SER  32  14.896  -7.177  10.266
  212    H    ASP  33           H        ASP  33  15.878  -2.031  10.622
  213    HA   ASP  33           HA       ASP  33  16.525  -1.517   7.834
  214   1HB   ASP  33          2HB       ASP  33  16.021   0.645   8.354
  215   2HB   ASP  33          1HB       ASP  33  14.945  -0.271   9.341
  216    H    GLU  34           H        GLU  34  17.954  -2.230  10.773
  217    HA   GLU  34           HA       GLU  34  20.595  -1.251  10.014
  218   1HB   GLU  34          2HB       GLU  34  19.005  -1.459  12.535
  219   2HB   GLU  34          1HB       GLU  34  20.736  -1.504  12.631
  220   1HG   GLU  34          2HG       GLU  34  18.937   0.703  11.556
  221   2HG   GLU  34          1HG       GLU  34  20.017   0.854  12.910
  222    H    VAL  35           H        VAL  35  19.142  -3.657   9.359
  223    HA   VAL  35           HA       VAL  35  21.069  -5.612  10.200
  224    HB   VAL  35           HB       VAL  35  18.546  -5.459  10.978
  225   1HG1  VAL  35          1HG1      VAL  35  17.760  -6.305   8.768
  226   2HG1  VAL  35          2HG1      VAL  35  17.318  -7.382  10.095
  227   3HG1  VAL  35          3HG1      VAL  35  18.679  -7.783   9.050
  228   1HG2  VAL  35          1HG2      VAL  35  18.929  -7.667  12.061
  229   2HG2  VAL  35          2HG2      VAL  35  20.373  -6.674  12.132
  230   3HG2  VAL  35          3HG2      VAL  35  20.260  -7.969  10.952
  231    H    GLY  36           H        GLY  36  21.120  -7.355   8.900
  232   1HA   GLY  36          2HA       GLY  36  21.598  -8.457   6.929
  233   2HA   GLY  36          1HA       GLY  36  20.129  -7.683   6.329
  234    H    CYS  37           H        CYS  37  22.178  -5.441   7.383
  235    HA   CYS  37           HA       CYS  37  22.719  -4.172   4.976
  236   1HB   CYS  37          2HB       CYS  37  22.659  -3.000   6.953
  237   2HB   CYS  37          1HB       CYS  37  23.992  -3.941   7.551
  238    H    VAL  38           H        VAL  38  24.923  -5.693   7.195
  239    HA   VAL  38           HA       VAL  38  26.743  -6.560   5.023
  240    HB   VAL  38           HB       VAL  38  27.527  -5.951   7.937
  241   1HG1  VAL  38          1HG1      VAL  38  29.124  -7.358   6.612
  242   2HG1  VAL  38          2HG1      VAL  38  29.828  -5.793   6.971
  243   3HG1  VAL  38          3HG1      VAL  38  29.183  -6.119   5.371
  244   1HG2  VAL  38          1HG2      VAL  38  26.758  -3.817   7.132
  245   2HG2  VAL  38          2HG2      VAL  38  27.499  -4.052   5.556
  246   3HG2  VAL  38          3HG2      VAL  38  28.502  -3.768   6.970
  247    H    ASN  39           H        ASN  39  24.594  -7.830   5.575
  248    HA   ASN  39           HA       ASN  39  23.716  -9.951   5.985
  249   1HB   ASN  39          2HB       ASN  39  26.483 -10.827   6.963
  250   2HB   ASN  39          1HB       ASN  39  25.222 -11.823   6.263
  251   1HD2  ASN  39          1HD2      ASN  39  27.881  -9.688   5.529
  252   2HD2  ASN  39          2HD2      ASN  39  27.808  -9.855   3.841
  Start of MODEL    4
    1    H    ALA   1           H        ALA   1   2.907  -3.038   0.664
    2    HA   ALA   1           HA       ALA   1   3.020  -1.440  -1.834
    3   1HB   ALA   1          1HB       ALA   1   2.580  -0.312   0.966
    4   2HB   ALA   1          2HB       ALA   1   1.436  -0.258  -0.366
    5   3HB   ALA   1          3HB       ALA   1   2.925   0.669  -0.451
    6    H    THR   2           H        THR   2   5.055  -1.259  -2.444
    7    HA   THR   2           HA       THR   2   7.276  -1.751  -0.548
    8    HB   THR   2           HB       THR   2   7.875  -1.111  -3.422
    9    HG1  THR   2           HG1      THR   2   6.301  -3.292  -2.526
   10   1HG2  THR   2          1HG2      THR   2   9.291  -3.119  -3.208
   11   2HG2  THR   2          2HG2      THR   2   8.482  -3.591  -1.722
   12   3HG2  THR   2          3HG2      THR   2   9.532  -2.184  -1.742
   13    H    CYS   3           H        CYS   3   9.270  -0.413  -1.043
   14    HA   CYS   3           HA       CYS   3   8.737   2.342  -0.464
   15   1HB   CYS   3          2HB       CYS   3  11.289   1.127  -0.668
   16   2HB   CYS   3          1HB       CYS   3  10.656   2.258   0.491
   17    H    ARG   4           H        ARG   4  10.446   3.865  -1.320
   18    HA   ARG   4           HA       ARG   4  10.128   4.295  -4.046
   19   1HB   ARG   4          2HB       ARG   4  11.526   5.346  -1.784
   20   2HB   ARG   4          1HB       ARG   4  12.043   5.941  -3.297
   21   1HG   ARG   4          2HG       ARG   4   9.421   6.329  -3.668
   22   2HG   ARG   4          1HG       ARG   4   9.340   6.101  -1.931
   23   1HD   ARG   4          2HD       ARG   4   9.542   8.492  -2.296
   24   2HD   ARG   4          1HD       ARG   4  11.118   7.953  -1.717
   25    HE   ARG   4           HE       ARG   4  11.099   7.779  -4.558
   26   1HH1  ARG   4          1HH2      ARG   4  11.017  10.130  -2.013
   27   2HH1  ARG   4          2HH2      ARG   4  11.793  11.351  -2.964
   28   1HH2  ARG   4          2HH1      ARG   4  12.081   9.305  -5.777
   29   2HH2  ARG   4          1HH1      ARG   4  12.405  10.878  -5.129
   30    HA   PRO   5           HA       PRO   5  13.569   2.245  -5.852
   31   1HB   PRO   5          2HB       PRO   5  14.654   4.305  -7.521
   32   2HB   PRO   5          1HB       PRO   5  13.447   3.114  -7.982
   33   1HG   PRO   5          2HG       PRO   5  13.065   5.968  -7.415
   34   2HG   PRO   5          1HG       PRO   5  11.922   4.834  -8.119
   35   1HD   PRO   5          2HD       PRO   5  11.891   5.894  -5.444
   36   2HD   PRO   5          1HD       PRO   5  10.798   4.672  -6.116
   37    H    ASP   6           H        ASP   6  14.087   5.168  -4.440
   38    HA   ASP   6           HA       ASP   6  16.942   4.961  -4.055
   39   1HB   ASP   6          2HB       ASP   6  16.649   7.138  -2.941
   40   2HB   ASP   6          1HB       ASP   6  16.091   7.101  -4.603
   41    H    GLU   7           H        GLU   7  14.109   4.056  -2.471
   42    HA   GLU   7           HA       GLU   7  15.175   4.103   0.226
   43   1HB   GLU   7          2HB       GLU   7  12.538   3.714  -1.073
   44   2HB   GLU   7          1HB       GLU   7  12.769   2.742   0.361
   45   1HG   GLU   7          2HG       GLU   7  13.609   4.691   1.498
   46   2HG   GLU   7          1HG       GLU   7  13.161   5.698   0.181
   47    H    PHE   8           H        PHE   8  14.675   2.384   1.539
   48    HA   PHE   8           HA       PHE   8  15.339  -0.295   0.549
   49   1HB   PHE   8          2HB       PHE   8  17.210   0.895   1.551
   50   2HB   PHE   8          1HB       PHE   8  16.387   0.945   3.105
   51    HD1  PHE   8           HD1      PHE   8  17.744  -1.406   0.533
   52    HD2  PHE   8           HD2      PHE   8  16.359  -0.977   4.540
   53    HE1  PHE   8           HE1      PHE   8  18.510  -3.678   1.048
   54    HE2  PHE   8           HE2      PHE   8  17.127  -3.244   5.051
   55    HZ   PHE   8           HZ       PHE   8  18.204  -4.602   3.306
   56    H    GLN   9           H        GLN   9  14.466  -1.995   1.725
   57    HA   GLN   9           HA       GLN   9  12.244  -1.276   3.552
   58   1HB   GLN   9          2HB       GLN   9  11.831  -2.092   1.387
   59   2HB   GLN   9          1HB       GLN   9  12.592  -3.611   1.762
   60   1HG   GLN   9          2HG       GLN   9  10.797  -4.287   3.201
   61   2HG   GLN   9          1HG       GLN   9  10.391  -2.634   3.636
   62   1HE2  GLN   9          1HE2      GLN   9  10.376  -4.738   0.706
   63   2HE2  GLN   9          2HE2      GLN   9   8.904  -4.137   0.109
   64    H    CYS  10           H        CYS  10  11.879  -2.272   5.317
   65    HA   CYS  10           HA       CYS  10  13.898  -3.684   6.698
   66   1HB   CYS  10          2HB       CYS  10  11.214  -2.648   7.321
   67   2HB   CYS  10          1HB       CYS  10  12.175  -3.443   8.443
   68    H    SER  11           H        SER  11  12.864  -5.315   8.263
   69    HA   SER  11           HA       SER  11  11.925  -7.545   6.678
   70   1HB   SER  11          2HB       SER  11  13.821  -7.766   8.372
   71   2HB   SER  11          1HB       SER  11  12.617  -7.519   9.644
   72    HG   SER  11           HG       SER  11  12.583  -9.508   7.621
   73    H    ASP  12           H        ASP  12  10.752  -5.235   9.033
   74    HA   ASP  12           HA       ASP  12   8.405  -6.711   9.689
   75   1HB   ASP  12          2HB       ASP  12   8.159  -5.045  11.276
   76   2HB   ASP  12          1HB       ASP  12   9.856  -5.379  11.161
   77    H    GLY  13           H        GLY  13   9.181  -5.535   6.956
   78   1HA   GLY  13          2HA       GLY  13   8.041  -4.891   5.090
   79   2HA   GLY  13          1HA       GLY  13   6.600  -4.853   6.070
   80    H    ASN  14           H        ASN  14   8.641  -2.846   7.685
   81    HA   ASN  14           HA       ASN  14   7.391  -0.476   6.605
   82   1HB   ASN  14          2HB       ASN  14   7.691  -0.769   8.986
   83   2HB   ASN  14          1HB       ASN  14   9.435  -0.865   8.795
   84   1HD2  ASN  14          1HD2      ASN  14  10.573   1.161   8.273
   85   2HD2  ASN  14          2HD2      ASN  14   9.822   2.666   8.488
   86    H    CYS  15           H        CYS  15   8.766   1.426   5.989
   87    HA   CYS  15           HA       CYS  15  11.210   0.536   4.494
   88   1HB   CYS  15          2HB       CYS  15   9.402   2.711   3.846
   89   2HB   CYS  15          1HB       CYS  15  10.794   2.212   2.922
   90    H    ILE  16           H        ILE  16  12.909   1.993   4.223
   91    HA   ILE  16           HA       ILE  16  13.101   4.373   5.904
   92    HB   ILE  16           HB       ILE  16  15.332   3.667   6.594
   93   1HG1  ILE  16          2HG1      ILE  16  14.640   1.022   5.145
   94   2HG1  ILE  16          1HG1      ILE  16  15.776   2.214   4.586
   95   1HG2  ILE  16          1HG2      ILE  16  13.422   1.405   7.290
   96   2HG2  ILE  16          2HG2      ILE  16  13.259   3.026   7.963
   97   3HG2  ILE  16          3HG2      ILE  16  14.702   2.085   8.276
   98   1HD1  ILE  16          1HD1      ILE  16  16.099   0.173   6.622
   99   2HD1  ILE  16          2HD1      ILE  16  16.804   1.744   7.044
  100   3HD1  ILE  16          3HD1      ILE  16  17.279   0.912   5.570
  101    H    HIS  17           H        HIS  17  14.909   5.731   5.110
  102    HA   HIS  17           HA       HIS  17  15.045   5.705   2.217
  103   1HB   HIS  17          2HB       HIS  17  14.950   7.738   3.560
  104   2HB   HIS  17          1HB       HIS  17  16.572   7.293   4.072
  105    HD1  HIS  17           HD1      HIS  17  15.394   6.941   0.559
  106    HD2  HIS  17           HD2      HIS  17  17.968   9.302   2.673
  107    HE1  HIS  17           HE1      HIS  17  16.660   8.255  -1.100
  108    H    GLY  18           H        GLY  18  17.056   5.476   1.002
  109   1HA   GLY  18          2HA       GLY  18  18.620   3.345   1.618
  110   2HA   GLY  18          1HA       GLY  18  19.107   4.610   0.501
  111    H    SER  19           H        SER  19  18.810   6.532   2.881
  112    HA   SER  19           HA       SER  19  21.537   6.400   3.765
  113   1HB   SER  19          2HB       SER  19  19.432   8.548   4.217
  114   2HB   SER  19          1HB       SER  19  21.166   8.730   4.523
  115    HG   SER  19           HG       SER  19  21.524   8.204   2.335
  116    H    ARG  20           H        ARG  20  18.444   5.661   5.061
  117    HA   ARG  20           HA       ARG  20  19.126   5.925   7.834
  118   1HB   ARG  20          2HB       ARG  20  16.869   5.448   6.200
  119   2HB   ARG  20          1HB       ARG  20  16.814   4.741   7.780
  120   1HG   ARG  20          2HG       ARG  20  15.854   6.924   8.091
  121   2HG   ARG  20          1HG       ARG  20  17.509   7.158   8.607
  122   1HD   ARG  20          2HD       ARG  20  17.643   7.649   5.841
  123   2HD   ARG  20          1HD       ARG  20  16.069   8.297   6.284
  124    HE   ARG  20           HE       ARG  20  17.899   9.226   8.211
  125   1HH1  ARG  20          2HH1      ARG  20  17.355   9.438   4.794
  126   2HH1  ARG  20          1HH1      ARG  20  18.066  11.012   4.663
  127   1HH2  ARG  20          1HH2      ARG  20  18.804  11.223   8.067
  128   2HH2  ARG  20          2HH2      ARG  20  18.900  12.038   6.541
  129    H    GLN  21           H        GLN  21  19.722   3.768   5.475
  130    HA   GLN  21           HA       GLN  21  19.463   1.314   6.975
  131   1HB   GLN  21          2HB       GLN  21  18.879   1.613   4.509
  132   2HB   GLN  21          1HB       GLN  21  20.580   1.836   4.222
  133   1HG   GLN  21          2HG       GLN  21  20.931  -0.480   5.374
  134   2HG   GLN  21          1HG       GLN  21  19.188  -0.671   5.295
  135   1HE2  GLN  21          1HE2      GLN  21  20.782  -2.498   3.955
  136   2HE2  GLN  21          2HE2      GLN  21  20.656  -2.267   2.277
  137    H    CYS  22           H        CYS  22  21.133   0.558   8.160
  138    HA   CYS  22           HA       CYS  22  23.257   0.275   9.065
  139   1HB   CYS  22          2HB       CYS  22  24.278   0.990   6.419
  140   2HB   CYS  22          1HB       CYS  22  25.039  -0.030   7.589
  141    H    ASP  23           H        ASP  23  22.392   2.389   9.889
  142    HA   ASP  23           HA       ASP  23  24.695   4.276   9.971
  143   1HB   ASP  23          2HB       ASP  23  23.269   6.226   9.675
  144   2HB   ASP  23          1HB       ASP  23  22.926   5.151   8.338
  145    H    ARG  24           H        ARG  24  22.516   2.347  11.312
  146    HA   ARG  24           HA       ARG  24  21.782   1.706  13.263
  147   1HB   ARG  24          2HB       ARG  24  23.264   1.690  14.945
  148   2HB   ARG  24          1HB       ARG  24  24.283   1.878  13.548
  149   1HG   ARG  24          2HG       ARG  24  25.125   3.898  14.232
  150   2HG   ARG  24          1HG       ARG  24  23.575   4.502  14.770
  151   1HD   ARG  24          2HD       ARG  24  23.769   3.076  16.835
  152   2HD   ARG  24          1HD       ARG  24  25.391   2.616  16.311
  153    HE   ARG  24           HE       ARG  24  25.193   5.460  16.287
  154   1HH1  ARG  24          1HH2      ARG  24  25.263   2.773  18.473
  155   2HH1  ARG  24          2HH2      ARG  24  25.969   3.688  19.761
  156   1HH2  ARG  24          2HH1      ARG  24  26.085   6.641  17.905
  157   2HH2  ARG  24          1HH1      ARG  24  26.442   5.914  19.436
  158    H    GLU  25           H        GLU  25  20.742   4.146  12.319
  159    HA   GLU  25           HA       GLU  25  19.834   5.505  14.834
  160   1HB   GLU  25          2HB       GLU  25  19.854   6.185  11.903
  161   2HB   GLU  25          1HB       GLU  25  18.568   6.896  12.850
  162   1HG   GLU  25          2HG       GLU  25  20.287   8.541  12.889
  163   2HG   GLU  25          1HG       GLU  25  20.342   7.777  14.468
  164    H    TYR  26           H        TYR  26  19.250   3.099  14.539
  165    HA   TYR  26           HA       TYR  26  17.502   1.497  13.729
  166   1HB   TYR  26          2HB       TYR  26  18.008   1.090  15.930
  167   2HB   TYR  26          1HB       TYR  26  17.594   2.695  16.480
  168    HD1  TYR  26           HD1      TYR  26  16.189  -0.601  15.596
  169    HD2  TYR  26           HD2      TYR  26  15.410   3.168  17.396
  170    HE1  TYR  26           HE1      TYR  26  14.085  -1.475  16.522
  171    HE2  TYR  26           HE2      TYR  26  13.318   2.299  18.320
  172    HH   TYR  26           HH       TYR  26  12.480  -1.082  18.126
  173    H    ASP  27           H        ASP  27  16.338   2.551  11.986
  174    HA   ASP  27           HA       ASP  27  14.373   4.418  12.477
  175   1HB   ASP  27          2HB       ASP  27  15.234   2.803  10.105
  176   2HB   ASP  27          1HB       ASP  27  14.005   4.026  10.005
  177    H    CYS  28           H        CYS  28  14.328   1.141  11.718
  178    HA   CYS  28           HA       CYS  28  11.373   0.966  11.784
  179   1HB   CYS  28          2HB       CYS  28  13.592  -0.854  10.964
  180   2HB   CYS  28          1HB       CYS  28  12.126  -1.584  11.485
  181    H    LYS  29           H        LYS  29  10.216   0.035  13.327
  182    HA   LYS  29           HA       LYS  29  11.083   0.004  15.952
  183   1HB   LYS  29          2HB       LYS  29   8.866  -1.051  16.442
  184   2HB   LYS  29          1HB       LYS  29   8.728   0.282  15.320
  185   1HG   LYS  29          2HG       LYS  29   9.182  -2.133  13.749
  186   2HG   LYS  29          1HG       LYS  29   7.961  -2.496  14.942
  187   1HD   LYS  29          2HD       LYS  29   6.727  -1.683  13.109
  188   2HD   LYS  29          1HD       LYS  29   6.803  -0.294  14.174
  189   1HE   LYS  29          2HE       LYS  29   8.389   0.819  12.809
  190   2HE   LYS  29          1HE       LYS  29   8.939  -0.668  12.047
  191   1HZ   LYS  29          1HZ       LYS  29   6.962  -0.829  10.819
  192   2HZ   LYS  29          2HZ       LYS  29   7.519   0.767  10.651
  193   3HZ   LYS  29          3HZ       LYS  29   6.219   0.426  11.690
  194    H    ASP  30           H        ASP  30  11.155  -2.364  13.634
  195    HA   ASP  30           HA       ASP  30  11.692  -4.615  15.360
  196   1HB   ASP  30          2HB       ASP  30  10.126  -4.917  13.704
  197   2HB   ASP  30          1HB       ASP  30  11.272  -4.287  12.535
  198    H    MET  31           H        MET  31  13.511  -2.230  14.485
  199    HA   MET  31           HA       MET  31  15.714  -1.730  13.921
  200   1HB   MET  31          2HB       MET  31  17.309  -2.856  15.301
  201   2HB   MET  31          1HB       MET  31  15.820  -2.852  16.207
  202   1HG   MET  31          2HG       MET  31  15.469  -5.140  15.941
  203   2HG   MET  31          1HG       MET  31  16.503  -5.269  14.545
  204   1HE   MET  31          1HE       MET  31  16.084  -6.016  18.183
  205   2HE   MET  31          2HE       MET  31  16.564  -4.306  18.320
  206   3HE   MET  31          3HE       MET  31  17.615  -5.572  18.923
  207    H    SER  32           H        SER  32  14.213  -3.744  12.124
  208    HA   SER  32           HA       SER  32  16.294  -5.336  10.946
  209   1HB   SER  32          2HB       SER  32  14.389  -5.690   9.163
  210   2HB   SER  32          1HB       SER  32  14.126  -6.297  10.798
  211    HG   SER  32           HG       SER  32  12.895  -4.563  11.269
  212    H    ASP  33           H        ASP  33  15.832  -2.142  10.836
  213    HA   ASP  33           HA       ASP  33  16.313  -1.697   8.000
  214   1HB   ASP  33          2HB       ASP  33  15.996   0.544   8.581
  215   2HB   ASP  33          1HB       ASP  33  14.834  -0.352   9.483
  216    H    GLU  34           H        GLU  34  17.942  -2.445  10.815
  217    HA   GLU  34           HA       GLU  34  20.541  -1.463   9.911
  218   1HB   GLU  34          2HB       GLU  34  19.151  -1.866  12.532
  219   2HB   GLU  34          1HB       GLU  34  20.878  -1.801  12.472
  220   1HG   GLU  34          2HG       GLU  34  18.856   0.353  11.717
  221   2HG   GLU  34          1HG       GLU  34  20.063   0.504  12.954
  222    H    VAL  35           H        VAL  35  19.123  -3.832   9.107
  223    HA   VAL  35           HA       VAL  35  20.788  -5.925  10.144
  224    HB   VAL  35           HB       VAL  35  18.215  -5.803  10.226
  225   1HG1  VAL  35          1HG1      VAL  35  17.101  -6.903   8.460
  226   2HG1  VAL  35          2HG1      VAL  35  18.628  -7.396   7.715
  227   3HG1  VAL  35          3HG1      VAL  35  18.149  -5.700   7.695
  228   1HG2  VAL  35          1HG2      VAL  35  18.160  -8.257  10.465
  229   2HG2  VAL  35          2HG2      VAL  35  19.606  -7.606  11.211
  230   3HG2  VAL  35          3HG2      VAL  35  19.703  -8.396   9.644
  231    H    GLY  36           H        GLY  36  21.126  -7.596   8.717
  232   1HA   GLY  36          2HA       GLY  36  22.086  -8.654   6.927
  233   2HA   GLY  36          1HA       GLY  36  21.219  -7.485   5.932
  234    H    CYS  37           H        CYS  37  22.959  -5.790   7.961
  235    HA   CYS  37           HA       CYS  37  24.996  -5.102   6.074
  236   1HB   CYS  37          2HB       CYS  37  23.510  -3.705   7.777
  237   2HB   CYS  37          1HB       CYS  37  25.123  -3.702   8.475
  238    H    VAL  38           H        VAL  38  24.999  -5.600   9.548
  239    HA   VAL  38           HA       VAL  38  27.533  -7.131   9.454
  240    HB   VAL  38           HB       VAL  38  26.798  -4.968  11.509
  241   1HG1  VAL  38          1HG1      VAL  38  29.390  -6.520  11.001
  242   2HG1  VAL  38          2HG1      VAL  38  28.364  -6.666  12.418
  243   3HG1  VAL  38          3HG1      VAL  38  29.254  -5.184  12.133
  244   1HG2  VAL  38          1HG2      VAL  38  28.687  -3.635  10.413
  245   2HG2  VAL  38          2HG2      VAL  38  27.242  -3.791   9.435
  246   3HG2  VAL  38          3HG2      VAL  38  28.645  -4.791   9.090
  247    H    ASN  39           H        ASN  39  25.398  -8.415   9.300
  248    HA   ASN  39           HA       ASN  39  24.660  -9.381  12.037
  249   1HB   ASN  39          2HB       ASN  39  22.809  -9.322   9.610
  250   2HB   ASN  39          1HB       ASN  39  22.371  -9.740  11.262
  251   1HD2  ASN  39          1HD2      ASN  39  23.596  -7.005   9.279
  252   2HD2  ASN  39          2HD2      ASN  39  22.924  -5.793  10.256
  Start of MODEL    5
    1    H    ALA   1           H        ALA   1   3.605  -0.017  -2.180
    2    HA   ALA   1           HA       ALA   1   2.705  -1.147   0.373
    3   1HB   ALA   1          1HB       ALA   1   1.711  -2.694  -1.299
    4   2HB   ALA   1          2HB       ALA   1   2.982  -3.506  -0.399
    5   3HB   ALA   1          3HB       ALA   1   3.290  -2.934  -2.033
    6    H    THR   2           H        THR   2   5.109  -1.398  -2.212
    7    HA   THR   2           HA       THR   2   7.290  -1.931  -0.282
    8    HB   THR   2           HB       THR   2   7.932  -1.486  -3.183
    9    HG1  THR   2           HG1      THR   2   5.889  -2.515  -3.239
   10   1HG2  THR   2          1HG2      THR   2   8.396  -3.848  -1.274
   11   2HG2  THR   2          2HG2      THR   2   9.560  -2.558  -1.532
   12   3HG2  THR   2          3HG2      THR   2   9.147  -3.643  -2.848
   13    H    CYS   3           H        CYS   3   9.369  -0.758  -0.837
   14    HA   CYS   3           HA       CYS   3   9.020   2.054  -0.415
   15   1HB   CYS   3          2HB       CYS   3  11.492   0.673  -0.552
   16   2HB   CYS   3          1HB       CYS   3  10.932   1.901   0.543
   17    H    ARG   4           H        ARG   4  10.816   3.417  -1.353
   18    HA   ARG   4           HA       ARG   4  10.532   3.700  -4.101
   19   1HB   ARG   4          2HB       ARG   4  11.964   4.803  -1.891
   20   2HB   ARG   4          1HB       ARG   4  12.609   5.215  -3.419
   21   1HG   ARG   4          2HG       ARG   4   9.933   5.707  -3.841
   22   2HG   ARG   4          1HG       ARG   4  10.001   5.883  -2.097
   23   1HD   ARG   4          2HD       ARG   4  11.797   7.592  -2.320
   24   2HD   ARG   4          1HD       ARG   4  11.761   7.424  -4.071
   25    HE   ARG   4           HE       ARG   4   9.816   8.846  -2.424
   26   1HH1  ARG   4          1HH2      ARG   4  10.390   7.214  -5.431
   27   2HH1  ARG   4          2HH2      ARG   4   9.121   8.057  -6.256
   28   1HH2  ARG   4          2HH1      ARG   4   8.208   9.916  -3.451
   29   2HH2  ARG   4          1HH1      ARG   4   7.868   9.605  -5.121
   30    HA   PRO   5           HA       PRO   5  13.831   1.303  -5.746
   31   1HB   PRO   5          2HB       PRO   5  15.030   3.152  -7.570
   32   2HB   PRO   5          1HB       PRO   5  13.733   2.024  -7.935
   33   1HG   PRO   5          2HG       PRO   5  13.570   4.933  -7.567
   34   2HG   PRO   5          1HG       PRO   5  12.345   3.842  -8.196
   35   1HD   PRO   5          2HD       PRO   5  12.398   5.077  -5.595
   36   2HD   PRO   5          1HD       PRO   5  11.221   3.892  -6.189
   37    H    ASP   6           H        ASP   6  14.503   4.273  -4.519
   38    HA   ASP   6           HA       ASP   6  17.338   3.906  -4.101
   39   1HB   ASP   6          2HB       ASP   6  17.248   6.208  -3.283
   40   2HB   ASP   6          1HB       ASP   6  16.579   6.042  -4.894
   41    H    GLU   7           H        GLU   7  14.473   3.270  -2.486
   42    HA   GLU   7           HA       GLU   7  15.490   3.623   0.202
   43   1HB   GLU   7          2HB       GLU   7  12.873   3.140  -1.071
   44   2HB   GLU   7          1HB       GLU   7  13.064   2.319   0.462
   45   1HG   GLU   7          2HG       GLU   7  13.987   4.400   1.363
   46   2HG   GLU   7          1HG       GLU   7  13.496   5.232  -0.054
   47    H    PHE   8           H        PHE   8  15.073   2.157   1.737
   48    HA   PHE   8           HA       PHE   8  15.763  -0.633   1.130
   49   1HB   PHE   8          2HB       PHE   8  17.552   0.641   2.111
   50   2HB   PHE   8          1HB       PHE   8  16.601   0.980   3.555
   51    HD1  PHE   8           HD1      PHE   8  16.235  -0.730   5.235
   52    HD2  PHE   8           HD2      PHE   8  18.256  -1.737   1.620
   53    HE1  PHE   8           HE1      PHE   8  16.881  -2.888   6.194
   54    HE2  PHE   8           HE2      PHE   8  18.900  -3.897   2.588
   55    HZ   PHE   8           HZ       PHE   8  18.211  -4.478   4.875
   56    H    GLN   9           H        GLN   9  14.669  -2.157   2.128
   57    HA   GLN   9           HA       GLN   9  12.394  -1.364   3.852
   58   1HB   GLN   9          2HB       GLN   9  12.057  -2.220   1.690
   59   2HB   GLN   9          1HB       GLN   9  12.777  -3.742   2.124
   60   1HG   GLN   9          2HG       GLN   9  10.897  -4.413   3.413
   61   2HG   GLN   9          1HG       GLN   9  10.553  -2.777   3.945
   62   1HE2  GLN   9          1HE2      GLN   9   8.601  -2.070   3.156
   63   2HE2  GLN   9          2HE2      GLN   9   7.948  -2.464   1.640
   64    H    CYS  10           H        CYS  10  11.903  -2.281   5.609
   65    HA   CYS  10           HA       CYS  10  13.761  -3.722   7.164
   66   1HB   CYS  10          2HB       CYS  10  11.050  -2.638   7.552
   67   2HB   CYS  10          1HB       CYS  10  11.947  -3.374   8.772
   68    H    SER  11           H        SER  11  12.564  -5.315   8.652
   69    HA   SER  11           HA       SER  11  11.673  -7.532   7.019
   70   1HB   SER  11          2HB       SER  11  13.425  -7.829   8.838
   71   2HB   SER  11          1HB       SER  11  12.170  -7.474  10.035
   72    HG   SER  11           HG       SER  11  10.952  -9.181   9.136
   73    H    ASP  12           H        ASP  12  10.444  -5.169   9.291
   74    HA   ASP  12           HA       ASP  12   7.971  -6.496   9.761
   75   1HB   ASP  12          2HB       ASP  12   7.702  -4.575  11.210
   76   2HB   ASP  12          1HB       ASP  12   9.241  -5.378  11.467
   77    H    GLY  13           H        GLY  13   9.030  -5.263   7.101
   78   1HA   GLY  13          2HA       GLY  13   7.986  -4.600   5.183
   79   2HA   GLY  13          1HA       GLY  13   6.520  -4.433   6.103
   80    H    ASN  14           H        ASN  14   8.523  -2.517   7.813
   81    HA   ASN  14           HA       ASN  14   7.541  -0.102   6.566
   82   1HB   ASN  14          2HB       ASN  14   7.695  -0.305   8.982
   83   2HB   ASN  14          1HB       ASN  14   9.430  -0.543   8.868
   84   1HD2  ASN  14          1HD2      ASN  14  10.764   1.343   8.433
   85   2HD2  ASN  14          2HD2      ASN  14  10.139   2.918   8.510
   86    H    CYS  15           H        CYS  15   9.141   1.692   6.105
   87    HA   CYS  15           HA       CYS  15  11.657   0.630   4.871
   88   1HB   CYS  15          2HB       CYS  15  10.100   2.743   3.646
   89   2HB   CYS  15          1HB       CYS  15  11.388   1.814   2.949
   90    H    ILE  16           H        ILE  16  13.292   2.109   4.423
   91    HA   ILE  16           HA       ILE  16  13.348   4.735   5.697
   92    HB   ILE  16           HB       ILE  16  15.600   4.243   6.524
   93   1HG1  ILE  16          2HG1      ILE  16  14.989   1.338   5.681
   94   2HG1  ILE  16          1HG1      ILE  16  16.089   2.417   4.868
   95   1HG2  ILE  16          1HG2      ILE  16  13.821   2.134   7.727
   96   2HG2  ILE  16          2HG2      ILE  16  13.507   3.856   7.963
   97   3HG2  ILE  16          3HG2      ILE  16  15.025   3.158   8.497
   98   1HD1  ILE  16          1HD1      ILE  16  16.795   2.331   7.645
   99   2HD1  ILE  16          2HD1      ILE  16  17.710   1.990   6.191
  100   3HD1  ILE  16          3HD1      ILE  16  16.729   0.725   6.912
  101    H    HIS  17           H        HIS  17  15.190   5.975   4.753
  102    HA   HIS  17           HA       HIS  17  15.398   5.572   1.912
  103   1HB   HIS  17          2HB       HIS  17  15.495   7.743   3.004
  104   2HB   HIS  17          1HB       HIS  17  17.052   7.216   3.620
  105    HD1  HIS  17           HD1      HIS  17  16.103   6.435   0.126
  106    HD2  HIS  17           HD2      HIS  17  18.485   9.122   2.068
  107    HE1  HIS  17           HE1      HIS  17  17.484   7.522  -1.605
  108    H    GLY  18           H        GLY  18  17.377   5.055   0.722
  109   1HA   GLY  18          2HA       GLY  18  18.753   2.872   1.610
  110   2HA   GLY  18          1HA       GLY  18  19.287   3.900   0.286
  111    H    SER  19           H        SER  19  19.234   6.202   2.250
  112    HA   SER  19           HA       SER  19  21.956   5.978   3.128
  113   1HB   SER  19          2HB       SER  19  21.007   8.013   1.874
  114   2HB   SER  19          1HB       SER  19  20.170   8.427   3.380
  115    HG   SER  19           HG       SER  19  22.139   8.419   4.438
  116    H    ARG  20           H        ARG  20  18.824   5.729   4.492
  117    HA   ARG  20           HA       ARG  20  19.545   6.439   7.176
  118   1HB   ARG  20          2HB       ARG  20  17.243   5.854   5.641
  119   2HB   ARG  20          1HB       ARG  20  17.154   5.448   7.331
  120   1HG   ARG  20          2HG       ARG  20  18.103   7.933   7.642
  121   2HG   ARG  20          1HG       ARG  20  17.542   8.152   5.994
  122   1HD   ARG  20          2HD       ARG  20  15.798   7.154   8.282
  123   2HD   ARG  20          1HD       ARG  20  15.836   8.824   7.723
  124    HE   ARG  20           HE       ARG  20  15.340   7.310   5.433
  125   1HH1  ARG  20          2HH1      ARG  20  13.866   7.782   8.532
  126   2HH1  ARG  20          1HH1      ARG  20  12.265   7.489   7.941
  127   1HH2  ARG  20          1HH2      ARG  20  13.327   6.932   4.663
  128   2HH2  ARG  20          2HH2      ARG  20  11.952   6.999   5.718
  129    H    GLN  21           H        GLN  21  20.090   3.831   5.320
  130    HA   GLN  21           HA       GLN  21  19.570   1.768   7.274
  131   1HB   GLN  21          2HB       GLN  21  19.133   1.562   4.770
  132   2HB   GLN  21          1HB       GLN  21  20.855   1.625   4.553
  133   1HG   GLN  21          2HG       GLN  21  20.781  -0.420   6.371
  134   2HG   GLN  21          1HG       GLN  21  19.157  -0.591   5.737
  135   1HE2  GLN  21          1HE2      GLN  21  21.622  -2.336   5.405
  136   2HE2  GLN  21          2HE2      GLN  21  21.797  -2.517   3.726
  137    H    CYS  22           H        CYS  22  21.116   0.826   8.503
  138    HA   CYS  22           HA       CYS  22  23.173   0.322   9.467
  139   1HB   CYS  22          2HB       CYS  22  24.683   1.396   7.207
  140   2HB   CYS  22          1HB       CYS  22  24.967  -0.043   8.117
  141    H    ASP  23           H        ASP  23  22.347   2.203  10.621
  142    HA   ASP  23           HA       ASP  23  24.611   4.011  11.193
  143   1HB   ASP  23          2HB       ASP  23  22.681   5.907  11.346
  144   2HB   ASP  23          1HB       ASP  23  23.545   5.614   9.859
  145    H    ARG  24           H        ARG  24  22.363   1.909  12.020
  146    HA   ARG  24           HA       ARG  24  21.304   1.166  13.790
  147   1HB   ARG  24          2HB       ARG  24  22.631   0.952  15.664
  148   2HB   ARG  24          1HB       ARG  24  23.760   1.084  14.350
  149   1HG   ARG  24          2HG       ARG  24  24.542   3.215  14.994
  150   2HG   ARG  24          1HG       ARG  24  23.116   3.604  15.933
  151   1HD   ARG  24          2HD       ARG  24  25.022   3.098  17.430
  152   2HD   ARG  24          1HD       ARG  24  23.780   1.870  17.617
  153    HE   ARG  24           HE       ARG  24  25.251   0.290  16.712
  154   1HH1  ARG  24          2HH1      ARG  24  26.364   3.497  16.006
  155   2HH1  ARG  24          1HH1      ARG  24  27.870   2.950  15.350
  156   1HH2  ARG  24          1HH2      ARG  24  27.145  -0.421  15.888
  157   2HH2  ARG  24          2HH2      ARG  24  28.320   0.698  15.281
  158    H    GLU  25           H        GLU  25  20.600   3.763  12.948
  159    HA   GLU  25           HA       GLU  25  19.601   5.154  15.370
  160   1HB   GLU  25          2HB       GLU  25  19.120   5.773  12.423
  161   2HB   GLU  25          1HB       GLU  25  18.694   6.836  13.754
  162   1HG   GLU  25          2HG       GLU  25  21.061   7.193  14.297
  163   2HG   GLU  25          1HG       GLU  25  21.539   6.028  13.077
  164    H    TYR  26           H        TYR  26  18.842   2.769  15.027
  165    HA   TYR  26           HA       TYR  26  16.981   1.299  14.281
  166   1HB   TYR  26          2HB       TYR  26  17.580   1.088  16.545
  167   2HB   TYR  26          1HB       TYR  26  16.958   2.657  16.975
  168    HD1  TYR  26           HD1      TYR  26  14.758   2.881  17.868
  169    HD2  TYR  26           HD2      TYR  26  15.918  -0.791  16.072
  170    HE1  TYR  26           HE1      TYR  26  12.739   1.818  18.747
  171    HE2  TYR  26           HE2      TYR  26  13.897  -1.863  16.952
  172    HH   TYR  26           HH       TYR  26  11.293  -0.156  18.179
  173    H    ASP  27           H        ASP  27  15.945   2.573  12.440
  174    HA   ASP  27           HA       ASP  27  13.933   4.390  13.004
  175   1HB   ASP  27          2HB       ASP  27  15.049   3.064  10.632
  176   2HB   ASP  27          1HB       ASP  27  13.433   3.642  10.468
  177    H    CYS  28           H        CYS  28  13.995   1.172  12.097
  178    HA   CYS  28           HA       CYS  28  11.073   0.776  12.216
  179   1HB   CYS  28          2HB       CYS  28  13.430  -0.787  11.248
  180   2HB   CYS  28          1HB       CYS  28  12.047  -1.685  11.750
  181    H    LYS  29           H        LYS  29  10.041  -0.452  13.708
  182    HA   LYS  29           HA       LYS  29  11.090  -0.514  16.290
  183   1HB   LYS  29          2HB       LYS  29   8.680  -1.996  15.166
  184   2HB   LYS  29          1HB       LYS  29   8.961  -1.717  16.873
  185   1HG   LYS  29          2HG       LYS  29   8.589   0.476  14.773
  186   2HG   LYS  29          1HG       LYS  29   7.368  -0.063  15.898
  187   1HD   LYS  29          2HD       LYS  29   8.117   1.612  17.254
  188   2HD   LYS  29          1HD       LYS  29   9.414   0.513  17.664
  189   1HE   LYS  29          2HE       LYS  29  10.430   2.627  17.046
  190   2HE   LYS  29          1HE       LYS  29  10.754   1.538  15.711
  191   1HZ   LYS  29          1HZ       LYS  29  10.011   3.572  14.831
  192   2HZ   LYS  29          2HZ       LYS  29   8.658   3.615  15.858
  193   3HZ   LYS  29          3HZ       LYS  29   8.747   2.456  14.620
  194    H    ASP  30           H        ASP  30  11.355  -2.649  13.795
  195    HA   ASP  30           HA       ASP  30  12.030  -4.982  15.361
  196   1HB   ASP  30          2HB       ASP  30  10.535  -5.024  13.437
  197   2HB   ASP  30          1HB       ASP  30  12.006  -4.729  12.504
  198    H    MET  31           H        MET  31  13.533  -2.360  14.381
  199    HA   MET  31           HA       MET  31  15.713  -1.622  14.003
  200   1HB   MET  31          2HB       MET  31  15.928  -3.119  16.160
  201   2HB   MET  31          1HB       MET  31  16.666  -4.303  15.106
  202   1HG   MET  31          2HG       MET  31  17.803  -1.612  14.732
  203   2HG   MET  31          1HG       MET  31  17.959  -2.174  16.367
  204   1HE   MET  31          1HE       MET  31  18.757  -4.793  16.762
  205   2HE   MET  31          2HE       MET  31  19.904  -3.504  17.203
  206   3HE   MET  31          3HE       MET  31  20.449  -4.930  16.332
  207    H    SER  32           H        SER  32  14.300  -3.703  12.173
  208    HA   SER  32           HA       SER  32  16.415  -5.005  10.754
  209   1HB   SER  32          2HB       SER  32  14.073  -5.896  10.856
  210   2HB   SER  32          1HB       SER  32  13.506  -4.485   9.953
  211    HG   SER  32           HG       SER  32  15.262  -6.546   9.153
  212    H    ASP  33           H        ASP  33  15.773  -1.825  10.887
  213    HA   ASP  33           HA       ASP  33  16.101  -1.237   8.058
  214   1HB   ASP  33          2HB       ASP  33  15.661   0.973   8.760
  215   2HB   ASP  33          1HB       ASP  33  14.603  -0.064   9.647
  216    H    GLU  34           H        GLU  34  17.982  -2.029  10.733
  217    HA   GLU  34           HA       GLU  34  20.392  -0.731   9.745
  218   1HB   GLU  34          2HB       GLU  34  19.602  -2.001  12.352
  219   2HB   GLU  34          1HB       GLU  34  21.055  -1.104  12.081
  220   1HG   GLU  34          2HG       GLU  34  18.198  -0.029  12.092
  221   2HG   GLU  34          1HG       GLU  34  19.339   0.245  13.358
  222    H    VAL  35           H        VAL  35  19.025  -3.053   8.710
  223    HA   VAL  35           HA       VAL  35  21.032  -5.088   9.047
  224    HB   VAL  35           HB       VAL  35  18.507  -5.194   9.781
  225   1HG1  VAL  35          1HG1      VAL  35  17.878  -5.167   7.301
  226   2HG1  VAL  35          2HG1      VAL  35  17.160  -6.431   8.302
  227   3HG1  VAL  35          3HG1      VAL  35  18.522  -6.807   7.244
  228   1HG2  VAL  35          1HG2      VAL  35  20.223  -6.794  10.467
  229   2HG2  VAL  35          2HG2      VAL  35  20.220  -7.539   8.877
  230   3HG2  VAL  35          3HG2      VAL  35  18.810  -7.676   9.916
  231    H    GLY  36           H        GLY  36  20.768  -6.643   7.225
  232   1HA   GLY  36          2HA       GLY  36  21.001  -7.283   5.047
  233   2HA   GLY  36          1HA       GLY  36  20.178  -5.785   4.617
  234    H    CYS  37           H        CYS  37  22.515  -4.812   6.432
  235    HA   CYS  37           HA       CYS  37  24.138  -3.687   4.452
  236   1HB   CYS  37          2HB       CYS  37  23.655  -3.187   6.983
  237   2HB   CYS  37          1HB       CYS  37  25.313  -3.773   6.988
  238    H    VAL  38           H        VAL  38  24.955  -6.003   6.963
  239    HA   VAL  38           HA       VAL  38  27.276  -6.992   5.426
  240    HB   VAL  38           HB       VAL  38  27.557  -6.027   7.772
  241   1HG1  VAL  38          1HG1      VAL  38  25.313  -7.156   8.572
  242   2HG1  VAL  38          2HG1      VAL  38  26.644  -6.980   9.698
  243   3HG1  VAL  38          3HG1      VAL  38  26.337  -8.532   8.943
  244   1HG2  VAL  38          1HG2      VAL  38  28.320  -8.974   7.682
  245   2HG2  VAL  38          2HG2      VAL  38  29.137  -7.682   8.542
  246   3HG2  VAL  38          3HG2      VAL  38  29.166  -7.721   6.789
  247    H    ASN  39           H        ASN  39  24.975  -7.633   4.497
  248    HA   ASN  39           HA       ASN  39  23.661  -9.382   3.686
  249   1HB   ASN  39          2HB       ASN  39  25.734 -11.230   4.986
  250   2HB   ASN  39          1HB       ASN  39  24.650 -11.624   3.663
  251   1HD2  ASN  39          1HD2      ASN  39  25.062 -10.604   1.560
  252   2HD2  ASN  39          2HD2      ASN  39  26.591  -9.963   1.197
  Start of MODEL    6
    1    H    ALA   1           H        ALA   1   1.559  -1.074  -1.756
    2    HA   ALA   1           HA       ALA   1   2.387   1.182  -2.091
    3   1HB   ALA   1          1HB       ALA   1   1.847   1.377   0.907
    4   2HB   ALA   1          2HB       ALA   1   0.937   2.162  -0.374
    5   3HB   ALA   1          3HB       ALA   1   2.586   2.662  -0.039
    6    H    THR   2           H        THR   2   4.297   0.359  -2.713
    7    HA   THR   2           HA       THR   2   6.238  -0.731  -0.757
    8    HB   THR   2           HB       THR   2   7.018  -0.391  -3.652
    9    HG1  THR   2           HG1      THR   2   4.800  -0.957  -3.722
   10   1HG2  THR   2          1HG2      THR   2   7.639  -2.827  -3.305
   11   2HG2  THR   2          2HG2      THR   2   6.999  -2.744  -1.671
   12   3HG2  THR   2          3HG2      THR   2   8.416  -1.804  -2.113
   13    H    CYS   3           H        CYS   3   8.553  -0.112  -1.284
   14    HA   CYS   3           HA       CYS   3   8.937   2.667  -0.723
   15   1HB   CYS   3          2HB       CYS   3  10.964   0.691  -0.939
   16   2HB   CYS   3          1HB       CYS   3  10.752   1.964   0.220
   17    H    ARG   4           H        ARG   4  11.010   3.573  -1.595
   18    HA   ARG   4           HA       ARG   4  10.851   3.842  -4.399
   19   1HB   ARG   4          2HB       ARG   4  12.145   4.975  -2.122
   20   2HB   ARG   4          1HB       ARG   4  12.887   5.330  -3.624
   21   1HG   ARG   4          2HG       ARG   4  10.010   5.651  -3.931
   22   2HG   ARG   4          1HG       ARG   4  10.426   6.330  -2.383
   23   1HD   ARG   4          2HD       ARG   4  12.365   7.309  -4.328
   24   2HD   ARG   4          1HD       ARG   4  10.760   7.503  -4.996
   25    HE   ARG   4           HE       ARG   4  10.324   9.138  -3.395
   26   1HH1  ARG   4          2HH1      ARG   4  13.059   7.234  -2.430
   27   2HH1  ARG   4          1HH1      ARG   4  13.429   8.253  -1.081
   28   1HH2  ARG   4          1HH2      ARG   4  10.774  10.432  -1.700
   29   2HH2  ARG   4          2HH2      ARG   4  12.117  10.091  -0.659
   30    HA   PRO   5           HA       PRO   5  14.156   1.227  -5.620
   31   1HB   PRO   5          2HB       PRO   5  15.593   2.934  -7.414
   32   2HB   PRO   5          1HB       PRO   5  14.292   1.835  -7.842
   33   1HG   PRO   5          2HG       PRO   5  14.208   4.758  -7.654
   34   2HG   PRO   5          1HG       PRO   5  12.989   3.672  -8.304
   35   1HD   PRO   5          2HD       PRO   5  12.918   5.064  -5.777
   36   2HD   PRO   5          1HD       PRO   5  11.719   3.916  -6.402
   37    H    ASP   6           H        ASP   6  14.866   4.222  -4.478
   38    HA   ASP   6           HA       ASP   6  17.644   3.786  -3.840
   39   1HB   ASP   6          2HB       ASP   6  17.545   6.085  -2.999
   40   2HB   ASP   6          1HB       ASP   6  16.988   5.948  -4.656
   41    H    GLU   7           H        GLU   7  14.638   3.227  -2.385
   42    HA   GLU   7           HA       GLU   7  15.555   3.525   0.335
   43   1HB   GLU   7          2HB       GLU   7  12.979   3.216  -1.107
   44   2HB   GLU   7          1HB       GLU   7  13.022   2.309   0.393
   45   1HG   GLU   7          2HG       GLU   7  13.909   4.225   1.490
   46   2HG   GLU   7          1HG       GLU   7  13.750   5.204   0.088
   47    H    PHE   8           H        PHE   8  15.410   2.127   1.813
   48    HA   PHE   8           HA       PHE   8  15.995  -0.675   1.155
   49   1HB   PHE   8          2HB       PHE   8  17.797   0.525   2.214
   50   2HB   PHE   8          1HB       PHE   8  16.800   0.886   3.630
   51    HD1  PHE   8           HD1      PHE   8  16.820  -0.630   5.434
   52    HD2  PHE   8           HD2      PHE   8  17.940  -2.072   1.582
   53    HE1  PHE   8           HE1      PHE   8  17.355  -2.815   6.404
   54    HE2  PHE   8           HE2      PHE   8  18.469  -4.257   2.560
   55    HZ   PHE   8           HZ       PHE   8  18.176  -4.634   4.970
   56    H    GLN   9           H        GLN   9  14.918  -2.255   2.113
   57    HA   GLN   9           HA       GLN   9  12.637  -1.525   3.853
   58   1HB   GLN   9          2HB       GLN   9  12.302  -2.337   1.667
   59   2HB   GLN   9          1HB       GLN   9  13.050  -3.860   2.070
   60   1HG   GLN   9          2HG       GLN   9  11.228  -4.532   3.476
   61   2HG   GLN   9          1HG       GLN   9  10.770  -2.876   3.844
   62   1HE2  GLN   9          1HE2      GLN   9   8.935  -2.161   2.799
   63   2HE2  GLN   9          2HE2      GLN   9   8.309  -2.817   1.364
   64    H    CYS  10           H        CYS  10  12.152  -2.476   5.572
   65    HA   CYS  10           HA       CYS  10  14.008  -3.871   7.160
   66   1HB   CYS  10          2HB       CYS  10  11.246  -2.899   7.491
   67   2HB   CYS  10          1HB       CYS  10  12.169  -3.548   8.738
   68    H    SER  11           H        SER  11  12.784  -5.471   8.625
   69    HA   SER  11           HA       SER  11  12.047  -7.746   6.993
   70   1HB   SER  11          2HB       SER  11  13.722  -7.940   8.917
   71   2HB   SER  11          1HB       SER  11  12.379  -7.625  10.029
   72    HG   SER  11           HG       SER  11  12.979  -9.915   9.173
   73    H    ASP  12           H        ASP  12  10.693  -5.416   9.244
   74    HA   ASP  12           HA       ASP  12   8.216  -6.754   9.612
   75   1HB   ASP  12          2HB       ASP  12   7.854  -4.796  10.997
   76   2HB   ASP  12          1HB       ASP  12   9.389  -5.567  11.341
   77    H    GLY  13           H        GLY  13   9.406  -5.487   6.983
   78   1HA   GLY  13          2HA       GLY  13   8.463  -4.889   5.004
   79   2HA   GLY  13          1HA       GLY  13   6.931  -4.793   5.819
   80    H    ASN  14           H        ASN  14   8.761  -2.751   7.622
   81    HA   ASN  14           HA       ASN  14   7.724  -0.427   6.243
   82   1HB   ASN  14          2HB       ASN  14   7.652  -0.513   8.668
   83   2HB   ASN  14          1HB       ASN  14   9.399  -0.693   8.731
   84   1HD2  ASN  14          1HD2      ASN  14   6.799   1.595   7.900
   85   2HD2  ASN  14          2HD2      ASN  14   7.760   2.990   8.013
   86    H    CYS  15           H        CYS  15   9.179   1.390   5.597
   87    HA   CYS  15           HA       CYS  15  11.904   0.411   4.821
   88   1HB   CYS  15          2HB       CYS  15   9.870   1.643   3.275
   89   2HB   CYS  15          1HB       CYS  15  11.525   2.125   2.938
   90    H    ILE  16           H        ILE  16  13.515   1.901   4.520
   91    HA   ILE  16           HA       ILE  16  13.317   4.586   5.671
   92    HB   ILE  16           HB       ILE  16  15.526   4.228   6.630
   93   1HG1  ILE  16          2HG1      ILE  16  15.278   1.244   5.839
   94   2HG1  ILE  16          1HG1      ILE  16  16.155   2.402   4.886
   95   1HG2  ILE  16          1HG2      ILE  16  13.667   3.750   8.113
   96   2HG2  ILE  16          2HG2      ILE  16  14.941   2.578   8.407
   97   3HG2  ILE  16          3HG2      ILE  16  13.528   2.104   7.488
   98   1HD1  ILE  16          1HD1      ILE  16  17.331   0.997   6.804
   99   2HD1  ILE  16          2HD1      ILE  16  16.927   2.453   7.712
  100   3HD1  ILE  16          3HD1      ILE  16  17.839   2.574   6.221
  101    H    HIS  17           H        HIS  17  15.092   5.934   4.754
  102    HA   HIS  17           HA       HIS  17  15.374   5.493   1.919
  103   1HB   HIS  17          2HB       HIS  17  15.269   7.661   3.071
  104   2HB   HIS  17          1HB       HIS  17  16.935   7.309   3.518
  105    HD1  HIS  17           HD1      HIS  17  18.635   7.362   1.524
  106    HD2  HIS  17           HD2      HIS  17  14.824   8.177   0.316
  107    HE1  HIS  17           HE1      HIS  17  18.803   8.175  -0.796
  108    H    GLY  18           H        GLY  18  17.396   5.094   0.799
  109   1HA   GLY  18          2HA       GLY  18  18.943   3.065   1.755
  110   2HA   GLY  18          1HA       GLY  18  19.432   4.121   0.440
  111    H    SER  19           H        SER  19  19.106   6.394   2.472
  112    HA   SER  19           HA       SER  19  21.829   6.480   3.365
  113   1HB   SER  19          2HB       SER  19  19.682   8.640   3.506
  114   2HB   SER  19          1HB       SER  19  21.428   8.887   3.672
  115    HG   SER  19           HG       SER  19  21.522   7.741   1.564
  116    H    ARG  20           H        ARG  20  18.751   5.870   4.727
  117    HA   ARG  20           HA       ARG  20  19.362   6.590   7.437
  118   1HB   ARG  20          2HB       ARG  20  17.165   5.799   5.855
  119   2HB   ARG  20          1HB       ARG  20  17.101   5.315   7.519
  120   1HG   ARG  20          2HG       ARG  20  17.940   8.099   7.418
  121   2HG   ARG  20          1HG       ARG  20  16.618   7.925   6.291
  122   1HD   ARG  20          2HD       ARG  20  15.178   8.035   8.031
  123   2HD   ARG  20          1HD       ARG  20  15.766   6.501   8.628
  124    HE   ARG  20           HE       ARG  20  16.265   9.056   9.796
  125   1HH1  ARG  20          2HH1      ARG  20  17.884   6.056   9.110
  126   2HH1  ARG  20          1HH1      ARG  20  19.000   6.243  10.415
  127   1HH2  ARG  20          1HH2      ARG  20  17.638   9.290  11.443
  128   2HH2  ARG  20          2HH2      ARG  20  18.838   8.089  11.770
  129    H    GLN  21           H        GLN  21  19.998   4.099   5.461
  130    HA   GLN  21           HA       GLN  21  19.768   1.861   7.257
  131   1HB   GLN  21          2HB       GLN  21  19.245   1.785   4.805
  132   2HB   GLN  21          1HB       GLN  21  20.924   2.114   4.471
  133   1HG   GLN  21          2HG       GLN  21  21.328  -0.039   6.008
  134   2HG   GLN  21          1HG       GLN  21  19.675  -0.417   5.534
  135   1HE2  GLN  21          1HE2      GLN  21  22.799   0.630   4.081
  136   2HE2  GLN  21          2HE2      GLN  21  22.610  -0.263   2.648
  137    H    CYS  22           H        CYS  22  21.408   0.973   8.414
  138    HA   CYS  22           HA       CYS  22  23.502   0.634   9.364
  139   1HB   CYS  22          2HB       CYS  22  24.071   1.085   6.601
  140   2HB   CYS  22          1HB       CYS  22  25.445   1.181   7.677
  141    H    ASP  23           H        ASP  23  22.627   2.561  10.425
  142    HA   ASP  23           HA       ASP  23  24.844   4.453  10.936
  143   1HB   ASP  23          2HB       ASP  23  23.159   6.399  10.937
  144   2HB   ASP  23          1HB       ASP  23  23.576   5.772   9.358
  145    H    ARG  24           H        ARG  24  22.725   2.314  11.839
  146    HA   ARG  24           HA       ARG  24  21.647   1.530  13.592
  147   1HB   ARG  24          2HB       ARG  24  22.943   1.352  15.466
  148   2HB   ARG  24          1HB       ARG  24  24.053   1.427  14.134
  149   1HG   ARG  24          2HG       ARG  24  23.558   4.105  15.341
  150   2HG   ARG  24          1HG       ARG  24  24.160   2.945  16.495
  151   1HD   ARG  24          2HD       ARG  24  25.912   2.425  14.469
  152   2HD   ARG  24          1HD       ARG  24  25.571   4.110  14.114
  153    HE   ARG  24           HE       ARG  24  27.074   3.090  16.370
  154   1HH1  ARG  24          2HH1      ARG  24  24.999   5.654  15.294
  155   2HH1  ARG  24          1HH1      ARG  24  25.637   6.793  16.432
  156   1HH2  ARG  24          1HH2      ARG  24  27.887   4.512  17.813
  157   2HH2  ARG  24          2HH2      ARG  24  27.295   6.138  17.882
  158    H    GLU  25           H        GLU  25  20.712   3.930  12.727
  159    HA   GLU  25           HA       GLU  25  19.738   5.354  15.169
  160   1HB   GLU  25          2HB       GLU  25  19.236   6.007  12.245
  161   2HB   GLU  25          1HB       GLU  25  18.882   7.050  13.615
  162   1HG   GLU  25          2HG       GLU  25  21.393   7.104  14.105
  163   2HG   GLU  25          1HG       GLU  25  21.620   6.220  12.604
  164    H    TYR  26           H        TYR  26  19.070   2.969  14.876
  165    HA   TYR  26           HA       TYR  26  17.266   1.452  14.034
  166   1HB   TYR  26          2HB       TYR  26  17.737   0.981  16.214
  167   2HB   TYR  26          1HB       TYR  26  17.499   2.614  16.766
  168    HD1  TYR  26           HD1      TYR  26  15.634  -0.469  15.816
  169    HD2  TYR  26           HD2      TYR  26  15.508   3.252  17.875
  170    HE1  TYR  26           HE1      TYR  26  13.492  -1.089  16.829
  171    HE2  TYR  26           HE2      TYR  26  13.368   2.628  18.881
  172    HH   TYR  26           HH       TYR  26  11.843  -0.501  18.174
  173    H    ASP  27           H        ASP  27  16.079   2.502  12.285
  174    HA   ASP  27           HA       ASP  27  14.079   4.352  12.786
  175   1HB   ASP  27          2HB       ASP  27  14.757   2.658  10.410
  176   2HB   ASP  27          1HB       ASP  27  13.675   4.014  10.378
  177    H    CYS  28           H        CYS  28  14.137   1.103  11.924
  178    HA   CYS  28           HA       CYS  28  11.214   0.727  12.122
  179   1HB   CYS  28          2HB       CYS  28  13.529  -0.868  11.105
  180   2HB   CYS  28          1HB       CYS  28  12.162  -1.757  11.662
  181    H    LYS  29           H        LYS  29  10.211  -0.298  13.730
  182    HA   LYS  29           HA       LYS  29  11.352  -0.434  16.261
  183   1HB   LYS  29          2HB       LYS  29   8.832  -1.784  15.225
  184   2HB   LYS  29          1HB       LYS  29   9.181  -1.527  16.923
  185   1HG   LYS  29          2HG       LYS  29   8.881   0.704  14.848
  186   2HG   LYS  29          1HG       LYS  29   7.637   0.202  15.966
  187   1HD   LYS  29          2HD       LYS  29   8.462   1.816  17.344
  188   2HD   LYS  29          1HD       LYS  29   9.703   0.652  17.738
  189   1HE   LYS  29          2HE       LYS  29  10.840   2.703  17.153
  190   2HE   LYS  29          1HE       LYS  29  11.077   1.644  15.775
  191   1HZ   LYS  29          1HZ       LYS  29   9.356   2.727  14.599
  192   2HZ   LYS  29          2HZ       LYS  29  10.393   3.924  15.211
  193   3HZ   LYS  29          3HZ       LYS  29   8.897   3.631  15.962
  194    H    ASP  30           H        ASP  30  11.296  -2.651  13.802
  195    HA   ASP  30           HA       ASP  30  11.896  -5.001  15.363
  196   1HB   ASP  30          2HB       ASP  30  10.465  -4.795  13.303
  197   2HB   ASP  30          1HB       ASP  30  12.046  -4.928  12.517
  198    H    MET  31           H        MET  31  13.592  -2.473  14.520
  199    HA   MET  31           HA       MET  31  15.783  -1.847  14.124
  200   1HB   MET  31          2HB       MET  31  16.564  -4.571  15.217
  201   2HB   MET  31          1HB       MET  31  17.412  -3.041  15.356
  202   1HG   MET  31          2HG       MET  31  14.840  -2.703  16.567
  203   2HG   MET  31          1HG       MET  31  15.501  -4.194  17.150
  204   1HE   MET  31          1HE       MET  31  18.301  -3.324  19.418
  205   2HE   MET  31          2HE       MET  31  18.193  -4.211  17.912
  206   3HE   MET  31          3HE       MET  31  16.930  -4.387  19.154
  207    H    SER  32           H        SER  32  14.299  -3.794  12.225
  208    HA   SER  32           HA       SER  32  16.364  -5.229  10.871
  209   1HB   SER  32          2HB       SER  32  13.490  -4.578  10.117
  210   2HB   SER  32          1HB       SER  32  14.523  -5.730   9.238
  211    HG   SER  32           HG       SER  32  13.155  -6.185  11.401
  212    H    ASP  33           H        ASP  33  15.818  -1.988  10.866
  213    HA   ASP  33           HA       ASP  33  16.342  -1.531   8.036
  214   1HB   ASP  33          2HB       ASP  33  16.052   0.717   8.615
  215   2HB   ASP  33          1HB       ASP  33  14.811  -0.180   9.430
  216    H    GLU  34           H        GLU  34  17.931  -2.268  10.877
  217    HA   GLU  34           HA       GLU  34  20.531  -1.251  10.023
  218   1HB   GLU  34          2HB       GLU  34  19.130  -1.745  12.630
  219   2HB   GLU  34          1HB       GLU  34  20.846  -1.535  12.558
  220   1HG   GLU  34          2HG       GLU  34  18.622   0.440  11.917
  221   2HG   GLU  34          1HG       GLU  34  19.898   0.695  13.059
  222    H    VAL  35           H        VAL  35  19.040  -3.583   9.252
  223    HA   VAL  35           HA       VAL  35  20.979  -5.629   9.731
  224    HB   VAL  35           HB       VAL  35  18.157  -5.775   9.947
  225   1HG1  VAL  35          1HG1      VAL  35  18.613  -7.870   8.874
  226   2HG1  VAL  35          2HG1      VAL  35  18.557  -8.342  10.560
  227   3HG1  VAL  35          3HG1      VAL  35  20.106  -8.087   9.776
  228   1HG2  VAL  35          1HG2      VAL  35  19.222  -5.083  12.082
  229   2HG2  VAL  35          2HG2      VAL  35  20.271  -6.488  12.027
  230   3HG2  VAL  35          3HG2      VAL  35  18.549  -6.683  12.316
  231    H    GLY  36           H        GLY  36  21.072  -7.054   8.000
  232   1HA   GLY  36          2HA       GLY  36  21.113  -7.670   5.779
  233   2HA   GLY  36          1HA       GLY  36  19.408  -7.228   5.802
  234    H    CYS  37           H        CYS  37  21.427  -4.833   6.676
  235    HA   CYS  37           HA       CYS  37  20.781  -2.901   4.870
  236   1HB   CYS  37          2HB       CYS  37  21.675  -1.977   6.650
  237   2HB   CYS  37          1HB       CYS  37  22.719  -3.315   6.895
  238    H    VAL  38           H        VAL  38  24.056  -4.063   5.077
  239    HA   VAL  38           HA       VAL  38  24.308  -4.454   2.166
  240    HB   VAL  38           HB       VAL  38  26.180  -2.780   3.976
  241   1HG1  VAL  38          1HG1      VAL  38  27.778  -3.647   2.503
  242   2HG1  VAL  38          2HG1      VAL  38  27.218  -2.322   1.511
  243   3HG1  VAL  38          3HG1      VAL  38  26.611  -3.942   1.225
  244   1HG2  VAL  38          1HG2      VAL  38  24.119  -1.581   3.155
  245   2HG2  VAL  38          2HG2      VAL  38  24.601  -1.926   1.505
  246   3HG2  VAL  38          3HG2      VAL  38  25.591  -0.883   2.514
  247    H    ASN  39           H        ASN  39  23.746  -6.191   3.977
  248    HA   ASN  39           HA       ASN  39  25.942  -7.581   5.233
  249   1HB   ASN  39          2HB       ASN  39  24.299  -9.343   5.676
  250   2HB   ASN  39          1HB       ASN  39  23.510  -7.791   5.897
  251   1HD2  ASN  39          1HD2      ASN  39  22.474  -6.944   3.672
  252   2HD2  ASN  39          2HD2      ASN  39  21.603  -8.116   2.808
  Start of MODEL    7
    1    H    ALA   1           H        ALA   1   3.158   1.695  -3.262
    2    HA   ALA   1           HA       ALA   1   1.894   1.051  -0.687
    3   1HB   ALA   1          1HB       ALA   1   0.669  -0.393  -2.290
    4   2HB   ALA   1          2HB       ALA   1   1.688  -1.379  -1.257
    5   3HB   ALA   1          3HB       ALA   1   2.187  -1.028  -2.904
    6    H    THR   2           H        THR   2   4.371   0.218  -3.051
    7    HA   THR   2           HA       THR   2   6.225  -0.759  -0.959
    8    HB   THR   2           HB       THR   2   7.164  -0.468  -3.809
    9    HG1  THR   2           HG1      THR   2   4.990  -1.094  -4.034
   10   1HG2  THR   2          1HG2      THR   2   8.498  -1.804  -2.149
   11   2HG2  THR   2          2HG2      THR   2   7.839  -2.867  -3.376
   12   3HG2  THR   2          3HG2      THR   2   7.085  -2.785  -1.792
   13    H    CYS   3           H        CYS   3   8.543  -0.078  -1.358
   14    HA   CYS   3           HA       CYS   3   8.813   2.732  -0.874
   15   1HB   CYS   3          2HB       CYS   3  10.872   0.772  -0.886
   16   2HB   CYS   3          1HB       CYS   3  10.615   2.108   0.186
   17    H    ARG   4           H        ARG   4  10.941   3.635  -1.648
   18    HA   ARG   4           HA       ARG   4  10.915   3.945  -4.428
   19   1HB   ARG   4          2HB       ARG   4  12.303   4.858  -2.104
   20   2HB   ARG   4          1HB       ARG   4  13.059   5.215  -3.597
   21   1HG   ARG   4          2HG       ARG   4  10.529   6.044  -4.175
   22   2HG   ARG   4          1HG       ARG   4  10.424   6.114  -2.426
   23   1HD   ARG   4          2HD       ARG   4  12.433   7.605  -4.172
   24   2HD   ARG   4          1HD       ARG   4  11.109   8.323  -3.261
   25    HE   ARG   4           HE       ARG   4  12.608   6.949  -1.357
   26   1HH1  ARG   4          1HH2      ARG   4  13.169   9.439  -3.697
   27   2HH1  ARG   4          2HH2      ARG   4  14.417  10.196  -2.766
   28   1HH2  ARG   4          2HH1      ARG   4  14.183   7.888  -0.157
   29   2HH2  ARG   4          1HH1      ARG   4  14.999   9.305  -0.728
   30    HA   PRO   5           HA       PRO   5  14.006   1.061  -5.655
   31   1HB   PRO   5          2HB       PRO   5  15.551   2.638  -7.463
   32   2HB   PRO   5          1HB       PRO   5  14.140   1.676  -7.881
   33   1HG   PRO   5          2HG       PRO   5  14.350   4.602  -7.629
   34   2HG   PRO   5          1HG       PRO   5  13.050   3.655  -8.338
   35   1HD   PRO   5          2HD       PRO   5  13.030   4.983  -5.787
   36   2HD   PRO   5          1HD       PRO   5  11.770   3.923  -6.443
   37    H    ASP   6           H        ASP   6  14.891   4.030  -4.577
   38    HA   ASP   6           HA       ASP   6  17.630   3.463  -3.886
   39   1HB   ASP   6          2HB       ASP   6  17.663   5.794  -3.153
   40   2HB   ASP   6          1HB       ASP   6  17.080   5.624  -4.797
   41    H    GLU   7           H        GLU   7  14.614   3.049  -2.441
   42    HA   GLU   7           HA       GLU   7  15.500   3.469   0.279
   43   1HB   GLU   7          2HB       GLU   7  12.926   3.087  -1.162
   44   2HB   GLU   7          1HB       GLU   7  12.961   2.290   0.395
   45   1HG   GLU   7          2HG       GLU   7  13.875   4.273   1.358
   46   2HG   GLU   7          1HG       GLU   7  13.689   5.161  -0.100
   47    H    PHE   8           H        PHE   8  15.200   2.124   1.831
   48    HA   PHE   8           HA       PHE   8  15.775  -0.708   1.283
   49   1HB   PHE   8          2HB       PHE   8  17.579   0.546   2.283
   50   2HB   PHE   8          1HB       PHE   8  16.614   0.882   3.728
   51    HD1  PHE   8           HD1      PHE   8  16.803  -0.645   5.523
   52    HD2  PHE   8           HD2      PHE   8  17.675  -2.041   1.590
   53    HE1  PHE   8           HE1      PHE   8  17.426  -2.831   6.429
   54    HE2  PHE   8           HE2      PHE   8  18.290  -4.230   2.507
   55    HZ   PHE   8           HZ       PHE   8  18.164  -4.632   4.929
   56    H    GLN   9           H        GLN   9  14.650  -2.210   2.208
   57    HA   GLN   9           HA       GLN   9  12.392  -1.440   3.956
   58   1HB   GLN   9          2HB       GLN   9  12.034  -2.227   1.778
   59   2HB   GLN   9          1HB       GLN   9  12.750  -3.769   2.158
   60   1HG   GLN   9          2HG       GLN   9  10.790  -4.519   3.226
   61   2HG   GLN   9          1HG       GLN   9  10.649  -3.034   4.144
   62   1HE2  GLN   9          1HE2      GLN   9   8.918  -1.754   3.628
   63   2HE2  GLN   9          2HE2      GLN   9   8.054  -1.816   2.168
   64    H    CYS  10           H        CYS  10  11.898  -2.316   5.681
   65    HA   CYS  10           HA       CYS  10  13.650  -3.802   7.295
   66   1HB   CYS  10          2HB       CYS  10  10.931  -2.705   7.588
   67   2HB   CYS  10          1HB       CYS  10  11.848  -3.340   8.858
   68    H    SER  11           H        SER  11  12.362  -5.349   8.756
   69    HA   SER  11           HA       SER  11  11.490  -7.580   7.135
   70   1HB   SER  11          2HB       SER  11  13.179  -7.873   9.023
   71   2HB   SER  11          1HB       SER  11  11.890  -7.470  10.167
   72    HG   SER  11           HG       SER  11  11.819  -9.526   8.214
   73    H    ASP  12           H        ASP  12  10.271  -5.178   9.355
   74    HA   ASP  12           HA       ASP  12   7.742  -6.376   9.825
   75   1HB   ASP  12          2HB       ASP  12   7.507  -4.263  11.053
   76   2HB   ASP  12          1HB       ASP  12   8.893  -5.239  11.526
   77    H    GLY  13           H        GLY  13   8.909  -5.274   7.122
   78   1HA   GLY  13          2HA       GLY  13   7.962  -4.655   5.151
   79   2HA   GLY  13          1HA       GLY  13   6.445  -4.515   5.987
   80    H    ASN  14           H        ASN  14   8.524  -2.481   7.628
   81    HA   ASN  14           HA       ASN  14   7.468  -0.147   6.251
   82   1HB   ASN  14          2HB       ASN  14   7.418  -0.224   8.688
   83   2HB   ASN  14          1HB       ASN  14   9.168  -0.415   8.723
   84   1HD2  ASN  14          1HD2      ASN  14  10.492   1.452   8.298
   85   2HD2  ASN  14          2HD2      ASN  14   9.843   3.018   8.221
   86    H    CYS  15           H        CYS  15   9.028   1.630   5.692
   87    HA   CYS  15           HA       CYS  15  11.706   0.560   4.878
   88   1HB   CYS  15          2HB       CYS  15   9.708   1.821   3.302
   89   2HB   CYS  15          1HB       CYS  15  11.377   2.252   2.964
   90    H    ILE  16           H        ILE  16  13.319   2.073   4.469
   91    HA   ILE  16           HA       ILE  16  13.151   4.769   5.591
   92    HB   ILE  16           HB       ILE  16  15.362   4.411   6.565
   93   1HG1  ILE  16          2HG1      ILE  16  15.058   1.406   5.875
   94   2HG1  ILE  16          1HG1      ILE  16  15.944   2.518   4.872
   95   1HG2  ILE  16          1HG2      ILE  16  13.468   3.996   8.055
   96   2HG2  ILE  16          2HG2      ILE  16  14.770   2.877   8.414
   97   3HG2  ILE  16          3HG2      ILE  16  13.374   2.317   7.515
   98   1HD1  ILE  16          1HD1      ILE  16  17.634   2.740   6.184
   99   2HD1  ILE  16          2HD1      ILE  16  17.132   1.158   6.768
  100   3HD1  ILE  16          3HD1      ILE  16  16.735   2.613   7.687
  101    H    HIS  17           H        HIS  17  14.945   6.067   4.649
  102    HA   HIS  17           HA       HIS  17  15.266   5.533   1.826
  103   1HB   HIS  17          2HB       HIS  17  15.123   7.754   2.792
  104   2HB   HIS  17          1HB       HIS  17  16.702   7.405   3.482
  105    HD1  HIS  17           HD1      HIS  17  16.268   6.203   0.068
  106    HD2  HIS  17           HD2      HIS  17  17.699   9.593   1.839
  107    HE1  HIS  17           HE1      HIS  17  17.529   7.424  -1.668
  108    H    GLY  18           H        GLY  18  17.318   5.047   0.769
  109   1HA   GLY  18          2HA       GLY  18  18.817   3.059   1.858
  110   2HA   GLY  18          1HA       GLY  18  19.361   4.057   0.523
  111    H    SER  19           H        SER  19  18.956   6.357   2.613
  112    HA   SER  19           HA       SER  19  21.687   6.473   3.469
  113   1HB   SER  19          2HB       SER  19  21.104   8.877   4.001
  114   2HB   SER  19          1HB       SER  19  20.641   8.435   2.351
  115    HG   SER  19           HG       SER  19  18.991   8.357   4.658
  116    H    ARG  20           H        ARG  20  18.604   5.853   4.901
  117    HA   ARG  20           HA       ARG  20  19.357   6.466   7.600
  118   1HB   ARG  20          2HB       ARG  20  17.064   5.830   6.088
  119   2HB   ARG  20          1HB       ARG  20  17.029   5.311   7.746
  120   1HG   ARG  20          2HG       ARG  20  17.212   7.566   8.538
  121   2HG   ARG  20          1HG       ARG  20  17.896   8.132   7.029
  122   1HD   ARG  20          2HD       ARG  20  15.076   7.032   6.986
  123   2HD   ARG  20          1HD       ARG  20  15.330   8.638   7.651
  124    HE   ARG  20           HE       ARG  20  15.491   7.903   4.861
  125   1HH1  ARG  20          2HH1      ARG  20  16.781  10.028   7.278
  126   2HH1  ARG  20          1HH1      ARG  20  17.217  11.250   6.131
  127   1HH2  ARG  20          1HH2      ARG  20  16.038   9.451   3.392
  128   2HH2  ARG  20          2HH2      ARG  20  16.793  10.919   3.909
  129    H    GLN  21           H        GLN  21  19.949   3.968   5.591
  130    HA   GLN  21           HA       GLN  21  19.675   1.820   7.505
  131   1HB   GLN  21          2HB       GLN  21  19.052   1.639   5.062
  132   2HB   GLN  21          1HB       GLN  21  20.736   1.834   4.684
  133   1HG   GLN  21          2HG       GLN  21  20.967  -0.236   6.485
  134   2HG   GLN  21          1HG       GLN  21  19.328  -0.531   5.955
  135   1HE2  GLN  21          1HE2      GLN  21  22.126   0.637   4.001
  136   2HE2  GLN  21          2HE2      GLN  21  22.105  -0.681   2.933
  137    H    CYS  22           H        CYS  22  21.364   0.945   8.556
  138    HA   CYS  22           HA       CYS  22  23.547   0.578   9.355
  139   1HB   CYS  22          2HB       CYS  22  24.784   1.772   6.999
  140   2HB   CYS  22          1HB       CYS  22  25.252   0.357   7.865
  141    H    ASP  23           H        ASP  23  22.572   2.556  10.475
  142    HA   ASP  23           HA       ASP  23  24.841   4.370  11.021
  143   1HB   ASP  23          2HB       ASP  23  22.940   6.294  11.069
  144   2HB   ASP  23          1HB       ASP  23  23.780   5.910   9.585
  145    H    ARG  24           H        ARG  24  22.752   2.248  11.885
  146    HA   ARG  24           HA       ARG  24  21.667   1.466  13.649
  147   1HB   ARG  24          2HB       ARG  24  22.893   1.431  15.571
  148   2HB   ARG  24          1HB       ARG  24  24.063   1.536  14.289
  149   1HG   ARG  24          2HG       ARG  24  24.786   3.682  14.874
  150   2HG   ARG  24          1HG       ARG  24  23.270   4.143  15.622
  151   1HD   ARG  24          2HD       ARG  24  23.732   2.621  17.527
  152   2HD   ARG  24          1HD       ARG  24  25.262   2.152  16.797
  153    HE   ARG  24           HE       ARG  24  24.677   4.667  18.162
  154   1HH1  ARG  24          2HH1      ARG  24  26.687   3.071  15.830
  155   2HH1  ARG  24          1HH1      ARG  24  27.993   4.189  16.028
  156   1HH2  ARG  24          1HH2      ARG  24  26.317   6.094  18.421
  157   2HH2  ARG  24          2HH2      ARG  24  27.782   5.925  17.512
  158    H    GLU  25           H        GLU  25  20.729   3.917  12.669
  159    HA   GLU  25           HA       GLU  25  19.628   5.314  15.065
  160   1HB   GLU  25          2HB       GLU  25  19.066   5.882  12.119
  161   2HB   GLU  25          1HB       GLU  25  18.649   6.916  13.472
  162   1HG   GLU  25          2HG       GLU  25  21.039   7.342  13.929
  163   2HG   GLU  25          1HG       GLU  25  21.488   6.240  12.639
  164    H    TYR  26           H        TYR  26  19.056   2.886  14.809
  165    HA   TYR  26           HA       TYR  26  17.264   1.298  13.998
  166   1HB   TYR  26          2HB       TYR  26  17.931   0.922  16.201
  167   2HB   TYR  26          1HB       TYR  26  17.383   2.478  16.771
  168    HD1  TYR  26           HD1      TYR  26  16.238  -0.909  15.803
  169    HD2  TYR  26           HD2      TYR  26  15.208   2.720  17.761
  170    HE1  TYR  26           HE1      TYR  26  14.253  -1.987  16.750
  171    HE2  TYR  26           HE2      TYR  26  13.224   1.648  18.708
  172    HH   TYR  26           HH       TYR  26  11.745  -0.243  18.227
  173    H    ASP  27           H        ASP  27  16.058   2.503  12.308
  174    HA   ASP  27           HA       ASP  27  14.077   4.305  12.944
  175   1HB   ASP  27          2HB       ASP  27  14.681   2.694  10.475
  176   2HB   ASP  27          1HB       ASP  27  13.567   4.021  10.528
  177    H    CYS  28           H        CYS  28  14.082   1.093  11.989
  178    HA   CYS  28           HA       CYS  28  11.167   0.725  12.295
  179   1HB   CYS  28          2HB       CYS  28  13.419  -0.815  11.108
  180   2HB   CYS  28          1HB       CYS  28  12.082  -1.736  11.690
  181    H    LYS  29           H        LYS  29  10.196  -0.552  13.775
  182    HA   LYS  29           HA       LYS  29  11.310  -0.708  16.309
  183   1HB   LYS  29          2HB       LYS  29   8.773  -1.461  15.007
  184   2HB   LYS  29          1HB       LYS  29   9.165  -2.560  16.307
  185   1HG   LYS  29          2HG       LYS  29   7.940  -0.874  17.391
  186   2HG   LYS  29          1HG       LYS  29   9.593  -0.460  17.771
  187   1HD   LYS  29          2HD       LYS  29   8.298   0.744  15.296
  188   2HD   LYS  29          1HD       LYS  29   7.874   1.377  16.871
  189   1HE   LYS  29          2HE       LYS  29  10.503   1.523  17.234
  190   2HE   LYS  29          1HE       LYS  29  10.549   1.466  15.478
  191   1HZ   LYS  29          1HZ       LYS  29   9.164   3.440  17.176
  192   2HZ   LYS  29          2HZ       LYS  29   8.914   3.313  15.501
  193   3HZ   LYS  29          3HZ       LYS  29  10.453   3.705  16.103
  194    H    ASP  30           H        ASP  30  11.387  -2.857  13.777
  195    HA   ASP  30           HA       ASP  30  12.210  -5.179  15.266
  196   1HB   ASP  30          2HB       ASP  30  10.697  -5.205  13.355
  197   2HB   ASP  30          1HB       ASP  30  12.159  -4.885  12.415
  198    H    MET  31           H        MET  31  13.678  -2.533  14.249
  199    HA   MET  31           HA       MET  31  15.874  -1.799  13.854
  200   1HB   MET  31          2HB       MET  31  16.140  -3.330  15.988
  201   2HB   MET  31          1HB       MET  31  16.824  -4.512  14.895
  202   1HG   MET  31          2HG       MET  31  17.981  -1.820  14.542
  203   2HG   MET  31          1HG       MET  31  18.208  -2.457  16.141
  204   1HE   MET  31          1HE       MET  31  20.668  -5.222  15.867
  205   2HE   MET  31          2HE       MET  31  19.000  -5.091  16.389
  206   3HE   MET  31          3HE       MET  31  20.179  -3.828  16.819
  207    H    SER  32           H        SER  32  14.336  -3.731  12.041
  208    HA   SER  32           HA       SER  32  16.297  -5.159  10.536
  209   1HB   SER  32          2HB       SER  32  13.843  -5.775  10.702
  210   2HB   SER  32          1HB       SER  32  13.483  -4.352   9.716
  211    HG   SER  32           HG       SER  32  15.071  -6.605   9.076
  212    H    ASP  33           H        ASP  33  15.736  -1.915  10.710
  213    HA   ASP  33           HA       ASP  33  16.204  -1.287   7.903
  214   1HB   ASP  33          2HB       ASP  33  15.927   0.918   8.622
  215   2HB   ASP  33          1HB       ASP  33  14.701  -0.025   9.415
  216    H    GLU  34           H        GLU  34  17.847  -2.178  10.661
  217    HA   GLU  34           HA       GLU  34  20.401  -0.999   9.843
  218   1HB   GLU  34          2HB       GLU  34  19.023  -1.673  12.410
  219   2HB   GLU  34          1HB       GLU  34  20.754  -1.629  12.370
  220   1HG   GLU  34          2HG       GLU  34  18.786   0.618  11.730
  221   2HG   GLU  34          1HG       GLU  34  19.897   0.626  13.060
  222    H    VAL  35           H        VAL  35  19.045  -3.288   8.801
  223    HA   VAL  35           HA       VAL  35  20.967  -5.357   9.324
  224    HB   VAL  35           HB       VAL  35  18.417  -5.348  10.025
  225   1HG1  VAL  35          1HG1      VAL  35  18.513  -7.212   7.660
  226   2HG1  VAL  35          2HG1      VAL  35  17.798  -5.604   7.574
  227   3HG1  VAL  35          3HG1      VAL  35  17.120  -6.814   8.665
  228   1HG2  VAL  35          1HG2      VAL  35  20.183  -7.754   9.444
  229   2HG2  VAL  35          2HG2      VAL  35  18.722  -7.832  10.417
  230   3HG2  VAL  35          3HG2      VAL  35  20.082  -6.863  10.955
  231    H    GLY  36           H        GLY  36  20.741  -6.970   7.577
  232   1HA   GLY  36          2HA       GLY  36  21.134  -7.648   5.418
  233   2HA   GLY  36          1HA       GLY  36  19.994  -6.384   4.964
  234    H    CYS  37           H        CYS  37  22.349  -5.064   6.681
  235    HA   CYS  37           HA       CYS  37  23.541  -3.619   4.581
  236   1HB   CYS  37          2HB       CYS  37  23.006  -2.793   6.760
  237   2HB   CYS  37          1HB       CYS  37  24.403  -3.678   7.319
  238    H    VAL  38           H        VAL  38  25.136  -5.397   7.155
  239    HA   VAL  38           HA       VAL  38  27.081  -6.618   5.298
  240    HB   VAL  38           HB       VAL  38  27.727  -5.375   8.034
  241   1HG1  VAL  38          1HG1      VAL  38  29.378  -7.087   7.483
  242   2HG1  VAL  38          2HG1      VAL  38  30.141  -5.557   7.107
  243   3HG1  VAL  38          3HG1      VAL  38  29.479  -6.545   5.817
  244   1HG2  VAL  38          1HG2      VAL  38  28.956  -3.589   6.674
  245   2HG2  VAL  38          2HG2      VAL  38  27.209  -3.511   6.576
  246   3HG2  VAL  38          3HG2      VAL  38  28.131  -4.203   5.250
  247    H    ASN  39           H        ASN  39  24.889  -7.737   5.981
  248    HA   ASN  39           HA       ASN  39  24.980  -9.338   8.417
  249   1HB   ASN  39          2HB       ASN  39  22.931 -10.402   7.461
  250   2HB   ASN  39          1HB       ASN  39  22.826  -8.652   7.399
  251   1HD2  ASN  39          1HD2      ASN  39  22.540 -11.464   5.523
  252   2HD2  ASN  39          2HD2      ASN  39  22.583 -10.741   3.987
  Start of MODEL    8
    1    H    ALA   1           H        ALA   1   2.264  -3.523   0.257
    2    HA   ALA   1           HA       ALA   1   3.314  -2.383  -1.501
    3   1HB   ALA   1          1HB       ALA   1   3.252   0.080  -1.214
    4   2HB   ALA   1          2HB       ALA   1   3.101  -0.113   0.524
    5   3HB   ALA   1          3HB       ALA   1   1.804  -0.640  -0.533
    6    H    THR   2           H        THR   2   5.296  -1.755  -2.311
    7    HA   THR   2           HA       THR   2   7.601  -2.132  -0.502
    8    HB   THR   2           HB       THR   2   8.086  -1.512  -3.387
    9    HG1  THR   2           HG1      THR   2   6.134  -2.711  -3.435
   10   1HG2  THR   2          1HG2      THR   2   8.802  -3.974  -1.702
   11   2HG2  THR   2          2HG2      THR   2   9.818  -2.543  -1.766
   12   3HG2  THR   2          3HG2      THR   2   9.548  -3.492  -3.216
   13    H    CYS   3           H        CYS   3   9.521  -0.742  -1.032
   14    HA   CYS   3           HA       CYS   3   8.901   2.016  -0.559
   15   1HB   CYS   3          2HB       CYS   3  11.494   0.877  -0.692
   16   2HB   CYS   3          1HB       CYS   3  10.799   2.026   0.414
   17    H    ARG   4           H        ARG   4  10.568   3.560  -1.445
   18    HA   ARG   4           HA       ARG   4  10.295   3.864  -4.199
   19   1HB   ARG   4          2HB       ARG   4  11.547   5.078  -1.939
   20   2HB   ARG   4          1HB       ARG   4  12.107   5.632  -3.455
   21   1HG   ARG   4          2HG       ARG   4   9.464   5.843  -3.933
   22   2HG   ARG   4          1HG       ARG   4   9.370   5.773  -2.181
   23   1HD   ARG   4          2HD       ARG   4  11.054   7.777  -3.745
   24   2HD   ARG   4          1HD       ARG   4   9.509   8.151  -2.979
   25    HE   ARG   4           HE       ARG   4  10.845   7.171  -0.859
   26   1HH1  ARG   4          2HH1      ARG   4  11.898   9.372  -3.336
   27   2HH1  ARG   4          1HH1      ARG   4  13.015  10.172  -2.287
   28   1HH2  ARG   4          1HH2      ARG   4  12.247   8.171   0.464
   29   2HH2  ARG   4          2HH2      ARG   4  13.215   9.488  -0.112
   30    HA   PRO   5           HA       PRO   5  13.924   1.970  -5.808
   31   1HB   PRO   5          2HB       PRO   5  15.002   4.096  -7.425
   32   2HB   PRO   5          1HB       PRO   5  13.937   2.803  -7.955
   33   1HG   PRO   5          2HG       PRO   5  13.277   5.611  -7.531
   34   2HG   PRO   5          1HG       PRO   5  12.255   4.348  -8.198
   35   1HD   PRO   5          2HD       PRO   5  12.087   5.547  -5.572
   36   2HD   PRO   5          1HD       PRO   5  11.058   4.267  -6.239
   37    H    ASP   6           H        ASP   6  14.264   4.927  -4.397
   38    HA   ASP   6           HA       ASP   6  17.099   4.800  -3.879
   39   1HB   ASP   6          2HB       ASP   6  16.765   6.986  -2.847
   40   2HB   ASP   6          1HB       ASP   6  16.118   6.921  -4.476
   41    H    GLU   7           H        GLU   7  14.202   3.872  -2.387
   42    HA   GLU   7           HA       GLU   7  15.197   3.939   0.334
   43   1HB   GLU   7          2HB       GLU   7  12.592   3.524  -1.029
   44   2HB   GLU   7          1HB       GLU   7  12.791   2.636   0.468
   45   1HG   GLU   7          2HG       GLU   7  13.564   4.628   1.544
   46   2HG   GLU   7          1HG       GLU   7  13.259   5.574   0.141
   47    H    PHE   8           H        PHE   8  14.732   2.320   1.676
   48    HA   PHE   8           HA       PHE   8  15.448  -0.399   0.835
   49   1HB   PHE   8          2HB       PHE   8  17.252   0.822   1.885
   50   2HB   PHE   8          1HB       PHE   8  16.323   1.016   3.368
   51    HD1  PHE   8           HD1      PHE   8  17.772  -1.601   1.112
   52    HD2  PHE   8           HD2      PHE   8  16.251  -0.718   4.995
   53    HE1  PHE   8           HE1      PHE   8  18.487  -3.810   1.902
   54    HE2  PHE   8           HE2      PHE   8  16.968  -2.925   5.778
   55    HZ   PHE   8           HZ       PHE   8  18.087  -4.477   4.235
   56    H    GLN   9           H        GLN   9  14.466  -2.047   1.876
   57    HA   GLN   9           HA       GLN   9  12.194  -1.367   3.654
   58   1HB   GLN   9          2HB       GLN   9  11.841  -2.166   1.475
   59   2HB   GLN   9          1HB       GLN   9  12.608  -3.677   1.846
   60   1HG   GLN   9          2HG       GLN   9  10.736  -4.460   3.058
   61   2HG   GLN   9          1HG       GLN   9  10.454  -2.899   3.807
   62   1HE2  GLN   9          1HE2      GLN   9   8.517  -1.998   3.198
   63   2HE2  GLN   9          2HE2      GLN   9   7.751  -2.226   1.700
   64    H    CYS  10           H        CYS  10  11.824  -2.362   5.424
   65    HA   CYS  10           HA       CYS  10  13.846  -3.871   6.729
   66   1HB   CYS  10          2HB       CYS  10  11.234  -2.728   7.433
   67   2HB   CYS  10          1HB       CYS  10  12.149  -3.624   8.522
   68    H    SER  11           H        SER  11  12.731  -5.466   8.291
   69    HA   SER  11           HA       SER  11  11.706  -7.640   6.678
   70   1HB   SER  11          2HB       SER  11  13.576  -7.989   8.377
   71   2HB   SER  11          1HB       SER  11  12.405  -7.645   9.658
   72    HG   SER  11           HG       SER  11  12.149  -9.627   7.646
   73    H    ASP  12           H        ASP  12  10.685  -5.306   9.110
   74    HA   ASP  12           HA       ASP  12   8.206  -6.599   9.650
   75   1HB   ASP  12          2HB       ASP  12   8.075  -4.986  11.311
   76   2HB   ASP  12          1HB       ASP  12   9.741  -5.468  11.215
   77    H    GLY  13           H        GLY  13   9.254  -5.186   7.019
   78   1HA   GLY  13          2HA       GLY  13   8.220  -4.369   5.166
   79   2HA   GLY  13          1HA       GLY  13   6.743  -4.305   6.087
   80    H    ASN  14           H        ASN  14   8.711  -2.538   7.980
   81    HA   ASN  14           HA       ASN  14   7.693  -0.042   6.967
   82   1HB   ASN  14          2HB       ASN  14   7.827  -0.388   9.346
   83   2HB   ASN  14          1HB       ASN  14   9.551  -0.688   9.263
   84   1HD2  ASN  14          1HD2      ASN  14  10.876   1.271   8.366
   85   2HD2  ASN  14          2HD2      ASN  14  10.345   2.819   8.815
   86    H    CYS  15           H        CYS  15   8.721   1.252   5.519
   87    HA   CYS  15           HA       CYS  15  11.439   0.540   4.647
   88   1HB   CYS  15          2HB       CYS  15   9.737   2.651   3.623
   89   2HB   CYS  15          1HB       CYS  15  11.129   1.950   2.848
   90    H    ILE  16           H        ILE  16  13.128   2.048   4.373
   91    HA   ILE  16           HA       ILE  16  13.095   4.609   5.783
   92    HB   ILE  16           HB       ILE  16  15.303   4.089   6.664
   93   1HG1  ILE  16          2HG1      ILE  16  14.949   1.181   5.688
   94   2HG1  ILE  16          1HG1      ILE  16  15.779   2.374   4.738
   95   1HG2  ILE  16          1HG2      ILE  16  13.373   1.873   7.410
   96   2HG2  ILE  16          2HG2      ILE  16  13.380   3.506   8.087
   97   3HG2  ILE  16          3HG2      ILE  16  14.750   2.433   8.338
   98   1HD1  ILE  16          1HD1      ILE  16  16.716   2.306   7.495
   99   2HD1  ILE  16          2HD1      ILE  16  17.532   2.503   5.956
  100   3HD1  ILE  16          3HD1      ILE  16  17.059   0.890   6.493
  101    H    HIS  17           H        HIS  17  14.944   5.932   4.925
  102    HA   HIS  17           HA       HIS  17  15.113   5.686   2.055
  103   1HB   HIS  17          2HB       HIS  17  15.164   7.758   3.416
  104   2HB   HIS  17          1HB       HIS  17  16.836   7.291   3.706
  105    HD1  HIS  17           HD1      HIS  17  18.252   7.053   1.371
  106    HD2  HIS  17           HD2      HIS  17  14.677   8.980   1.001
  107    HE1  HIS  17           HE1      HIS  17  18.307   8.200  -0.810
  108    H    GLY  18           H        GLY  18  17.116   5.328   0.854
  109   1HA   GLY  18          2HA       GLY  18  18.564   3.133   1.600
  110   2HA   GLY  18          1HA       GLY  18  19.064   4.261   0.348
  111    H    SER  19           H        SER  19  18.905   6.399   2.481
  112    HA   SER  19           HA       SER  19  21.639   6.288   3.333
  113   1HB   SER  19          2HB       SER  19  21.124   8.740   3.998
  114   2HB   SER  19          1HB       SER  19  20.900   8.364   2.283
  115    HG   SER  19           HG       SER  19  18.786   7.873   4.049
  116    H    ARG  20           H        ARG  20  18.561   5.714   4.706
  117    HA   ARG  20           HA       ARG  20  19.263   6.300   7.422
  118   1HB   ARG  20          2HB       ARG  20  16.990   5.673   5.872
  119   2HB   ARG  20          1HB       ARG  20  16.937   5.131   7.518
  120   1HG   ARG  20          2HG       ARG  20  17.551   7.989   6.603
  121   2HG   ARG  20          1HG       ARG  20  15.962   7.469   7.116
  122   1HD   ARG  20          2HD       ARG  20  16.658   8.215   9.202
  123   2HD   ARG  20          1HD       ARG  20  17.446   6.653   9.293
  124    HE   ARG  20           HE       ARG  20  19.519   7.675   8.989
  125   1HH1  ARG  20          2HH1      ARG  20  16.953   9.888   8.263
  126   2HH1  ARG  20          1HH1      ARG  20  18.011  11.254   8.158
  127   1HH2  ARG  20          1HH2      ARG  20  20.873   9.385   8.859
  128   2HH2  ARG  20          2HH2      ARG  20  20.264  10.966   8.499
  129    H    GLN  21           H        GLN  21  19.822   3.815   5.380
  130    HA   GLN  21           HA       GLN  21  19.569   1.637   7.266
  131   1HB   GLN  21          2HB       GLN  21  18.932   1.539   4.790
  132   2HB   GLN  21          1HB       GLN  21  20.631   1.675   4.447
  133   1HG   GLN  21          2HG       GLN  21  20.870  -0.451   6.033
  134   2HG   GLN  21          1HG       GLN  21  19.133  -0.600   5.834
  135   1HE2  GLN  21          1HE2      GLN  21  20.816  -2.636   4.922
  136   2HE2  GLN  21          2HE2      GLN  21  20.796  -2.668   3.224
  137    H    CYS  22           H        CYS  22  21.299   0.754   8.323
  138    HA   CYS  22           HA       CYS  22  23.453   0.415   9.134
  139   1HB   CYS  22          2HB       CYS  22  24.514   1.431   6.608
  140   2HB   CYS  22          1HB       CYS  22  25.213   0.245   7.650
  141    H    ASP  23           H        ASP  23  22.555   2.450  10.166
  142    HA   ASP  23           HA       ASP  23  24.863   4.243  10.601
  143   1HB   ASP  23          2HB       ASP  23  23.046   6.202  10.601
  144   2HB   ASP  23          1HB       ASP  23  23.799   5.719   9.097
  145    H    ARG  24           H        ARG  24  22.746   2.217  11.601
  146    HA   ARG  24           HA       ARG  24  21.697   1.534  13.417
  147   1HB   ARG  24          2HB       ARG  24  22.926   1.607  15.327
  148   2HB   ARG  24          1HB       ARG  24  24.091   1.638  14.037
  149   1HG   ARG  24          2HG       ARG  24  24.829   3.814  14.511
  150   2HG   ARG  24          1HG       ARG  24  23.310   4.323  15.217
  151   1HD   ARG  24          2HD       ARG  24  24.960   4.100  17.011
  152   2HD   ARG  24          1HD       ARG  24  23.770   2.820  17.190
  153    HE   ARG  24           HE       ARG  24  25.414   1.235  16.642
  154   1HH1  ARG  24          2HH1      ARG  24  26.510   4.439  15.891
  155   2HH1  ARG  24          1HH1      ARG  24  28.132   3.927  15.571
  156   1HH2  ARG  24          1HH2      ARG  24  27.456   0.571  16.238
  157   2HH2  ARG  24          2HH2      ARG  24  28.676   1.706  15.769
  158    H    GLU  25           H        GLU  25  20.746   3.945  12.334
  159    HA   GLU  25           HA       GLU  25  19.654   5.434  14.680
  160   1HB   GLU  25          2HB       GLU  25  19.112   5.862  11.702
  161   2HB   GLU  25          1HB       GLU  25  18.598   6.927  12.992
  162   1HG   GLU  25          2HG       GLU  25  20.885   7.592  13.477
  163   2HG   GLU  25          1HG       GLU  25  21.521   6.384  12.372
  164    H    TYR  26           H        TYR  26  19.087   2.988  14.523
  165    HA   TYR  26           HA       TYR  26  17.287   1.375  13.770
  166   1HB   TYR  26          2HB       TYR  26  17.952   1.034  15.975
  167   2HB   TYR  26          1HB       TYR  26  17.415   2.604  16.524
  168    HD1  TYR  26           HD1      TYR  26  15.233   2.859  17.519
  169    HD2  TYR  26           HD2      TYR  26  16.251  -0.776  15.574
  170    HE1  TYR  26           HE1      TYR  26  13.226   1.807  18.440
  171    HE2  TYR  26           HE2      TYR  26  14.236  -1.836  16.497
  172    HH   TYR  26           HH       TYR  26  11.707  -0.155  17.777
  173    H    ASP  27           H        ASP  27  16.109   2.618  12.067
  174    HA   ASP  27           HA       ASP  27  14.064   4.362  12.705
  175   1HB   ASP  27          2HB       ASP  27  14.787   2.826  10.250
  176   2HB   ASP  27          1HB       ASP  27  13.635   4.124  10.261
  177    H    CYS  28           H        CYS  28  14.207   1.125  11.853
  178    HA   CYS  28           HA       CYS  28  11.286   0.714  11.886
  179   1HB   CYS  28          2HB       CYS  28  13.677  -0.871  11.076
  180   2HB   CYS  28          1HB       CYS  28  12.248  -1.737  11.501
  181    H    LYS  29           H        LYS  29  10.188  -0.414  13.333
  182    HA   LYS  29           HA       LYS  29  10.973  -0.462  15.989
  183   1HB   LYS  29          2HB       LYS  29   8.857  -1.843  16.316
  184   2HB   LYS  29          1HB       LYS  29   8.621  -0.371  15.407
  185   1HG   LYS  29          2HG       LYS  29   9.306  -2.446  13.486
  186   2HG   LYS  29          1HG       LYS  29   8.134  -3.125  14.586
  187   1HD   LYS  29          2HD       LYS  29   6.868  -2.141  12.823
  188   2HD   LYS  29          1HD       LYS  29   6.695  -1.043  14.177
  189   1HE   LYS  29          2HE       LYS  29   8.262   0.528  13.228
  190   2HE   LYS  29          1HE       LYS  29   8.841  -0.638  12.047
  191   1HZ   LYS  29          1HZ       LYS  29   6.658  -0.629  11.028
  192   2HZ   LYS  29          2HZ       LYS  29   7.354   0.920  11.041
  193   3HZ   LYS  29          3HZ       LYS  29   6.126   0.532  12.150
  194    H    ASP  30           H        ASP  30  11.246  -2.728  13.572
  195    HA   ASP  30           HA       ASP  30  11.967  -4.978  15.216
  196   1HB   ASP  30          2HB       ASP  30  10.429  -5.145  13.415
  197   2HB   ASP  30          1HB       ASP  30  11.774  -4.726  12.361
  198    H    MET  31           H        MET  31  13.590  -2.433  14.273
  199    HA   MET  31           HA       MET  31  15.811  -1.821  13.844
  200   1HB   MET  31          2HB       MET  31  15.942  -3.273  16.021
  201   2HB   MET  31          1HB       MET  31  16.568  -4.543  14.996
  202   1HG   MET  31          2HG       MET  31  18.600  -3.569  14.825
  203   2HG   MET  31          1HG       MET  31  17.941  -1.988  14.532
  204   1HE   MET  31          1HE       MET  31  18.219  -4.615  17.400
  205   2HE   MET  31          2HE       MET  31  19.309  -3.771  18.479
  206   3HE   MET  31          3HE       MET  31  19.874  -4.223  16.877
  207    H    SER  32           H        SER  32  14.287  -3.824  12.009
  208    HA   SER  32           HA       SER  32  16.323  -5.280  10.638
  209   1HB   SER  32          2HB       SER  32  13.435  -4.590   9.928
  210   2HB   SER  32          1HB       SER  32  14.440  -5.727   9.000
  211    HG   SER  32           HG       SER  32  13.713  -5.834  11.729
  212    H    ASP  33           H        ASP  33  15.746  -2.050  10.682
  213    HA   ASP  33           HA       ASP  33  16.324  -1.504   7.883
  214   1HB   ASP  33          2HB       ASP  33  15.887   0.674   8.460
  215   2HB   ASP  33          1HB       ASP  33  14.768  -0.249   9.393
  216    H    GLU  34           H        GLU  34  17.851  -2.289  10.748
  217    HA   GLU  34           HA       GLU  34  20.452  -1.242   9.936
  218   1HB   GLU  34          2HB       GLU  34  18.928  -1.479  12.491
  219   2HB   GLU  34          1HB       GLU  34  20.659  -1.503  12.549
  220   1HG   GLU  34          2HG       GLU  34  18.810   0.684  11.514
  221   2HG   GLU  34          1HG       GLU  34  19.886   0.845  12.865
  222    H    VAL  35           H        VAL  35  19.105  -3.688   9.230
  223    HA   VAL  35           HA       VAL  35  20.992  -5.607  10.241
  224    HB   VAL  35           HB       VAL  35  18.433  -5.527  10.753
  225   1HG1  VAL  35          1HG1      VAL  35  17.895  -6.071   8.369
  226   2HG1  VAL  35          2HG1      VAL  35  17.220  -7.214   9.535
  227   3HG1  VAL  35          3HG1      VAL  35  18.666  -7.637   8.617
  228   1HG2  VAL  35          1HG2      VAL  35  18.663  -7.916  11.513
  229   2HG2  VAL  35          2HG2      VAL  35  20.029  -6.914  11.965
  230   3HG2  VAL  35          3HG2      VAL  35  20.163  -8.018  10.605
  231    H    GLY  36           H        GLY  36  21.212  -7.368   8.974
  232   1HA   GLY  36          2HA       GLY  36  21.896  -8.550   7.128
  233   2HA   GLY  36          1HA       GLY  36  20.694  -7.610   6.241
  234    H    CYS  37           H        CYS  37  22.544  -5.479   7.635
  235    HA   CYS  37           HA       CYS  37  23.828  -4.474   5.381
  236   1HB   CYS  37          2HB       CYS  37  23.158  -3.286   7.380
  237   2HB   CYS  37          1HB       CYS  37  24.658  -3.883   8.056
  238    H    VAL  38           H        VAL  38  25.053  -6.155   8.172
  239    HA   VAL  38           HA       VAL  38  27.723  -6.507   6.982
  240    HB   VAL  38           HB       VAL  38  27.413  -5.638   9.364
  241   1HG1  VAL  38          1HG1      VAL  38  26.499  -6.927  11.114
  242   2HG1  VAL  38          2HG1      VAL  38  26.601  -8.432  10.224
  243   3HG1  VAL  38          3HG1      VAL  38  25.391  -7.237   9.794
  244   1HG2  VAL  38          1HG2      VAL  38  29.494  -6.948   8.599
  245   2HG2  VAL  38          2HG2      VAL  38  28.842  -8.313   9.491
  246   3HG2  VAL  38          3HG2      VAL  38  29.227  -6.821  10.327
  247    H    ASN  39           H        ASN  39  25.769  -7.676   5.752
  248    HA   ASN  39           HA       ASN  39  25.046  -9.656   4.760
  249   1HB   ASN  39          2HB       ASN  39  27.703  -9.883   4.859
  250   2HB   ASN  39          1HB       ASN  39  27.369 -11.134   6.046
  251   1HD2  ASN  39          1HD2      ASN  39  26.849 -10.191   2.663
  252   2HD2  ASN  39          2HD2      ASN  39  26.440 -11.744   2.111
  Start of MODEL    9
    1    H    ALA   1           H        ALA   1   2.074  -0.167  -2.222
    2    HA   ALA   1           HA       ALA   1   2.589  -1.173   0.211
    3   1HB   ALA   1          1HB       ALA   1   2.943  -3.432  -0.824
    4   2HB   ALA   1          2HB       ALA   1   3.221  -2.662  -2.379
    5   3HB   ALA   1          3HB       ALA   1   1.644  -2.555  -1.615
    6    H    THR   2           H        THR   2   5.036  -1.280  -2.350
    7    HA   THR   2           HA       THR   2   7.195  -1.854  -0.399
    8    HB   THR   2           HB       THR   2   7.851  -1.371  -3.305
    9    HG1  THR   2           HG1      THR   2   5.854  -2.440  -3.409
   10   1HG2  THR   2          1HG2      THR   2   9.527  -2.415  -1.707
   11   2HG2  THR   2          2HG2      THR   2   9.061  -3.553  -2.958
   12   3HG2  THR   2          3HG2      THR   2   8.369  -3.688  -1.351
   13    H    CYS   3           H        CYS   3   9.290  -0.682  -0.963
   14    HA   CYS   3           HA       CYS   3   8.946   2.107  -0.426
   15   1HB   CYS   3          2HB       CYS   3  11.418   0.742  -0.668
   16   2HB   CYS   3          1HB       CYS   3  10.875   1.925   0.484
   17    H    ARG   4           H        ARG   4  10.707   3.520  -1.323
   18    HA   ARG   4           HA       ARG   4  10.399   3.912  -4.064
   19   1HB   ARG   4          2HB       ARG   4  11.758   4.998  -1.803
   20   2HB   ARG   4          1HB       ARG   4  12.392   5.501  -3.304
   21   1HG   ARG   4          2HG       ARG   4   9.522   5.700  -3.501
   22   2HG   ARG   4          1HG       ARG   4   9.928   6.246  -1.893
   23   1HD   ARG   4          2HD       ARG   4  11.204   8.079  -2.678
   24   2HD   ARG   4          1HD       ARG   4  11.496   7.349  -4.251
   25    HE   ARG   4           HE       ARG   4   9.174   8.917  -3.499
   26   1HH1  ARG   4          1HH2      ARG   4  10.365   6.391  -5.552
   27   2HH1  ARG   4          2HH2      ARG   4   9.169   6.663  -6.773
   28   1HH2  ARG   4          2HH1      ARG   4   7.647   9.277  -5.028
   29   2HH2  ARG   4          1HH1      ARG   4   7.603   8.320  -6.471
   30    HA   PRO   5           HA       PRO   5  13.839   1.788  -5.790
   31   1HB   PRO   5          2HB       PRO   5  14.983   3.810  -7.466
   32   2HB   PRO   5          1HB       PRO   5  13.759   2.639  -7.935
   33   1HG   PRO   5          2HG       PRO   5  13.426   5.503  -7.412
   34   2HG   PRO   5          1HG       PRO   5  12.267   4.380  -8.108
   35   1HD   PRO   5          2HD       PRO   5  12.249   5.481  -5.445
   36   2HD   PRO   5          1HD       PRO   5  11.118   4.293  -6.115
   37    H    ASP   6           H        ASP   6  14.358   4.732  -4.420
   38    HA   ASP   6           HA       ASP   6  17.199   4.502  -3.957
   39   1HB   ASP   6          2HB       ASP   6  16.911   6.713  -2.908
   40   2HB   ASP   6          1HB       ASP   6  16.384   6.641  -4.581
   41    H    GLU   7           H        GLU   7  14.351   3.593  -2.427
   42    HA   GLU   7           HA       GLU   7  15.336   3.790   0.291
   43   1HB   GLU   7          2HB       GLU   7  12.745   3.284  -1.037
   44   2HB   GLU   7          1HB       GLU   7  12.962   2.393   0.454
   45   1HG   GLU   7          2HG       GLU   7  13.784   4.467   1.472
   46   2HG   GLU   7          1HG       GLU   7  13.293   5.344   0.087
   47    H    PHE   8           H        PHE   8  14.933   2.212   1.711
   48    HA   PHE   8           HA       PHE   8  15.722  -0.518   0.986
   49   1HB   PHE   8          2HB       PHE   8  17.477   0.758   2.026
   50   2HB   PHE   8          1HB       PHE   8  16.507   1.054   3.464
   51    HD1  PHE   8           HD1      PHE   8  18.257  -1.609   1.533
   52    HD2  PHE   8           HD2      PHE   8  16.161  -0.671   5.124
   53    HE1  PHE   8           HE1      PHE   8  18.945  -3.755   2.504
   54    HE2  PHE   8           HE2      PHE   8  16.852  -2.813   6.087
   55    HZ   PHE   8           HZ       PHE   8  18.245  -4.361   4.782
   56    H    GLN   9           H        GLN   9  14.646  -2.095   1.956
   57    HA   GLN   9           HA       GLN   9  12.329  -1.353   3.651
   58   1HB   GLN   9          2HB       GLN   9  12.051  -2.199   1.487
   59   2HB   GLN   9          1HB       GLN   9  12.786  -3.717   1.916
   60   1HG   GLN   9          2HG       GLN   9  10.907  -4.316   3.355
   61   2HG   GLN   9          1HG       GLN   9  10.399  -2.644   3.522
   62   1HE2  GLN   9          1HE2      GLN   9  10.825  -5.081   0.892
   63   2HE2  GLN   9          2HE2      GLN   9   9.411  -4.642   0.063
   64    H    CYS  10           H        CYS  10  11.871  -2.248   5.424
   65    HA   CYS  10           HA       CYS  10  13.746  -3.654   6.983
   66   1HB   CYS  10          2HB       CYS  10  10.999  -2.651   7.369
   67   2HB   CYS  10          1HB       CYS  10  11.925  -3.364   8.582
   68    H    SER  11           H        SER  11  12.630  -5.334   8.427
   69    HA   SER  11           HA       SER  11  11.753  -7.504   6.723
   70   1HB   SER  11          2HB       SER  11  13.559  -7.809   8.494
   71   2HB   SER  11          1HB       SER  11  12.309  -7.574   9.718
   72    HG   SER  11           HG       SER  11  11.149  -9.281   8.758
   73    H    ASP  12           H        ASP  12  10.510  -5.239   9.080
   74    HA   ASP  12           HA       ASP  12   8.095  -6.659   9.579
   75   1HB   ASP  12          2HB       ASP  12   7.785  -4.810  11.088
   76   2HB   ASP  12          1HB       ASP  12   9.392  -5.483  11.248
   77    H    GLY  13           H        GLY  13   9.068  -5.325   6.916
   78   1HA   GLY  13          2HA       GLY  13   7.942  -4.708   5.029
   79   2HA   GLY  13          1HA       GLY  13   6.503  -4.551   5.993
   80    H    ASN  14           H        ASN  14   8.458  -2.628   7.686
   81    HA   ASN  14           HA       ASN  14   7.461  -0.209   6.484
   82   1HB   ASN  14          2HB       ASN  14   7.688  -0.392   8.890
   83   2HB   ASN  14          1HB       ASN  14   9.412  -0.688   8.730
   84   1HD2  ASN  14          1HD2      ASN  14   6.903   1.794   8.137
   85   2HD2  ASN  14          2HD2      ASN  14   7.950   3.123   8.278
   86    H    CYS  15           H        CYS  15   9.029   1.613   6.021
   87    HA   CYS  15           HA       CYS  15  11.512   0.624   4.667
   88   1HB   CYS  15          2HB       CYS  15   9.802   2.691   3.566
   89   2HB   CYS  15          1HB       CYS  15  11.157   1.908   2.809
   90    H    ILE  16           H        ILE  16  13.216   2.020   4.448
   91    HA   ILE  16           HA       ILE  16  13.184   4.658   5.714
   92    HB   ILE  16           HB       ILE  16  15.367   4.166   6.660
   93   1HG1  ILE  16          2HG1      ILE  16  15.049   1.235   5.732
   94   2HG1  ILE  16          1HG1      ILE  16  15.920   2.417   4.803
   95   1HG2  ILE  16          1HG2      ILE  16  14.810   2.611   8.384
   96   2HG2  ILE  16          2HG2      ILE  16  13.516   1.902   7.438
   97   3HG2  ILE  16          3HG2      ILE  16  13.374   3.559   8.032
   98   1HD1  ILE  16          1HD1      ILE  16  17.618   2.542   6.073
   99   2HD1  ILE  16          2HD1      ILE  16  17.118   0.942   6.619
  100   3HD1  ILE  16          3HD1      ILE  16  16.757   2.376   7.589
  101    H    HIS  17           H        HIS  17  15.049   5.934   4.833
  102    HA   HIS  17           HA       HIS  17  15.259   5.594   1.981
  103   1HB   HIS  17          2HB       HIS  17  15.360   7.714   3.244
  104   2HB   HIS  17          1HB       HIS  17  17.000   7.195   3.619
  105    HD1  HIS  17           HD1      HIS  17  18.663   7.365   1.637
  106    HD2  HIS  17           HD2      HIS  17  14.847   8.193   0.453
  107    HE1  HIS  17           HE1      HIS  17  18.822   8.201  -0.674
  108    H    GLY  18           H        GLY  18  17.276   5.150   0.809
  109   1HA   GLY  18          2HA       GLY  18  18.648   2.941   1.662
  110   2HA   GLY  18          1HA       GLY  18  19.189   3.996   0.362
  111    H    SER  19           H        SER  19  19.082   6.237   2.371
  112    HA   SER  19           HA       SER  19  21.800   6.066   3.266
  113   1HB   SER  19          2HB       SER  19  20.840   8.088   2.026
  114   2HB   SER  19          1HB       SER  19  19.926   8.462   3.495
  115    HG   SER  19           HG       SER  19  21.855   8.524   4.634
  116    H    ARG  20           H        ARG  20  18.685   5.643   4.605
  117    HA   ARG  20           HA       ARG  20  19.349   6.375   7.295
  118   1HB   ARG  20          2HB       ARG  20  17.093   5.701   5.736
  119   2HB   ARG  20          1HB       ARG  20  17.002   5.267   7.417
  120   1HG   ARG  20          2HG       ARG  20  17.486   7.637   8.034
  121   2HG   ARG  20          1HG       ARG  20  17.732   8.038   6.342
  122   1HD   ARG  20          2HD       ARG  20  15.479   8.745   7.045
  123   2HD   ARG  20          1HD       ARG  20  15.350   7.437   5.876
  124    HE   ARG  20           HE       ARG  20  15.400   6.562   8.680
  125   1HH1  ARG  20          1HH2      ARG  20  13.465   7.565   5.977
  126   2HH1  ARG  20          2HH2      ARG  20  12.036   6.795   6.577
  127   1HH2  ARG  20          2HH1      ARG  20  13.603   5.594   9.451
  128   2HH2  ARG  20          1HH1      ARG  20  12.114   5.658   8.570
  129    H    GLN  21           H        GLN  21  19.932   3.750   5.423
  130    HA   GLN  21           HA       GLN  21  19.592   1.735   7.474
  131   1HB   GLN  21          2HB       GLN  21  19.004   1.440   4.995
  132   2HB   GLN  21          1HB       GLN  21  20.711   1.506   4.692
  133   1HG   GLN  21          2HG       GLN  21  20.684  -0.438   6.661
  134   2HG   GLN  21          1HG       GLN  21  19.061  -0.654   6.043
  135   1HE2  GLN  21          1HE2      GLN  21  21.126  -2.632   5.855
  136   2HE2  GLN  21          2HE2      GLN  21  21.471  -2.874   4.212
  137    H    CYS  22           H        CYS  22  21.311   0.830   8.549
  138    HA   CYS  22           HA       CYS  22  23.486   0.508   9.361
  139   1HB   CYS  22          2HB       CYS  22  24.716   1.573   6.944
  140   2HB   CYS  22          1HB       CYS  22  25.164   0.196   7.881
  141    H    ASP  23           H        ASP  23  22.522   2.532  10.399
  142    HA   ASP  23           HA       ASP  23  24.789   4.383  10.828
  143   1HB   ASP  23          2HB       ASP  23  22.814   6.275  10.830
  144   2HB   ASP  23          1HB       ASP  23  23.722   5.900   9.379
  145    H    ARG  24           H        ARG  24  22.806   2.264  11.848
  146    HA   ARG  24           HA       ARG  24  21.713   1.574  13.644
  147   1HB   ARG  24          2HB       ARG  24  22.986   1.670  15.581
  148   2HB   ARG  24          1HB       ARG  24  24.086   1.571  14.237
  149   1HG   ARG  24          2HG       ARG  24  24.828   3.829  14.472
  150   2HG   ARG  24          1HG       ARG  24  23.469   4.293  15.473
  151   1HD   ARG  24          2HD       ARG  24  24.670   3.818  17.331
  152   2HD   ARG  24          1HD       ARG  24  24.846   2.143  16.843
  153    HE   ARG  24           HE       ARG  24  26.838   4.249  16.553
  154   1HH1  ARG  24          1HH2      ARG  24  25.691   1.212  15.331
  155   2HH1  ARG  24          2HH2      ARG  24  27.230   0.771  14.673
  156   1HH2  ARG  24          2HH1      ARG  24  28.790   3.707  15.727
  157   2HH2  ARG  24          1HH1      ARG  24  29.010   2.200  14.901
  158    H    GLU  25           H        GLU  25  20.793   3.982  12.605
  159    HA   GLU  25           HA       GLU  25  19.692   5.447  14.976
  160   1HB   GLU  25          2HB       GLU  25  19.735   5.996  11.991
  161   2HB   GLU  25          1HB       GLU  25  18.711   6.927  13.064
  162   1HG   GLU  25          2HG       GLU  25  21.654   6.671  13.732
  163   2HG   GLU  25          1HG       GLU  25  21.161   7.816  12.501
  164    H    TYR  26           H        TYR  26  19.095   3.067  14.747
  165    HA   TYR  26           HA       TYR  26  17.346   1.510  13.790
  166   1HB   TYR  26          2HB       TYR  26  17.876   0.912  15.916
  167   2HB   TYR  26          1HB       TYR  26  17.702   2.519  16.558
  168    HD1  TYR  26           HD1      TYR  26  15.727   3.193  17.713
  169    HD2  TYR  26           HD2      TYR  26  15.799  -0.540  15.670
  170    HE1  TYR  26           HE1      TYR  26  13.639   2.553  18.814
  171    HE2  TYR  26           HE2      TYR  26  13.711  -1.176  16.777
  172    HH   TYR  26           HH       TYR  26  11.632   0.655  17.981
  173    H    ASP  27           H        ASP  27  16.064   2.558  12.154
  174    HA   ASP  27           HA       ASP  27  14.069   4.388  12.727
  175   1HB   ASP  27          2HB       ASP  27  14.746   2.686  10.367
  176   2HB   ASP  27          1HB       ASP  27  13.525   3.909  10.323
  177    H    CYS  28           H        CYS  28  14.109   1.143  11.866
  178    HA   CYS  28           HA       CYS  28  11.205   0.740  12.202
  179   1HB   CYS  28          2HB       CYS  28  13.481  -0.817  11.055
  180   2HB   CYS  28          1HB       CYS  28  12.142  -1.723  11.655
  181    H    LYS  29           H        LYS  29  10.270  -0.272  13.846
  182    HA   LYS  29           HA       LYS  29  11.522  -0.471  16.318
  183   1HB   LYS  29          2HB       LYS  29   8.910  -1.665  15.307
  184   2HB   LYS  29          1HB       LYS  29   9.381  -1.730  16.989
  185   1HG   LYS  29          2HG       LYS  29   8.114   0.201  17.024
  186   2HG   LYS  29          1HG       LYS  29   9.696   0.891  16.761
  187   1HD   LYS  29          2HD       LYS  29   8.347   0.148  14.215
  188   2HD   LYS  29          1HD       LYS  29   7.399   1.267  15.166
  189   1HE   LYS  29          2HE       LYS  29   9.017   2.964  15.064
  190   2HE   LYS  29          1HE       LYS  29  10.341   1.849  14.763
  191   1HZ   LYS  29          1HZ       LYS  29   8.176   2.566  12.877
  192   2HZ   LYS  29          2HZ       LYS  29   9.363   1.388  12.583
  193   3HZ   LYS  29          3HZ       LYS  29   9.810   3.015  12.774
  194    H    ASP  30           H        ASP  30  11.314  -2.624  13.815
  195    HA   ASP  30           HA       ASP  30  11.936  -5.034  15.254
  196   1HB   ASP  30          2HB       ASP  30  10.361  -4.940  13.455
  197   2HB   ASP  30          1HB       ASP  30  11.740  -4.541  12.435
  198    H    MET  31           H        MET  31  13.695  -2.528  14.472
  199    HA   MET  31           HA       MET  31  15.890  -1.973  13.999
  200   1HB   MET  31          2HB       MET  31  16.503  -4.763  15.059
  201   2HB   MET  31          1HB       MET  31  17.533  -3.345  15.081
  202   1HG   MET  31          2HG       MET  31  16.567  -2.471  16.915
  203   2HG   MET  31          1HG       MET  31  14.955  -2.939  16.468
  204   1HE   MET  31          1HE       MET  31  13.686  -4.715  17.188
  205   2HE   MET  31          2HE       MET  31  14.159  -6.046  18.214
  206   3HE   MET  31          3HE       MET  31  14.634  -6.060  16.516
  207    H    SER  32           H        SER  32  14.295  -3.770  12.064
  208    HA   SER  32           HA       SER  32  16.277  -5.241  10.616
  209   1HB   SER  32          2HB       SER  32  13.424  -4.428   9.895
  210   2HB   SER  32          1HB       SER  32  14.392  -5.635   9.017
  211    HG   SER  32           HG       SER  32  13.551  -5.653  11.713
  212    H    ASP  33           H        ASP  33  15.703  -1.981  10.751
  213    HA   ASP  33           HA       ASP  33  16.318  -1.401   7.964
  214   1HB   ASP  33          2HB       ASP  33  15.884   0.775   8.568
  215   2HB   ASP  33          1HB       ASP  33  14.738  -0.171   9.453
  216    H    GLU  34           H        GLU  34  17.848  -2.270  10.795
  217    HA   GLU  34           HA       GLU  34  20.430  -1.125  10.035
  218   1HB   GLU  34          2HB       GLU  34  18.934  -1.592  12.578
  219   2HB   GLU  34          1HB       GLU  34  20.664  -1.555  12.615
  220   1HG   GLU  34          2HG       GLU  34  18.696   0.651  11.879
  221   2HG   GLU  34          1HG       GLU  34  19.911   0.735  13.117
  222    H    VAL  35           H        VAL  35  19.072  -3.516   9.187
  223    HA   VAL  35           HA       VAL  35  21.024  -5.490   9.924
  224    HB   VAL  35           HB       VAL  35  18.483  -5.454  10.632
  225   1HG1  VAL  35          1HG1      VAL  35  17.232  -7.140   9.473
  226   2HG1  VAL  35          2HG1      VAL  35  18.632  -7.559   8.483
  227   3HG1  VAL  35          3HG1      VAL  35  17.829  -6.005   8.263
  228   1HG2  VAL  35          1HG2      VAL  35  20.295  -7.875  10.340
  229   2HG2  VAL  35          2HG2      VAL  35  18.846  -7.860  11.332
  230   3HG2  VAL  35          3HG2      VAL  35  20.190  -6.807  11.730
  231    H    GLY  36           H        GLY  36  21.013  -7.209   8.451
  232   1HA   GLY  36          2HA       GLY  36  21.440  -8.188   6.417
  233   2HA   GLY  36          1HA       GLY  36  20.219  -7.089   5.776
  234    H    CYS  37           H        CYS  37  22.320  -5.242   7.224
  235    HA   CYS  37           HA       CYS  37  23.460  -4.049   4.974
  236   1HB   CYS  37          2HB       CYS  37  22.960  -2.997   7.070
  237   2HB   CYS  37          1HB       CYS  37  24.407  -3.772   7.670
  238    H    VAL  38           H        VAL  38  24.980  -5.731   7.639
  239    HA   VAL  38           HA       VAL  38  27.140  -6.791   5.917
  240    HB   VAL  38           HB       VAL  38  27.427  -5.860   8.838
  241   1HG1  VAL  38          1HG1      VAL  38  29.902  -5.912   8.280
  242   2HG1  VAL  38          2HG1      VAL  38  29.501  -6.568   6.701
  243   3HG1  VAL  38          3HG1      VAL  38  29.161  -7.493   8.153
  244   1HG2  VAL  38          1HG2      VAL  38  28.715  -3.881   7.871
  245   2HG2  VAL  38          2HG2      VAL  38  26.989  -3.837   7.572
  246   3HG2  VAL  38          3HG2      VAL  38  28.089  -4.323   6.291
  247    H    ASN  39           H        ASN  39  24.861  -7.925   6.224
  248    HA   ASN  39           HA       ASN  39  25.417 -10.365   7.815
  249   1HB   ASN  39          2HB       ASN  39  22.564  -9.394   7.960
  250   2HB   ASN  39          1HB       ASN  39  23.500 -10.267   9.155
  251   1HD2  ASN  39          1HD2      ASN  39  24.734  -9.039  10.692
  252   2HD2  ASN  39          2HD2      ASN  39  24.585  -7.354  10.833
  Start of MODEL   10
    1    H    ALA   1           H        ALA   1   0.046   0.680  -0.472
    2    HA   ALA   1           HA       ALA   1   1.820   0.969  -2.438
    3   1HB   ALA   1          1HB       ALA   1   0.652   2.909  -1.437
    4   2HB   ALA   1          2HB       ALA   1   2.358   3.278  -1.629
    5   3HB   ALA   1          3HB       ALA   1   1.722   2.859  -0.045
    6    H    THR   2           H        THR   2   3.889   0.616  -2.859
    7    HA   THR   2           HA       THR   2   5.717  -0.266  -0.698
    8    HB   THR   2           HB       THR   2   6.664  -0.187  -3.565
    9    HG1  THR   2           HG1      THR   2   4.466  -0.786  -3.720
   10   1HG2  THR   2          1HG2      THR   2   7.306  -2.559  -2.960
   11   2HG2  THR   2          2HG2      THR   2   6.534  -2.365  -1.395
   12   3HG2  THR   2          3HG2      THR   2   7.967  -1.432  -1.792
   13    H    CYS   3           H        CYS   3   8.056   0.343  -1.157
   14    HA   CYS   3           HA       CYS   3   8.369   3.170  -0.833
   15   1HB   CYS   3          2HB       CYS   3  10.411   1.196  -0.752
   16   2HB   CYS   3          1HB       CYS   3  10.161   2.580   0.258
   17    H    ARG   4           H        ARG   4  10.493   4.007  -1.672
   18    HA   ARG   4           HA       ARG   4  10.440   4.162  -4.462
   19   1HB   ARG   4          2HB       ARG   4  11.866   5.181  -2.206
   20   2HB   ARG   4          1HB       ARG   4  12.577   5.473  -3.742
   21   1HG   ARG   4          2HG       ARG   4  10.086   6.296  -4.340
   22   2HG   ARG   4          1HG       ARG   4   9.911   6.358  -2.598
   23   1HD   ARG   4          2HD       ARG   4  11.739   8.020  -4.364
   24   2HD   ARG   4          1HD       ARG   4  10.588   8.586  -3.164
   25    HE   ARG   4           HE       ARG   4  13.332   7.816  -2.679
   26   1HH1  ARG   4          2HH1      ARG   4  10.161   7.884  -1.283
   27   2HH1  ARG   4          1HH1      ARG   4  10.759   7.906   0.342
   28   1HH2  ARG   4          1HH2      ARG   4  14.103   7.849  -0.643
   29   2HH2  ARG   4          2HH2      ARG   4  13.024   7.886   0.714
   30    HA   PRO   5           HA       PRO   5  13.470   1.187  -5.609
   31   1HB   PRO   5          2HB       PRO   5  14.960   2.643  -7.558
   32   2HB   PRO   5          1HB       PRO   5  13.530   1.671  -7.865
   33   1HG   PRO   5          2HG       PRO   5  13.770   4.603  -7.791
   34   2HG   PRO   5          1HG       PRO   5  12.440   3.629  -8.400
   35   1HD   PRO   5          2HD       PRO   5  12.515   5.102  -5.929
   36   2HD   PRO   5          1HD       PRO   5  11.229   4.014  -6.482
   37    H    ASP   6           H        ASP   6  14.412   4.154  -4.596
   38    HA   ASP   6           HA       ASP   6  17.194   3.588  -4.080
   39   1HB   ASP   6          2HB       ASP   6  17.205   5.903  -3.234
   40   2HB   ASP   6          1HB       ASP   6  16.671   5.753  -4.899
   41    H    GLU   7           H        GLU   7  14.206   3.274  -2.471
   42    HA   GLU   7           HA       GLU   7  15.283   3.492   0.196
   43   1HB   GLU   7          2HB       GLU   7  12.630   3.429  -1.134
   44   2HB   GLU   7          1HB       GLU   7  12.648   2.497   0.349
   45   1HG   GLU   7          2HG       GLU   7  13.747   4.314   1.437
   46   2HG   GLU   7          1HG       GLU   7  13.611   5.319   0.044
   47    H    PHE   8           H        PHE   8  14.967   2.061   1.694
   48    HA   PHE   8           HA       PHE   8  15.299  -0.757   0.950
   49   1HB   PHE   8          2HB       PHE   8  17.233   0.236   1.958
   50   2HB   PHE   8          1HB       PHE   8  16.337   0.657   3.424
   51    HD1  PHE   8           HD1      PHE   8  17.543  -2.224   1.372
   52    HD2  PHE   8           HD2      PHE   8  15.794  -1.015   5.068
   53    HE1  PHE   8           HE1      PHE   8  17.860  -4.486   2.271
   54    HE2  PHE   8           HE2      PHE   8  16.110  -3.273   5.953
   55    HZ   PHE   8           HZ       PHE   8  17.144  -5.016   4.563
   56    H    GLN   9           H        GLN   9  14.075  -2.227   1.803
   57    HA   GLN   9           HA       GLN   9  11.995  -1.431   3.763
   58   1HB   GLN   9          2HB       GLN   9  11.441  -1.962   1.582
   59   2HB   GLN   9          1HB       GLN   9  12.034  -3.598   1.730
   60   1HG   GLN   9          2HG       GLN   9  10.335  -4.033   3.549
   61   2HG   GLN   9          1HG       GLN   9   9.812  -2.356   3.487
   62   1HE2  GLN   9          1HE2      GLN   9   9.015  -1.650   1.194
   63   2HE2  GLN   9          2HE2      GLN   9   8.076  -2.782   0.346
   64    H    CYS  10           H        CYS  10  11.817  -2.341   5.530
   65    HA   CYS  10           HA       CYS  10  13.676  -4.195   6.578
   66   1HB   CYS  10          2HB       CYS  10  11.352  -2.699   7.541
   67   2HB   CYS  10          1HB       CYS  10  12.166  -3.780   8.541
   68    H    SER  11           H        SER  11  12.475  -5.610   8.273
   69    HA   SER  11           HA       SER  11  11.104  -7.672   6.771
   70   1HB   SER  11          2HB       SER  11  13.015  -8.207   8.376
   71   2HB   SER  11          1HB       SER  11  11.955  -7.713   9.706
   72    HG   SER  11           HG       SER  11  10.446  -9.246   8.978
   73    H    ASP  12           H        ASP  12  10.487  -5.199   9.211
   74    HA   ASP  12           HA       ASP  12   7.904  -6.193   9.889
   75   1HB   ASP  12          2HB       ASP  12   8.064  -4.520  11.536
   76   2HB   ASP  12          1HB       ASP  12   9.596  -5.340  11.420
   77    H    GLY  13           H        GLY  13   8.844  -5.101   7.191
   78   1HA   GLY  13          2HA       GLY  13   7.919  -4.083   5.389
   79   2HA   GLY  13          1HA       GLY  13   6.470  -3.907   6.343
   80    H    ASN  14           H        ASN  14   8.837  -2.367   8.069
   81    HA   ASN  14           HA       ASN  14   7.916   0.236   7.231
   82   1HB   ASN  14          2HB       ASN  14   8.188  -0.267   9.589
   83   2HB   ASN  14          1HB       ASN  14   9.892  -0.605   9.352
   84   1HD2  ASN  14          1HD2      ASN  14  11.182   1.359   8.383
   85   2HD2  ASN  14          2HD2      ASN  14  10.750   2.895   8.959
   86    H    CYS  15           H        CYS  15   8.960   1.451   5.690
   87    HA   CYS  15           HA       CYS  15  11.632   0.561   4.791
   88   1HB   CYS  15          2HB       CYS  15   9.503   2.022   3.616
   89   2HB   CYS  15          1HB       CYS  15  11.125   2.434   3.077
   90    H    ILE  16           H        ILE  16  13.335   1.974   4.444
   91    HA   ILE  16           HA       ILE  16  13.376   4.633   5.661
   92    HB   ILE  16           HB       ILE  16  15.586   4.106   6.546
   93   1HG1  ILE  16          2HG1      ILE  16  15.126   1.143   5.796
   94   2HG1  ILE  16          1HG1      ILE  16  15.965   2.222   4.726
   95   1HG2  ILE  16          1HG2      ILE  16  13.569   2.039   7.470
   96   2HG2  ILE  16          2HG2      ILE  16  13.675   3.711   8.034
   97   3HG2  ILE  16          3HG2      ILE  16  14.992   2.588   8.331
   98   1HD1  ILE  16          1HD1      ILE  16  17.242   0.838   6.568
   99   2HD1  ILE  16          2HD1      ILE  16  16.952   2.318   7.486
  100   3HD1  ILE  16          3HD1      ILE  16  17.766   2.401   5.934
  101    H    HIS  17           H        HIS  17  15.241   5.844   4.708
  102    HA   HIS  17           HA       HIS  17  15.378   5.404   1.862
  103   1HB   HIS  17          2HB       HIS  17  15.537   7.591   2.903
  104   2HB   HIS  17          1HB       HIS  17  17.106   7.052   3.494
  105    HD1  HIS  17           HD1      HIS  17  18.794   8.113   1.893
  106    HD2  HIS  17           HD2      HIS  17  15.555   6.709  -0.133
  107    HE1  HIS  17           HE1      HIS  17  19.284   8.445  -0.502
  108    H    GLY  18           H        GLY  18  17.350   4.759   0.685
  109   1HA   GLY  18          2HA       GLY  18  18.690   2.621   1.736
  110   2HA   GLY  18          1HA       GLY  18  19.264   3.546   0.351
  111    H    SER  19           H        SER  19  19.241   5.978   2.180
  112    HA   SER  19           HA       SER  19  21.949   5.738   3.103
  113   1HB   SER  19          2HB       SER  19  20.184   8.222   3.119
  114   2HB   SER  19          1HB       SER  19  21.951   8.171   3.190
  115    HG   SER  19           HG       SER  19  21.737   6.896   1.167
  116    H    ARG  20           H        ARG  20  18.878   5.448   4.479
  117    HA   ARG  20           HA       ARG  20  19.509   6.432   7.095
  118   1HB   ARG  20          2HB       ARG  20  17.275   5.563   5.603
  119   2HB   ARG  20          1HB       ARG  20  17.190   5.273   7.314
  120   1HG   ARG  20          2HG       ARG  20  17.986   7.991   6.171
  121   2HG   ARG  20          1HG       ARG  20  16.293   7.574   6.327
  122   1HD   ARG  20          2HD       ARG  20  18.226   7.408   8.676
  123   2HD   ARG  20          1HD       ARG  20  17.269   8.839   8.338
  124    HE   ARG  20           HE       ARG  20  16.256   6.198   9.207
  125   1HH1  ARG  20          1HH2      ARG  20  15.552   9.448   8.210
  126   2HH1  ARG  20          2HH2      ARG  20  13.937   9.393   8.827
  127   1HH2  ARG  20          2HH1      ARG  20  14.228   6.117   9.978
  128   2HH2  ARG  20          1HH1      ARG  20  13.174   7.486   9.839
  129    H    GLN  21           H        GLN  21  20.113   3.676   5.428
  130    HA   GLN  21           HA       GLN  21  19.808   1.775   7.581
  131   1HB   GLN  21          2HB       GLN  21  19.320   1.259   5.185
  132   2HB   GLN  21          1HB       GLN  21  21.005   1.494   4.833
  133   1HG   GLN  21          2HG       GLN  21  21.579  -0.570   5.571
  134   2HG   GLN  21          1HG       GLN  21  20.746  -0.378   7.094
  135   1HE2  GLN  21          1HE2      GLN  21  20.200  -1.232   3.667
  136   2HE2  GLN  21          2HE2      GLN  21  18.865  -2.235   3.974
  137    H    CYS  22           H        CYS  22  21.492   0.881   8.725
  138    HA   CYS  22           HA       CYS  22  23.602   0.589   9.671
  139   1HB   CYS  22          2HB       CYS  22  24.943   1.691   7.336
  140   2HB   CYS  22          1HB       CYS  22  25.372   0.312   8.293
  141    H    ASP  23           H        ASP  23  22.534   2.560  10.690
  142    HA   ASP  23           HA       ASP  23  24.732   4.411  11.344
  143   1HB   ASP  23          2HB       ASP  23  22.853   6.319  11.211
  144   2HB   ASP  23          1HB       ASP  23  23.763   5.884   9.791
  145    H    ARG  24           H        ARG  24  22.796   2.243  12.172
  146    HA   ARG  24           HA       ARG  24  21.553   1.444  13.833
  147   1HB   ARG  24          2HB       ARG  24  22.744   1.323  15.801
  148   2HB   ARG  24          1HB       ARG  24  23.915   1.414  14.523
  149   1HG   ARG  24          2HG       ARG  24  23.345   4.123  15.574
  150   2HG   ARG  24          1HG       ARG  24  23.764   3.040  16.875
  151   1HD   ARG  24          2HD       ARG  24  25.923   3.582  16.317
  152   2HD   ARG  24          1HD       ARG  24  25.725   2.364  15.065
  153    HE   ARG  24           HE       ARG  24  24.843   5.083  14.351
  154   1HH1  ARG  24          2HH1      ARG  24  27.384   2.715  14.282
  155   2HH1  ARG  24          1HH1      ARG  24  28.199   3.478  12.961
  156   1HH2  ARG  24          1HH2      ARG  24  25.865   6.054  12.690
  157   2HH2  ARG  24          2HH2      ARG  24  27.333   5.395  12.050
  158    H    GLU  25           H        GLU  25  20.603   3.823  12.947
  159    HA   GLU  25           HA       GLU  25  19.453   5.134  15.382
  160   1HB   GLU  25          2HB       GLU  25  19.517   5.833  12.437
  161   2HB   GLU  25          1HB       GLU  25  18.404   6.669  13.496
  162   1HG   GLU  25          2HG       GLU  25  20.011   7.969  14.435
  163   2HG   GLU  25          1HG       GLU  25  21.108   6.623  14.655
  164    H    TYR  26           H        TYR  26  18.886   2.722  14.919
  165    HA   TYR  26           HA       TYR  26  17.141   1.172  14.047
  166   1HB   TYR  26          2HB       TYR  26  17.585   0.820  16.320
  167   2HB   TYR  26          1HB       TYR  26  16.976   2.381  16.810
  168    HD1  TYR  26           HD1      TYR  26  14.722   2.620  17.582
  169    HD2  TYR  26           HD2      TYR  26  15.926  -1.011  15.732
  170    HE1  TYR  26           HE1      TYR  26  12.641   1.563  18.311
  171    HE2  TYR  26           HE2      TYR  26  13.839  -2.076  16.462
  172    HH   TYR  26           HH       TYR  26  11.202  -0.328  17.635
  173    H    ASP  27           H        ASP  27  16.147   2.460  12.236
  174    HA   ASP  27           HA       ASP  27  14.096   4.231  12.677
  175   1HB   ASP  27          2HB       ASP  27  14.888   2.633  10.285
  176   2HB   ASP  27          1HB       ASP  27  13.860   4.033  10.242
  177    H    CYS  28           H        CYS  28  14.220   1.003  11.818
  178    HA   CYS  28           HA       CYS  28  11.303   0.630  11.625
  179   1HB   CYS  28          2HB       CYS  28  13.735  -1.054  11.115
  180   2HB   CYS  28          1HB       CYS  28  12.179  -1.787  11.211
  181    H    LYS  29           H        LYS  29  10.095  -0.522  13.036
  182    HA   LYS  29           HA       LYS  29  10.849  -0.561  15.720
  183   1HB   LYS  29          2HB       LYS  29   8.544  -1.955  14.308
  184   2HB   LYS  29          1HB       LYS  29   8.640  -1.771  16.048
  185   1HG   LYS  29          2HG       LYS  29   8.576   0.536  14.043
  186   2HG   LYS  29          1HG       LYS  29   7.213  -0.023  14.980
  187   1HD   LYS  29          2HD       LYS  29   7.831   1.513  16.543
  188   2HD   LYS  29          1HD       LYS  29   9.090   0.385  16.992
  189   1HE   LYS  29          2HE       LYS  29  10.202   2.482  16.614
  190   2HE   LYS  29          1HE       LYS  29  10.558   1.539  15.177
  191   1HZ   LYS  29          1HZ       LYS  29   8.319   3.460  15.385
  192   2HZ   LYS  29          2HZ       LYS  29   8.851   2.652  13.989
  193   3HZ   LYS  29          3HZ       LYS  29   9.840   3.823  14.721
  194    H    ASP  30           H        ASP  30  11.481  -2.731  13.338
  195    HA   ASP  30           HA       ASP  30  11.939  -4.988  15.109
  196   1HB   ASP  30          2HB       ASP  30  10.477  -5.435  13.389
  197   2HB   ASP  30          1HB       ASP  30  11.635  -4.752  12.256
  198    H    MET  31           H        MET  31  13.548  -2.489  14.024
  199    HA   MET  31           HA       MET  31  15.771  -1.859  13.726
  200   1HB   MET  31          2HB       MET  31  15.876  -3.398  15.867
  201   2HB   MET  31          1HB       MET  31  16.600  -4.588  14.808
  202   1HG   MET  31          2HG       MET  31  17.813  -1.904  14.552
  203   2HG   MET  31          1HG       MET  31  17.951  -2.579  16.146
  204   1HE   MET  31          1HE       MET  31  19.882  -3.959  16.893
  205   2HE   MET  31          2HE       MET  31  20.401  -5.349  15.953
  206   3HE   MET  31          3HE       MET  31  18.715  -5.213  16.405
  207    H    SER  32           H        SER  32  14.300  -3.893  11.831
  208    HA   SER  32           HA       SER  32  16.385  -5.282  10.466
  209   1HB   SER  32          2HB       SER  32  13.458  -4.932  10.184
  210   2HB   SER  32          1HB       SER  32  14.264  -4.974   8.610
  211    HG   SER  32           HG       SER  32  14.648  -6.982   8.923
  212    H    ASP  33           H        ASP  33  15.831  -2.042  10.636
  213    HA   ASP  33           HA       ASP  33  16.527  -1.347   7.898
  214   1HB   ASP  33          2HB       ASP  33  16.088   0.807   8.592
  215   2HB   ASP  33          1HB       ASP  33  14.912  -0.177   9.394
  216    H    GLU  34           H        GLU  34  18.068  -2.408  10.644
  217    HA   GLU  34           HA       GLU  34  20.615  -1.130   9.994
  218   1HB   GLU  34          2HB       GLU  34  19.136  -1.864  12.487
  219   2HB   GLU  34          1HB       GLU  34  20.859  -1.721  12.524
  220   1HG   GLU  34          2HG       GLU  34  18.771   0.406  11.845
  221   2HG   GLU  34          1HG       GLU  34  19.858   0.485  13.190
  222    H    VAL  35           H        VAL  35  19.372  -3.472   8.887
  223    HA   VAL  35           HA       VAL  35  21.221  -5.531   9.664
  224    HB   VAL  35           HB       VAL  35  18.640  -5.577   9.943
  225   1HG1  VAL  35          1HG1      VAL  35  17.501  -6.754   8.228
  226   2HG1  VAL  35          2HG1      VAL  35  19.010  -7.071   7.364
  227   3HG1  VAL  35          3HG1      VAL  35  18.366  -5.431   7.438
  228   1HG2  VAL  35          1HG2      VAL  35  20.204  -7.288  10.805
  229   2HG2  VAL  35          2HG2      VAL  35  20.314  -8.012   9.209
  230   3HG2  VAL  35          3HG2      VAL  35  18.798  -8.057  10.093
  231    H    GLY  36           H        GLY  36  21.567  -7.035   8.076
  232   1HA   GLY  36          2HA       GLY  36  22.662  -7.737   6.143
  233   2HA   GLY  36          1HA       GLY  36  21.336  -6.895   5.343
  234    H    CYS  37           H        CYS  37  23.227  -5.100   7.344
  235    HA   CYS  37           HA       CYS  37  24.095  -3.216   5.539
  236   1HB   CYS  37          2HB       CYS  37  24.174  -3.813   8.276
  237   2HB   CYS  37          1HB       CYS  37  25.353  -2.688   7.713
  238    H    VAL  38           H        VAL  38  26.187  -4.923   7.789
  239    HA   VAL  38           HA       VAL  38  28.228  -5.390   5.694
  240    HB   VAL  38           HB       VAL  38  28.766  -4.429   8.554
  241   1HG1  VAL  38          1HG1      VAL  38  30.581  -4.683   6.099
  242   2HG1  VAL  38          2HG1      VAL  38  30.685  -5.661   7.553
  243   3HG1  VAL  38          3HG1      VAL  38  31.075  -3.957   7.620
  244   1HG2  VAL  38          1HG2      VAL  38  27.715  -2.562   7.425
  245   2HG2  VAL  38          2HG2      VAL  38  28.643  -2.836   5.958
  246   3HG2  VAL  38          3HG2      VAL  38  29.436  -2.236   7.405
  247    H    ASN  39           H        ASN  39  26.599  -7.275   6.083
  248    HA   ASN  39           HA       ASN  39  28.105  -9.394   7.398
  249   1HB   ASN  39          2HB       ASN  39  26.496  -8.200   9.173
  250   2HB   ASN  39          1HB       ASN  39  25.236  -9.116   8.364
  251   1HD2  ASN  39          1HD2      ASN  39  28.192  -9.394  10.291
  252   2HD2  ASN  39          2HD2      ASN  39  27.986 -11.031  10.696
  Start of MODEL   11
    1    H    ALA   1           H        ALA   1   1.484   2.138  -2.677
    2    HA   ALA   1           HA       ALA   1   1.628   2.398   0.252
    3   1HB   ALA   1          1HB       ALA   1   1.144  -0.047  -1.503
    4   2HB   ALA   1          2HB       ALA   1  -0.108   0.946  -0.773
    5   3HB   ALA   1          3HB       ALA   1   0.965  -0.001   0.245
    6    H    THR   2           H        THR   2   3.606   1.352  -2.379
    7    HA   THR   2           HA       THR   2   5.569  -0.029  -0.642
    8    HB   THR   2           HB       THR   2   6.213   0.504  -3.540
    9    HG1  THR   2           HG1      THR   2   3.961   0.114  -3.536
   10   1HG2  THR   2          1HG2      THR   2   6.678  -1.980  -3.443
   11   2HG2  THR   2          2HG2      THR   2   6.099  -2.020  -1.787
   12   3HG2  THR   2          3HG2      THR   2   7.565  -1.141  -2.187
   13    H    CYS   3           H        CYS   3   7.891   0.481  -1.251
   14    HA   CYS   3           HA       CYS   3   8.496   3.175  -0.501
   15   1HB   CYS   3          2HB       CYS   3  10.358   1.085  -0.983
   16   2HB   CYS   3          1HB       CYS   3  10.313   2.282   0.270
   17    H    ARG   4           H        ARG   4  10.579   4.007  -1.421
   18    HA   ARG   4           HA       ARG   4  10.297   4.513  -4.182
   19   1HB   ARG   4          2HB       ARG   4  11.769   5.382  -1.903
   20   2HB   ARG   4          1HB       ARG   4  12.448   5.817  -3.410
   21   1HG   ARG   4          2HG       ARG   4   9.567   6.306  -3.495
   22   2HG   ARG   4          1HG       ARG   4  10.148   6.877  -1.961
   23   1HD   ARG   4          2HD       ARG   4  11.966   7.829  -4.056
   24   2HD   ARG   4          1HD       ARG   4  10.314   8.181  -4.515
   25    HE   ARG   4           HE       ARG   4  10.216   9.764  -2.812
   26   1HH1  ARG   4          1HH2      ARG   4  12.810   7.546  -2.219
   27   2HH1  ARG   4          2HH2      ARG   4  13.409   8.432  -0.859
   28   1HH2  ARG   4          2HH1      ARG   4  10.958  10.903  -1.093
   29   2HH2  ARG   4          1HH1      ARG   4  12.346  10.360  -0.211
   30    HA   PRO   5           HA       PRO   5  13.393   1.800  -5.738
   31   1HB   PRO   5          2HB       PRO   5  14.871   3.545  -7.461
   32   2HB   PRO   5          1HB       PRO   5  13.482   2.567  -7.914
   33   1HG   PRO   5          2HG       PRO   5  13.605   5.466  -7.495
   34   2HG   PRO   5          1HG       PRO   5  12.297   4.519  -8.188
   35   1HD   PRO   5          2HD       PRO   5  12.390   5.705  -5.562
   36   2HD   PRO   5          1HD       PRO   5  11.105   4.680  -6.225
   37    H    ASP   6           H        ASP   6  14.342   4.669  -4.441
   38    HA   ASP   6           HA       ASP   6  17.102   4.003  -3.934
   39   1HB   ASP   6          2HB       ASP   6  17.217   6.249  -2.990
   40   2HB   ASP   6          1HB       ASP   6  16.549   6.249  -4.610
   41    H    GLU   7           H        GLU   7  14.140   3.498  -2.408
   42    HA   GLU   7           HA       GLU   7  15.147   3.642   0.296
   43   1HB   GLU   7          2HB       GLU   7  12.517   3.475  -1.066
   44   2HB   GLU   7          1HB       GLU   7  12.584   2.500   0.390
   45   1HG   GLU   7          2HG       GLU   7  13.602   4.359   1.523
   46   2HG   GLU   7          1HG       GLU   7  13.365   5.391   0.172
   47    H    PHE   8           H        PHE   8  14.976   2.189   1.720
   48    HA   PHE   8           HA       PHE   8  15.451  -0.599   0.921
   49   1HB   PHE   8          2HB       PHE   8  17.330   0.494   1.906
   50   2HB   PHE   8          1HB       PHE   8  16.444   0.850   3.396
   51    HD1  PHE   8           HD1      PHE   8  17.563  -2.010   1.231
   52    HD2  PHE   8           HD2      PHE   8  16.361  -0.774   5.131
   53    HE1  PHE   8           HE1      PHE   8  18.121  -4.229   2.113
   54    HE2  PHE   8           HE2      PHE   8  16.921  -2.994   6.003
   55    HZ   PHE   8           HZ       PHE   8  17.801  -4.727   4.500
   56    H    GLN   9           H        GLN   9  14.287  -2.139   1.714
   57    HA   GLN   9           HA       GLN   9  12.179  -1.494   3.694
   58   1HB   GLN   9          2HB       GLN   9  11.644  -2.121   1.510
   59   2HB   GLN   9          1HB       GLN   9  12.383  -3.689   1.705
   60   1HG   GLN   9          2HG       GLN   9  10.501  -4.510   2.865
   61   2HG   GLN   9          1HG       GLN   9  10.491  -3.122   3.932
   62   1HE2  GLN   9          1HE2      GLN   9   8.728  -1.800   3.748
   63   2HE2  GLN   9          2HE2      GLN   9   7.721  -1.689   2.386
   64    H    CYS  10           H        CYS  10  11.910  -2.489   5.429
   65    HA   CYS  10           HA       CYS  10  13.879  -4.192   6.561
   66   1HB   CYS  10          2HB       CYS  10  11.504  -2.725   7.443
   67   2HB   CYS  10          1HB       CYS  10  12.270  -3.808   8.477
   68    H    SER  11           H        SER  11  12.731  -5.622   8.252
   69    HA   SER  11           HA       SER  11  11.439  -7.765   6.802
   70   1HB   SER  11          2HB       SER  11  13.387  -8.187   8.417
   71   2HB   SER  11          1HB       SER  11  12.304  -7.714   9.736
   72    HG   SER  11           HG       SER  11  10.863  -9.320   9.045
   73    H    ASP  12           H        ASP  12  10.763  -5.239   9.139
   74    HA   ASP  12           HA       ASP  12   8.245  -6.299   9.948
   75   1HB   ASP  12          2HB       ASP  12   8.394  -4.726  11.568
   76   2HB   ASP  12          1HB       ASP  12  10.040  -5.141  11.244
   77    H    GLY  13           H        GLY  13   9.097  -5.280   7.146
   78   1HA   GLY  13          2HA       GLY  13   8.113  -4.381   5.314
   79   2HA   GLY  13          1HA       GLY  13   6.643  -4.312   6.253
   80    H    ASN  14           H        ASN  14   8.913  -2.529   7.926
   81    HA   ASN  14           HA       ASN  14   7.785  -0.039   6.956
   82   1HB   ASN  14          2HB       ASN  14   7.908  -0.389   9.351
   83   2HB   ASN  14          1HB       ASN  14   9.648  -0.643   9.249
   84   1HD2  ASN  14          1HD2      ASN  14  11.009   1.244   8.823
   85   2HD2  ASN  14          2HD2      ASN  14  10.411   2.820   9.015
   86    H    CYS  15           H        CYS  15   8.829   1.083   5.352
   87    HA   CYS  15           HA       CYS  15  11.610   0.393   4.705
   88   1HB   CYS  15          2HB       CYS  15   9.504   1.784   3.401
   89   2HB   CYS  15          1HB       CYS  15  11.145   2.249   2.974
   90    H    ILE  16           H        ILE  16  13.253   1.897   4.455
   91    HA   ILE  16           HA       ILE  16  13.124   4.507   5.771
   92    HB   ILE  16           HB       ILE  16  15.335   4.059   6.679
   93   1HG1  ILE  16          2HG1      ILE  16  15.099   1.116   5.738
   94   2HG1  ILE  16          1HG1      ILE  16  15.862   2.316   4.748
   95   1HG2  ILE  16          1HG2      ILE  16  14.762   2.247   8.336
   96   2HG2  ILE  16          2HG2      ILE  16  13.340   1.863   7.393
   97   3HG2  ILE  16          3HG2      ILE  16  13.489   3.443   8.159
   98   1HD1  ILE  16          1HD1      ILE  16  17.231   0.919   6.495
   99   2HD1  ILE  16          2HD1      ILE  16  16.839   2.321   7.498
  100   3HD1  ILE  16          3HD1      ILE  16  17.635   2.541   5.945
  101    H    HIS  17           H        HIS  17  14.922   5.867   4.884
  102    HA   HIS  17           HA       HIS  17  15.082   5.580   2.019
  103   1HB   HIS  17          2HB       HIS  17  15.118   7.677   3.314
  104   2HB   HIS  17          1HB       HIS  17  16.787   7.232   3.649
  105    HD1  HIS  17           HD1      HIS  17  18.334   7.168   1.465
  106    HD2  HIS  17           HD2      HIS  17  14.589   8.615   0.739
  107    HE1  HIS  17           HE1      HIS  17  18.414   8.201  -0.769
  108    H    GLY  18           H        GLY  18  17.018   5.144   0.797
  109   1HA   GLY  18          2HA       GLY  18  18.520   3.011   1.581
  110   2HA   GLY  18          1HA       GLY  18  18.991   4.108   0.293
  111    H    SER  19           H        SER  19  18.873   6.287   2.439
  112    HA   SER  19           HA       SER  19  21.641   6.186   3.167
  113   1HB   SER  19          2HB       SER  19  20.511   8.214   2.094
  114   2HB   SER  19          1HB       SER  19  19.706   8.484   3.648
  115    HG   SER  19           HG       SER  19  21.731   8.531   4.631
  116    H    ARG  20           H        ARG  20  18.645   5.597   4.742
  117    HA   ARG  20           HA       ARG  20  19.525   6.245   7.390
  118   1HB   ARG  20          2HB       ARG  20  17.161   5.538   6.015
  119   2HB   ARG  20          1HB       ARG  20  17.231   5.036   7.676
  120   1HG   ARG  20          2HG       ARG  20  17.672   7.883   6.631
  121   2HG   ARG  20          1HG       ARG  20  16.170   7.324   7.335
  122   1HD   ARG  20          2HD       ARG  20  17.915   6.636   9.340
  123   2HD   ARG  20          1HD       ARG  20  18.729   8.052   8.687
  124    HE   ARG  20           HE       ARG  20  16.063   8.815   8.952
  125   1HH1  ARG  20          1HH2      ARG  20  18.563   7.582  11.010
  126   2HH1  ARG  20          2HH2      ARG  20  17.969   8.396  12.414
  127   1HH2  ARG  20          2HH1      ARG  20  15.288   9.852  10.722
  128   2HH2  ARG  20          1HH1      ARG  20  16.085   9.698  12.252
  129    H    GLN  21           H        GLN  21  19.782   3.686   5.328
  130    HA   GLN  21           HA       GLN  21  19.633   1.517   7.202
  131   1HB   GLN  21          2HB       GLN  21  19.126   1.347   4.741
  132   2HB   GLN  21          1HB       GLN  21  20.811   1.668   4.406
  133   1HG   GLN  21          2HG       GLN  21  21.433  -0.439   5.642
  134   2HG   GLN  21          1HG       GLN  21  19.741  -0.706   6.028
  135   1HE2  GLN  21          1HE2      GLN  21  20.562  -2.814   4.835
  136   2HE2  GLN  21          2HE2      GLN  21  20.241  -2.864   3.169
  137    H    CYS  22           H        CYS  22  21.311   0.756   8.426
  138    HA   CYS  22           HA       CYS  22  23.436   0.567   9.397
  139   1HB   CYS  22          2HB       CYS  22  24.623   1.618   6.938
  140   2HB   CYS  22          1HB       CYS  22  25.301   0.487   8.049
  141    H    ASP  23           H        ASP  23  22.293   2.500  10.352
  142    HA   ASP  23           HA       ASP  23  24.301   4.661  10.657
  143   1HB   ASP  23          2HB       ASP  23  22.758   6.417  10.180
  144   2HB   ASP  23          1HB       ASP  23  22.393   5.248   8.942
  145    H    ARG  24           H        ARG  24  22.478   2.333  11.784
  146    HA   ARG  24           HA       ARG  24  21.587   1.527  13.624
  147   1HB   ARG  24          2HB       ARG  24  23.048   1.532  15.431
  148   2HB   ARG  24          1HB       ARG  24  24.012   1.547  13.983
  149   1HG   ARG  24          2HG       ARG  24  24.787   3.757  14.309
  150   2HG   ARG  24          1HG       ARG  24  23.448   4.206  15.349
  151   1HD   ARG  24          2HD       ARG  24  24.337   2.714  17.133
  152   2HD   ARG  24          1HD       ARG  24  25.703   2.302  16.093
  153    HE   ARG  24           HE       ARG  24  25.596   5.119  16.237
  154   1HH1  ARG  24          1HH2      ARG  24  26.088   2.399  18.324
  155   2HH1  ARG  24          2HH2      ARG  24  27.110   3.273  19.415
  156   1HH2  ARG  24          2HH1      ARG  24  26.890   6.248  17.604
  157   2HH2  ARG  24          1HH1      ARG  24  27.571   5.485  19.002
  158    H    GLU  25           H        GLU  25  20.571   4.031  12.888
  159    HA   GLU  25           HA       GLU  25  19.613   5.174  15.496
  160   1HB   GLU  25          2HB       GLU  25  19.412   6.118  12.624
  161   2HB   GLU  25          1HB       GLU  25  18.569   6.924  13.932
  162   1HG   GLU  25          2HG       GLU  25  20.471   7.879  14.824
  163   2HG   GLU  25          1HG       GLU  25  21.509   6.543  14.366
  164    H    TYR  26           H        TYR  26  18.967   2.840  14.986
  165    HA   TYR  26           HA       TYR  26  17.266   1.301  14.069
  166   1HB   TYR  26          2HB       TYR  26  17.572   1.029  16.384
  167   2HB   TYR  26          1HB       TYR  26  16.897   2.590  16.774
  168    HD1  TYR  26           HD1      TYR  26  14.513   2.781  17.289
  169    HD2  TYR  26           HD2      TYR  26  16.072  -0.865  15.768
  170    HE1  TYR  26           HE1      TYR  26  12.411   1.656  17.838
  171    HE2  TYR  26           HE2      TYR  26  13.964  -1.998  16.321
  172    HH   TYR  26           HH       TYR  26  11.913  -1.783  17.110
  173    H    ASP  27           H        ASP  27  16.436   2.569  12.173
  174    HA   ASP  27           HA       ASP  27  14.364   4.364  12.504
  175   1HB   ASP  27          2HB       ASP  27  15.478   2.933  10.098
  176   2HB   ASP  27          1HB       ASP  27  14.443   4.328  10.036
  177    H    CYS  28           H        CYS  28  14.487   1.081  12.002
  178    HA   CYS  28           HA       CYS  28  11.590   0.865  11.342
  179   1HB   CYS  28          2HB       CYS  28  13.975  -0.878  11.027
  180   2HB   CYS  28          1HB       CYS  28  12.454  -1.661  11.245
  181    H    LYS  29           H        LYS  29  10.224  -0.462  12.488
  182    HA   LYS  29           HA       LYS  29  10.456  -0.323  15.283
  183   1HB   LYS  29          2HB       LYS  29   8.441  -1.463  13.340
  184   2HB   LYS  29          1HB       LYS  29   8.268  -1.858  15.029
  185   1HG   LYS  29          2HG       LYS  29   6.915   0.122  14.472
  186   2HG   LYS  29          1HG       LYS  29   8.144   0.504  15.653
  187   1HD   LYS  29          2HD       LYS  29   7.995   2.294  13.980
  188   2HD   LYS  29          1HD       LYS  29   9.562   1.535  13.877
  189   1HE   LYS  29          2HE       LYS  29   8.657   1.902  11.627
  190   2HE   LYS  29          1HE       LYS  29   8.711   0.174  11.899
  191   1HZ   LYS  29          1HZ       LYS  29   6.423   0.105  12.320
  192   2HZ   LYS  29          2HZ       LYS  29   6.626   1.038  10.915
  193   3HZ   LYS  29          3HZ       LYS  29   6.297   1.796  12.401
  194    H    ASP  30           H        ASP  30  11.855  -2.460  13.286
  195    HA   ASP  30           HA       ASP  30  12.027  -4.557  15.299
  196   1HB   ASP  30          2HB       ASP  30  10.543  -5.053  13.454
  197   2HB   ASP  30          1HB       ASP  30  12.001  -4.986  12.459
  198    H    MET  31           H        MET  31  13.691  -2.212  14.062
  199    HA   MET  31           HA       MET  31  15.940  -1.706  13.685
  200   1HB   MET  31          2HB       MET  31  16.003  -3.117  15.929
  201   2HB   MET  31          1HB       MET  31  16.673  -4.389  14.935
  202   1HG   MET  31          2HG       MET  31  18.643  -3.261  14.538
  203   2HG   MET  31          1HG       MET  31  17.917  -1.685  14.653
  204   1HE   MET  31          1HE       MET  31  19.841  -4.157  17.924
  205   2HE   MET  31          2HE       MET  31  20.199  -4.198  16.206
  206   3HE   MET  31          3HE       MET  31  18.662  -4.849  16.827
  207    H    SER  32           H        SER  32  14.353  -3.763  11.940
  208    HA   SER  32           HA       SER  32  16.353  -5.360  10.672
  209   1HB   SER  32          2HB       SER  32  13.496  -4.578   9.947
  210   2HB   SER  32          1HB       SER  32  14.455  -5.690   8.944
  211    HG   SER  32           HG       SER  32  13.893  -5.909  11.713
  212    H    ASP  33           H        ASP  33  15.915  -2.108  10.594
  213    HA   ASP  33           HA       ASP  33  16.591  -1.671   7.800
  214   1HB   ASP  33          2HB       ASP  33  16.065   0.490   8.247
  215   2HB   ASP  33          1HB       ASP  33  15.060  -0.373   9.334
  216    H    GLU  34           H        GLU  34  18.059  -2.472  10.685
  217    HA   GLU  34           HA       GLU  34  20.681  -1.402   9.974
  218   1HB   GLU  34          2HB       GLU  34  19.180  -1.999  12.496
  219   2HB   GLU  34          1HB       GLU  34  20.901  -1.839  12.516
  220   1HG   GLU  34          2HG       GLU  34  18.798   0.232  11.754
  221   2HG   GLU  34          1HG       GLU  34  19.918   0.377  13.077
  222    H    VAL  35           H        VAL  35  19.312  -3.769   9.038
  223    HA   VAL  35           HA       VAL  35  21.107  -5.828   9.934
  224    HB   VAL  35           HB       VAL  35  18.522  -5.793  10.184
  225   1HG1  VAL  35          1HG1      VAL  35  18.888  -7.464   7.715
  226   2HG1  VAL  35          2HG1      VAL  35  18.286  -5.808   7.662
  227   3HG1  VAL  35          3HG1      VAL  35  17.375  -7.049   8.531
  228   1HG2  VAL  35          1HG2      VAL  35  18.629  -8.267  10.480
  229   2HG2  VAL  35          2HG2      VAL  35  20.027  -7.472  11.179
  230   3HG2  VAL  35          3HG2      VAL  35  20.168  -8.293   9.632
  231    H    GLY  36           H        GLY  36  21.436  -7.412   8.425
  232   1HA   GLY  36          2HA       GLY  36  22.270  -8.330   6.492
  233   2HA   GLY  36          1HA       GLY  36  21.276  -7.145   5.643
  234    H    CYS  37           H        CYS  37  22.988  -5.401   7.587
  235    HA   CYS  37           HA       CYS  37  24.789  -4.362   5.674
  236   1HB   CYS  37          2HB       CYS  37  23.547  -3.222   7.530
  237   2HB   CYS  37          1HB       CYS  37  25.002  -3.638   8.421
  238    H    VAL  38           H        VAL  38  25.257  -5.655   8.889
  239    HA   VAL  38           HA       VAL  38  27.794  -6.984   8.173
  240    HB   VAL  38           HB       VAL  38  27.275  -5.343  10.718
  241   1HG1  VAL  38          1HG1      VAL  38  29.805  -5.562  10.986
  242   2HG1  VAL  38          2HG1      VAL  38  29.815  -6.642   9.601
  243   3HG1  VAL  38          3HG1      VAL  38  28.981  -7.104  11.075
  244   1HG2  VAL  38          1HG2      VAL  38  28.984  -3.712   9.739
  245   2HG2  VAL  38          2HG2      VAL  38  27.439  -3.731   8.914
  246   3HG2  VAL  38          3HG2      VAL  38  28.819  -4.560   8.210
  247    H    ASN  39           H        ASN  39  25.547  -8.157   8.028
  248    HA   ASN  39           HA       ASN  39  25.257  -9.834  10.491
  249   1HB   ASN  39          2HB       ASN  39  22.972  -9.164   8.586
  250   2HB   ASN  39          1HB       ASN  39  22.860  -9.925  10.165
  251   1HD2  ASN  39          1HD2      ASN  39  22.736  -8.560  11.996
  252   2HD2  ASN  39          2HD2      ASN  39  22.786  -6.865  11.909
  Start of MODEL   12
    1    H    ALA   1           H        ALA   1   3.069  -3.235   0.120
    2    HA   ALA   1           HA       ALA   1   3.173  -1.740  -2.155
    3   1HB   ALA   1          1HB       ALA   1   1.629  -0.102  -1.104
    4   2HB   ALA   1          2HB       ALA   1   3.180   0.651  -1.435
    5   3HB   ALA   1          3HB       ALA   1   2.775   0.155   0.202
    6    H    THR   2           H        THR   2   5.244  -1.409  -2.697
    7    HA   THR   2           HA       THR   2   7.348  -1.916  -0.672
    8    HB   THR   2           HB       THR   2   8.103  -1.387  -3.541
    9    HG1  THR   2           HG1      THR   2   6.120  -2.521  -3.693
   10   1HG2  THR   2          1HG2      THR   2   9.379  -3.520  -3.163
   11   2HG2  THR   2          2HG2      THR   2   8.605  -3.719  -1.600
   12   3HG2  THR   2          3HG2      THR   2   9.729  -2.395  -1.864
   13    H    CYS   3           H        CYS   3   9.415  -0.662  -1.129
   14    HA   CYS   3           HA       CYS   3   8.939   2.117  -0.625
   15   1HB   CYS   3          2HB       CYS   3  11.467   0.840  -0.723
   16   2HB   CYS   3          1HB       CYS   3  10.821   2.008   0.390
   17    H    ARG   4           H        ARG   4  10.701   3.585  -1.442
   18    HA   ARG   4           HA       ARG   4  10.517   3.946  -4.199
   19   1HB   ARG   4          2HB       ARG   4  11.740   5.086  -1.885
   20   2HB   ARG   4          1HB       ARG   4  12.395   5.622  -3.366
   21   1HG   ARG   4          2HG       ARG   4   9.635   5.823  -3.808
   22   2HG   ARG   4          1HG       ARG   4   9.739   6.079  -2.077
   23   1HD   ARG   4          2HD       ARG   4  11.157   7.699  -4.238
   24   2HD   ARG   4          1HD       ARG   4   9.873   8.260  -3.166
   25    HE   ARG   4           HE       ARG   4  12.015   7.322  -1.551
   26   1HH1  ARG   4          1HH2      ARG   4  11.270   9.852  -3.803
   27   2HH1  ARG   4          2HH2      ARG   4  12.377  10.971  -3.084
   28   1HH2  ARG   4          2HH1      ARG   4  13.416   8.716  -0.631
   29   2HH2  ARG   4          1HH1      ARG   4  13.614  10.321  -1.252
   30    HA   PRO   5           HA       PRO   5  14.108   1.927  -5.730
   31   1HB   PRO   5          2HB       PRO   5  15.277   3.979  -7.353
   32   2HB   PRO   5          1HB       PRO   5  14.128   2.759  -7.882
   33   1HG   PRO   5          2HG       PRO   5  13.661   5.610  -7.400
   34   2HG   PRO   5          1HG       PRO   5  12.584   4.444  -8.153
   35   1HD   PRO   5          2HD       PRO   5  12.370   5.561  -5.507
   36   2HD   PRO   5          1HD       PRO   5  11.328   4.320  -6.225
   37    H    ASP   6           H        ASP   6  14.478   4.892  -4.352
   38    HA   ASP   6           HA       ASP   6  17.298   4.730  -3.759
   39   1HB   ASP   6          2HB       ASP   6  16.926   6.928  -2.725
   40   2HB   ASP   6          1HB       ASP   6  16.421   6.862  -4.405
   41    H    GLU   7           H        GLU   7  14.380   3.796  -2.360
   42    HA   GLU   7           HA       GLU   7  15.262   3.945   0.396
   43   1HB   GLU   7          2HB       GLU   7  12.722   3.448  -1.051
   44   2HB   GLU   7          1HB       GLU   7  12.888   2.530   0.429
   45   1HG   GLU   7          2HG       GLU   7  13.609   4.542   1.543
   46   2HG   GLU   7          1HG       GLU   7  13.234   5.489   0.168
   47    H    PHE   8           H        PHE   8  14.862   2.329   1.759
   48    HA   PHE   8           HA       PHE   8  15.662  -0.377   0.941
   49   1HB   PHE   8          2HB       PHE   8  17.403   0.866   2.061
   50   2HB   PHE   8          1HB       PHE   8  16.418   1.056   3.509
   51    HD1  PHE   8           HD1      PHE   8  16.191  -0.713   5.099
   52    HD2  PHE   8           HD2      PHE   8  18.070  -1.522   1.359
   53    HE1  PHE   8           HE1      PHE   8  16.880  -2.915   5.922
   54    HE2  PHE   8           HE2      PHE   8  18.756  -3.726   2.189
   55    HZ   PHE   8           HZ       PHE   8  18.163  -4.428   4.471
   56    H    GLN   9           H        GLN   9  14.618  -2.017   1.893
   57    HA   GLN   9           HA       GLN   9  12.288  -1.335   3.598
   58   1HB   GLN   9          2HB       GLN   9  12.019  -2.138   1.422
   59   2HB   GLN   9          1HB       GLN   9  12.772  -3.660   1.817
   60   1HG   GLN   9          2HG       GLN   9  10.916  -4.217   3.373
   61   2HG   GLN   9          1HG       GLN   9  10.320  -2.565   3.344
   62   1HE2  GLN   9          1HE2      GLN   9  10.593  -5.530   1.394
   63   2HE2  GLN   9          2HE2      GLN   9   9.356  -5.126   0.305
   64    H    CYS  10           H        CYS  10  11.927  -2.223   5.378
   65    HA   CYS  10           HA       CYS  10  13.867  -3.638   6.843
   66   1HB   CYS  10          2HB       CYS  10  11.129  -2.658   7.324
   67   2HB   CYS  10          1HB       CYS  10  12.067  -3.393   8.516
   68    H    SER  11           H        SER  11  12.863  -5.368   8.299
   69    HA   SER  11           HA       SER  11  11.973  -7.545   6.610
   70   1HB   SER  11          2HB       SER  11  13.858  -7.827   8.314
   71   2HB   SER  11          1HB       SER  11  12.644  -7.622   9.585
   72    HG   SER  11           HG       SER  11  11.496  -9.352   8.684
   73    H    ASP  12           H        ASP  12  10.797  -5.307   8.973
   74    HA   ASP  12           HA       ASP  12   8.435  -6.732   9.672
   75   1HB   ASP  12          2HB       ASP  12   8.176  -4.683  10.997
   76   2HB   ASP  12          1HB       ASP  12   9.667  -5.573  11.290
   77    H    GLY  13           H        GLY  13   9.225  -5.479   6.901
   78   1HA   GLY  13          2HA       GLY  13   8.005  -4.914   5.060
   79   2HA   GLY  13          1HA       GLY  13   6.601  -4.827   6.082
   80    H    ASN  14           H        ASN  14   8.576  -2.774   7.634
   81    HA   ASN  14           HA       ASN  14   7.376  -0.439   6.445
   82   1HB   ASN  14          2HB       ASN  14   7.691  -0.670   8.855
   83   2HB   ASN  14          1HB       ASN  14   9.435  -0.712   8.617
   84   1HD2  ASN  14          1HD2      ASN  14  10.530   1.285   8.198
   85   2HD2  ASN  14          2HD2      ASN  14   9.751   2.790   8.285
   86    H    CYS  15           H        CYS  15   8.809   1.451   5.897
   87    HA   CYS  15           HA       CYS  15  11.307   0.574   4.486
   88   1HB   CYS  15          2HB       CYS  15   9.471   2.631   3.578
   89   2HB   CYS  15          1HB       CYS  15  10.885   2.043   2.750
   90    H    ILE  16           H        ILE  16  13.018   1.977   4.419
   91    HA   ILE  16           HA       ILE  16  12.916   4.537   5.832
   92    HB   ILE  16           HB       ILE  16  15.095   4.012   6.753
   93   1HG1  ILE  16          2HG1      ILE  16  14.863   1.111   5.734
   94   2HG1  ILE  16          1HG1      ILE  16  15.593   2.336   4.758
   95   1HG2  ILE  16          1HG2      ILE  16  13.182   3.356   8.136
   96   2HG2  ILE  16          2HG2      ILE  16  14.528   2.247   8.358
   97   3HG2  ILE  16          3HG2      ILE  16  13.161   1.763   7.374
   98   1HD1  ILE  16          1HD1      ILE  16  17.383   2.589   5.901
   99   2HD1  ILE  16          2HD1      ILE  16  17.036   0.953   6.453
  100   3HD1  ILE  16          3HD1      ILE  16  16.639   2.341   7.472
  101    H    HIS  17           H        HIS  17  14.756   5.897   5.040
  102    HA   HIS  17           HA       HIS  17  14.987   5.719   2.171
  103   1HB   HIS  17          2HB       HIS  17  14.961   7.769   3.562
  104   2HB   HIS  17          1HB       HIS  17  16.631   7.324   3.900
  105    HD1  HIS  17           HD1      HIS  17  18.242   7.477   1.810
  106    HD2  HIS  17           HD2      HIS  17  14.425   8.627   0.942
  107    HE1  HIS  17           HE1      HIS  17  18.329   8.532  -0.416
  108    H    GLY  18           H        GLY  18  17.061   5.483   1.005
  109   1HA   GLY  18          2HA       GLY  18  18.521   3.283   1.712
  110   2HA   GLY  18          1HA       GLY  18  19.045   4.470   0.526
  111    H    SER  19           H        SER  19  18.757   6.498   2.769
  112    HA   SER  19           HA       SER  19  21.468   6.418   3.690
  113   1HB   SER  19          2HB       SER  19  20.881   8.815   4.457
  114   2HB   SER  19          1HB       SER  19  20.677   8.524   2.723
  115    HG   SER  19           HG       SER  19  18.568   7.901   4.458
  116    H    ARG  20           H        ARG  20  18.427   5.588   4.947
  117    HA   ARG  20           HA       ARG  20  18.979   6.101   7.711
  118   1HB   ARG  20          2HB       ARG  20  16.823   5.344   6.057
  119   2HB   ARG  20          1HB       ARG  20  16.779   4.723   7.678
  120   1HG   ARG  20          2HG       ARG  20  17.053   7.120   8.488
  121   2HG   ARG  20          1HG       ARG  20  16.995   7.648   6.813
  122   1HD   ARG  20          2HD       ARG  20  14.692   7.020   6.577
  123   2HD   ARG  20          1HD       ARG  20  14.751   5.953   7.971
  124    HE   ARG  20           HE       ARG  20  14.426   7.795   9.382
  125   1HH1  ARG  20          1HH2      ARG  20  15.186   8.839   6.158
  126   2HH1  ARG  20          2HH2      ARG  20  14.790  10.491   6.488
  127   1HH2  ARG  20          2HH1      ARG  20  13.930   9.878   9.811
  128   2HH2  ARG  20          1HH1      ARG  20  14.072  11.091   8.582
  129    H    GLN  21           H        GLN  21  19.663   3.713   5.544
  130    HA   GLN  21           HA       GLN  21  19.587   1.490   7.391
  131   1HB   GLN  21          2HB       GLN  21  18.848   1.404   4.960
  132   2HB   GLN  21          1HB       GLN  21  20.522   1.613   4.543
  133   1HG   GLN  21          2HG       GLN  21  20.778  -0.528   6.253
  134   2HG   GLN  21          1HG       GLN  21  19.101  -0.763   5.801
  135   1HE2  GLN  21          1HE2      GLN  21  21.069  -2.657   5.135
  136   2HE2  GLN  21          2HE2      GLN  21  21.281  -2.673   3.453
  137    H    CYS  22           H        CYS  22  21.337   0.628   8.349
  138    HA   CYS  22           HA       CYS  22  23.512   0.325   9.121
  139   1HB   CYS  22          2HB       CYS  22  24.588   1.342   6.604
  140   2HB   CYS  22          1HB       CYS  22  25.175   0.035   7.567
  141    H    ASP  23           H        ASP  23  22.614   2.351  10.141
  142    HA   ASP  23           HA       ASP  23  24.902   4.183  10.522
  143   1HB   ASP  23          2HB       ASP  23  23.050   6.125  10.515
  144   2HB   ASP  23          1HB       ASP  23  23.769   5.607   9.006
  145    H    ARG  24           H        ARG  24  22.741   2.159  11.552
  146    HA   ARG  24           HA       ARG  24  21.706   1.503  13.393
  147   1HB   ARG  24          2HB       ARG  24  22.989   1.517  15.267
  148   2HB   ARG  24          1HB       ARG  24  24.129   1.551  13.954
  149   1HG   ARG  24          2HG       ARG  24  24.934   3.682  14.462
  150   2HG   ARG  24          1HG       ARG  24  23.434   4.234  15.180
  151   1HD   ARG  24          2HD       ARG  24  23.845   2.849  17.180
  152   2HD   ARG  24          1HD       ARG  24  25.318   2.206  16.450
  153    HE   ARG  24           HE       ARG  24  25.430   5.066  16.462
  154   1HH1  ARG  24          1HH2      ARG  24  25.574   2.317  18.566
  155   2HH1  ARG  24          2HH2      ARG  24  26.576   3.117  19.730
  156   1HH2  ARG  24          2HH1      ARG  24  26.696   6.100  17.922
  157   2HH2  ARG  24          1HH1      ARG  24  27.220   5.292  19.361
  158    H    GLU  25           H        GLU  25  20.825   3.941  12.313
  159    HA   GLU  25           HA       GLU  25  19.810   5.490  14.645
  160   1HB   GLU  25          2HB       GLU  25  19.188   5.910  11.685
  161   2HB   GLU  25          1HB       GLU  25  18.865   7.051  12.976
  162   1HG   GLU  25          2HG       GLU  25  21.266   7.424  13.325
  163   2HG   GLU  25          1HG       GLU  25  21.654   6.191  12.139
  164    H    TYR  26           H        TYR  26  19.164   3.054  14.464
  165    HA   TYR  26           HA       TYR  26  17.324   1.487  13.792
  166   1HB   TYR  26          2HB       TYR  26  17.997   1.263  16.021
  167   2HB   TYR  26          1HB       TYR  26  17.444   2.846  16.482
  168    HD1  TYR  26           HD1      TYR  26  16.277  -0.596  15.690
  169    HD2  TYR  26           HD2      TYR  26  15.314   3.138  17.487
  170    HE1  TYR  26           HE1      TYR  26  14.285  -1.598  16.713
  171    HE2  TYR  26           HE2      TYR  26  13.331   2.140  18.506
  172    HH   TYR  26           HH       TYR  26  12.729  -1.279  18.414
  173    H    ASP  27           H        ASP  27  16.184   2.712  12.010
  174    HA   ASP  27           HA       ASP  27  14.191   4.526  12.624
  175   1HB   ASP  27          2HB       ASP  27  14.980   2.976  10.186
  176   2HB   ASP  27          1HB       ASP  27  13.721   4.175  10.167
  177    H    CYS  28           H        CYS  28  14.226   1.274  11.768
  178    HA   CYS  28           HA       CYS  28  11.292   0.948  11.980
  179   1HB   CYS  28          2HB       CYS  28  13.571  -0.723  10.985
  180   2HB   CYS  28          1HB       CYS  28  12.183  -1.558  11.570
  181    H    LYS  29           H        LYS  29  10.295   0.026  13.666
  182    HA   LYS  29           HA       LYS  29  11.477  -0.027  16.166
  183   1HB   LYS  29          2HB       LYS  29   9.368  -1.019  16.961
  184   2HB   LYS  29          1HB       LYS  29   9.057   0.257  15.809
  185   1HG   LYS  29          2HG       LYS  29   9.189  -2.648  14.890
  186   2HG   LYS  29          1HG       LYS  29   7.746  -2.015  15.629
  187   1HD   LYS  29          2HD       LYS  29   7.112  -1.241  13.611
  188   2HD   LYS  29          1HD       LYS  29   8.363  -0.029  13.735
  189   1HE   LYS  29          2HE       LYS  29   9.831  -2.211  12.853
  190   2HE   LYS  29          1HE       LYS  29   8.269  -2.509  12.106
  191   1HZ   LYS  29          1HZ       LYS  29   8.355  -0.532  10.949
  192   2HZ   LYS  29          2HZ       LYS  29   9.953  -1.101  10.875
  193   3HZ   LYS  29          3HZ       LYS  29   9.543   0.139  11.962
  194    H    ASP  30           H        ASP  30  11.516  -2.345  13.827
  195    HA   ASP  30           HA       ASP  30  12.110  -4.594  15.550
  196   1HB   ASP  30          2HB       ASP  30  10.555  -4.568  13.585
  197   2HB   ASP  30          1HB       ASP  30  12.080  -4.756  12.710
  198    H    MET  31           H        MET  31  13.869  -2.202  14.469
  199    HA   MET  31           HA       MET  31  16.119  -1.771  13.942
  200   1HB   MET  31          2HB       MET  31  16.309  -3.006  16.149
  201   2HB   MET  31          1HB       MET  31  16.508  -4.504  15.274
  202   1HG   MET  31          2HG       MET  31  18.699  -4.151  15.115
  203   2HG   MET  31          1HG       MET  31  18.437  -2.692  14.214
  204   1HE   MET  31          1HE       MET  31  20.394  -1.078  14.893
  205   2HE   MET  31          2HE       MET  31  19.804  -0.011  16.163
  206   3HE   MET  31          3HE       MET  31  18.726  -0.466  14.862
  207    H    SER  32           H        SER  32  14.341  -3.603  12.173
  208    HA   SER  32           HA       SER  32  16.203  -5.274  10.768
  209   1HB   SER  32          2HB       SER  32  13.394  -4.369   9.976
  210   2HB   SER  32          1HB       SER  32  14.306  -5.712   9.258
  211    HG   SER  32           HG       SER  32  13.726  -5.452  12.018
  212    H    ASP  33           H        ASP  33  15.702  -1.987  10.718
  213    HA   ASP  33           HA       ASP  33  16.299  -1.580   7.897
  214   1HB   ASP  33          2HB       ASP  33  15.904   0.623   8.366
  215   2HB   ASP  33          1HB       ASP  33  14.762  -0.236   9.336
  216    H    GLU  34           H        GLU  34  17.832  -2.337  10.752
  217    HA   GLU  34           HA       GLU  34  20.428  -1.282   9.920
  218   1HB   GLU  34          2HB       GLU  34  18.916  -1.535  12.478
  219   2HB   GLU  34          1HB       GLU  34  20.648  -1.577  12.535
  220   1HG   GLU  34          2HG       GLU  34  18.815   0.634  11.495
  221   2HG   GLU  34          1HG       GLU  34  19.886   0.787  12.851
  222    H    VAL  35           H        VAL  35  19.046  -3.689   9.196
  223    HA   VAL  35           HA       VAL  35  20.960  -5.655  10.050
  224    HB   VAL  35           HB       VAL  35  18.411  -5.556  10.709
  225   1HG1  VAL  35          1HG1      VAL  35  18.548  -7.710   8.609
  226   2HG1  VAL  35          2HG1      VAL  35  17.774  -6.146   8.352
  227   3HG1  VAL  35          3HG1      VAL  35  17.145  -7.250   9.577
  228   1HG2  VAL  35          1HG2      VAL  35  20.142  -8.046  10.500
  229   2HG2  VAL  35          2HG2      VAL  35  18.702  -7.926  11.499
  230   3HG2  VAL  35          3HG2      VAL  35  20.096  -6.921  11.850
  231    H    GLY  36           H        GLY  36  20.946  -7.431   8.622
  232   1HA   GLY  36          2HA       GLY  36  21.354  -8.480   6.613
  233   2HA   GLY  36          1HA       GLY  36  20.205  -7.333   5.925
  234    H    CYS  37           H        CYS  37  22.301  -5.511   7.358
  235    HA   CYS  37           HA       CYS  37  23.607  -4.540   5.071
  236   1HB   CYS  37          2HB       CYS  37  22.900  -3.296   7.017
  237   2HB   CYS  37          1HB       CYS  37  24.356  -3.909   7.765
  238    H    VAL  38           H        VAL  38  24.893  -5.834   8.059
  239    HA   VAL  38           HA       VAL  38  27.173  -7.117   6.681
  240    HB   VAL  38           HB       VAL  38  27.269  -5.719   9.414
  241   1HG1  VAL  38          1HG1      VAL  38  29.732  -5.876   9.147
  242   2HG1  VAL  38          2HG1      VAL  38  29.542  -6.564   7.542
  243   3HG1  VAL  38          3HG1      VAL  38  29.047  -7.476   8.958
  244   1HG2  VAL  38          1HG2      VAL  38  28.029  -4.596   6.686
  245   2HG2  VAL  38          2HG2      VAL  38  28.604  -3.900   8.193
  246   3HG2  VAL  38          3HG2      VAL  38  26.888  -3.926   7.842
  247    H    ASN  39           H        ASN  39  24.916  -8.269   7.018
  248    HA   ASN  39           HA       ASN  39  25.259 -10.170   9.315
  249   1HB   ASN  39          2HB       ASN  39  22.593  -9.409   8.050
  250   2HB   ASN  39          1HB       ASN  39  22.843 -10.338   9.517
  251   1HD2  ASN  39          1HD2      ASN  39  23.373  -7.049   8.155
  252   2HD2  ASN  39          2HD2      ASN  39  23.257  -6.252   9.649
  Start of MODEL   13
    1    H    ALA   1           H        ALA   1   2.499  -2.143  -2.440
    2    HA   ALA   1           HA       ALA   1   2.926  -0.426  -0.920
    3   1HB   ALA   1          1HB       ALA   1   1.331  -1.719   0.526
    4   2HB   ALA   1          2HB       ALA   1   2.577  -0.939   1.486
    5   3HB   ALA   1          3HB       ALA   1   2.677  -2.662   1.150
    6    H    THR   2           H        THR   2   5.045  -1.432  -2.231
    7    HA   THR   2           HA       THR   2   7.244  -1.983  -0.327
    8    HB   THR   2           HB       THR   2   7.854  -1.543  -3.239
    9    HG1  THR   2           HG1      THR   2   6.112  -3.519  -2.202
   10   1HG2  THR   2          1HG2      THR   2   8.331  -3.895  -1.317
   11   2HG2  THR   2          2HG2      THR   2   9.500  -2.617  -1.605
   12   3HG2  THR   2          3HG2      THR   2   9.061  -3.711  -2.904
   13    H    CYS   3           H        CYS   3   9.329  -0.833  -0.917
   14    HA   CYS   3           HA       CYS   3   9.011   1.976  -0.454
   15   1HB   CYS   3          2HB       CYS   3  11.468   0.576  -0.653
   16   2HB   CYS   3          1HB       CYS   3  10.939   1.794   0.467
   17    H    ARG   4           H        ARG   4  10.796   3.339  -1.396
   18    HA   ARG   4           HA       ARG   4  10.495   3.615  -4.160
   19   1HB   ARG   4          2HB       ARG   4  11.809   4.823  -1.937
   20   2HB   ARG   4          1HB       ARG   4  12.446   5.267  -3.457
   21   1HG   ARG   4          2HG       ARG   4   9.546   5.378  -3.636
   22   2HG   ARG   4          1HG       ARG   4   9.989   6.063  -2.096
   23   1HD   ARG   4          2HD       ARG   4   9.969   7.905  -3.685
   24   2HD   ARG   4          1HD       ARG   4  11.669   7.551  -3.377
   25    HE   ARG   4           HE       ARG   4  10.501   6.074  -5.629
   26   1HH1  ARG   4          2HH1      ARG   4  12.165   8.940  -4.605
   27   2HH1  ARG   4          1HH1      ARG   4  12.810   9.256  -6.181
   28   1HH2  ARG   4          1HH2      ARG   4  11.306   6.452  -7.614
   29   2HH2  ARG   4          2HH2      ARG   4  12.319   7.828  -7.911
   30    HA   PRO   5           HA       PRO   5  14.014   1.413  -5.676
   31   1HB   PRO   5          2HB       PRO   5  15.168   3.333  -7.464
   32   2HB   PRO   5          1HB       PRO   5  13.975   2.111  -7.878
   33   1HG   PRO   5          2HG       PRO   5  13.587   4.992  -7.589
   34   2HG   PRO   5          1HG       PRO   5  12.440   3.800  -8.181
   35   1HD   PRO   5          2HD       PRO   5  12.476   5.113  -5.604
   36   2HD   PRO   5          1HD       PRO   5  11.284   3.934  -6.187
   37    H    ASP   6           H        ASP   6  14.466   4.430  -4.469
   38    HA   ASP   6           HA       ASP   6  17.304   4.292  -3.959
   39   1HB   ASP   6          2HB       ASP   6  16.935   6.536  -3.000
   40   2HB   ASP   6          1HB       ASP   6  16.458   6.379  -4.682
   41    H    GLU   7           H        GLU   7  14.439   3.412  -2.438
   42    HA   GLU   7           HA       GLU   7  15.378   3.709   0.284
   43   1HB   GLU   7          2HB       GLU   7  12.814   3.156  -1.081
   44   2HB   GLU   7          1HB       GLU   7  13.000   2.299   0.435
   45   1HG   GLU   7          2HG       GLU   7  13.782   4.391   1.426
   46   2HG   GLU   7          1HG       GLU   7  13.330   5.243   0.009
   47    H    PHE   8           H        PHE   8  14.898   2.131   1.733
   48    HA   PHE   8           HA       PHE   8  15.738  -0.601   1.083
   49   1HB   PHE   8          2HB       PHE   8  17.450   0.736   2.145
   50   2HB   PHE   8          1HB       PHE   8  16.449   0.977   3.578
   51    HD1  PHE   8           HD1      PHE   8  18.112  -1.671   1.520
   52    HD2  PHE   8           HD2      PHE   8  16.296  -0.716   5.257
   53    HE1  PHE   8           HE1      PHE   8  18.839  -3.829   2.432
   54    HE2  PHE   8           HE2      PHE   8  17.029  -2.871   6.160
   55    HZ   PHE   8           HZ       PHE   8  18.300  -4.435   4.752
   56    H    GLN   9           H        GLN   9  14.687  -2.180   2.121
   57    HA   GLN   9           HA       GLN   9  12.353  -1.403   3.771
   58   1HB   GLN   9          2HB       GLN   9  12.101  -2.227   1.579
   59   2HB   GLN   9          1HB       GLN   9  12.769  -3.766   2.036
   60   1HG   GLN   9          2HG       GLN   9  10.864  -4.141   3.621
   61   2HG   GLN   9          1HG       GLN   9  10.312  -2.487   3.405
   62   1HE2  GLN   9          1HE2      GLN   9  10.679  -5.602   1.704
   63   2HE2  GLN   9          2HE2      GLN   9   9.469  -5.299   0.551
   64    H    CYS  10           H        CYS  10  11.857  -2.303   5.512
   65    HA   CYS  10           HA       CYS  10  13.681  -3.781   7.072
   66   1HB   CYS  10          2HB       CYS  10  10.990  -2.642   7.465
   67   2HB   CYS  10          1HB       CYS  10  11.885  -3.382   8.682
   68    H    SER  11           H        SER  11  12.486  -5.373   8.546
   69    HA   SER  11           HA       SER  11  11.526  -7.551   6.904
   70   1HB   SER  11          2HB       SER  11  13.311  -7.901   8.663
   71   2HB   SER  11          1HB       SER  11  12.106  -7.535   9.904
   72    HG   SER  11           HG       SER  11  10.852  -9.222   9.129
   73    H    ASP  12           H        ASP  12  10.371  -5.192   9.203
   74    HA   ASP  12           HA       ASP  12   7.905  -6.513   9.732
   75   1HB   ASP  12          2HB       ASP  12   7.675  -4.619  11.208
   76   2HB   ASP  12          1HB       ASP  12   9.242  -5.382  11.392
   77    H    GLY  13           H        GLY  13   8.901  -5.316   7.047
   78   1HA   GLY  13          2HA       GLY  13   7.822  -4.659   5.146
   79   2HA   GLY  13          1HA       GLY  13   6.382  -4.453   6.099
   80    H    ASN  14           H        ASN  14   8.442  -2.575   7.758
   81    HA   ASN  14           HA       ASN  14   7.492  -0.138   6.552
   82   1HB   ASN  14          2HB       ASN  14   7.748  -0.340   8.956
   83   2HB   ASN  14          1HB       ASN  14   9.468  -0.647   8.766
   84   1HD2  ASN  14          1HD2      ASN  14   6.959   1.847   8.235
   85   2HD2  ASN  14          2HD2      ASN  14   8.016   3.171   8.348
   86    H    CYS  15           H        CYS  15   9.111   1.630   6.073
   87    HA   CYS  15           HA       CYS  15  11.580   0.588   4.747
   88   1HB   CYS  15          2HB       CYS  15   9.898   2.618   3.539
   89   2HB   CYS  15          1HB       CYS  15  11.242   1.779   2.825
   90    H    ILE  16           H        ILE  16  13.257   2.030   4.446
   91    HA   ILE  16           HA       ILE  16  13.170   4.714   5.611
   92    HB   ILE  16           HB       ILE  16  15.366   4.292   6.581
   93   1HG1  ILE  16          2HG1      ILE  16  15.030   1.299   5.863
   94   2HG1  ILE  16          1HG1      ILE  16  15.889   2.417   4.848
   95   1HG2  ILE  16          1HG2      ILE  16  14.749   2.741   8.400
   96   2HG2  ILE  16          2HG2      ILE  16  13.340   2.220   7.497
   97   3HG2  ILE  16          3HG2      ILE  16  13.467   3.889   8.059
   98   1HD1  ILE  16          1HD1      ILE  16  17.575   2.727   6.155
   99   2HD1  ILE  16          2HD1      ILE  16  17.170   1.081   6.644
  100   3HD1  ILE  16          3HD1      ILE  16  16.720   2.456   7.660
  101    H    HIS  17           H        HIS  17  15.013   5.993   4.692
  102    HA   HIS  17           HA       HIS  17  15.305   5.468   1.863
  103   1HB   HIS  17          2HB       HIS  17  15.191   7.677   2.938
  104   2HB   HIS  17          1HB       HIS  17  16.853   7.329   3.413
  105    HD1  HIS  17           HD1      HIS  17  18.563   7.189   1.411
  106    HD2  HIS  17           HD2      HIS  17  14.796   8.173   0.181
  107    HE1  HIS  17           HE1      HIS  17  18.768   7.923  -0.935
  108    H    GLY  18           H        GLY  18  17.349   5.054   0.791
  109   1HA   GLY  18          2HA       GLY  18  18.868   3.029   1.787
  110   2HA   GLY  18          1HA       GLY  18  19.387   4.083   0.484
  111    H    SER  19           H        SER  19  19.037   6.347   2.540
  112    HA   SER  19           HA       SER  19  21.752   6.396   3.445
  113   1HB   SER  19          2HB       SER  19  20.641   8.346   2.247
  114   2HB   SER  19          1HB       SER  19  19.659   8.597   3.697
  115    HG   SER  19           HG       SER  19  21.524   9.797   3.883
  116    H    ARG  20           H        ARG  20  18.634   5.846   4.808
  117    HA   ARG  20           HA       ARG  20  19.318   6.492   7.517
  118   1HB   ARG  20          2HB       ARG  20  17.054   5.847   5.958
  119   2HB   ARG  20          1HB       ARG  20  16.980   5.362   7.622
  120   1HG   ARG  20          2HG       ARG  20  16.034   7.640   7.373
  121   2HG   ARG  20          1HG       ARG  20  17.534   7.754   8.268
  122   1HD   ARG  20          2HD       ARG  20  18.721   8.693   6.452
  123   2HD   ARG  20          1HD       ARG  20  17.617   8.059   5.244
  124    HE   ARG  20           HE       ARG  20  17.325  10.550   6.697
  125   1HH1  ARG  20          2HH1      ARG  20  15.617   7.964   5.137
  126   2HH1  ARG  20          1HH1      ARG  20  14.233   8.942   4.789
  127   1HH2  ARG  20          1HH2      ARG  20  15.578  11.797   6.273
  128   2HH2  ARG  20          2HH2      ARG  20  14.206  11.141   5.445
  129    H    GLN  21           H        GLN  21  19.912   3.946   5.557
  130    HA   GLN  21           HA       GLN  21  19.596   1.840   7.517
  131   1HB   GLN  21          2HB       GLN  21  18.958   1.669   5.036
  132   2HB   GLN  21          1HB       GLN  21  20.661   1.745   4.710
  133   1HG   GLN  21          2HG       GLN  21  20.674  -0.312   6.544
  134   2HG   GLN  21          1HG       GLN  21  19.025  -0.475   5.976
  135   1HE2  GLN  21          1HE2      GLN  21  19.879   0.479   3.189
  136   2HE2  GLN  21          2HE2      GLN  21  20.639  -0.876   2.508
  137    H    CYS  22           H        CYS  22  21.302   0.871   8.510
  138    HA   CYS  22           HA       CYS  22  23.484   0.492   9.285
  139   1HB   CYS  22          2HB       CYS  22  24.676   1.632   6.880
  140   2HB   CYS  22          1HB       CYS  22  25.139   0.214   7.745
  141    H    ASP  23           H        ASP  23  22.563   2.488  10.398
  142    HA   ASP  23           HA       ASP  23  24.860   4.282  10.888
  143   1HB   ASP  23          2HB       ASP  23  22.983   6.228  10.949
  144   2HB   ASP  23          1HB       ASP  23  23.784   5.813   9.452
  145    H    ARG  24           H        ARG  24  22.761   2.192  11.815
  146    HA   ARG  24           HA       ARG  24  21.696   1.442  13.599
  147   1HB   ARG  24          2HB       ARG  24  22.938   1.457  15.530
  148   2HB   ARG  24          1HB       ARG  24  24.071   1.421  14.210
  149   1HG   ARG  24          2HG       ARG  24  24.871   3.614  14.610
  150   2HG   ARG  24          1HG       ARG  24  23.450   4.103  15.517
  151   1HD   ARG  24          2HD       ARG  24  24.114   2.799  17.428
  152   2HD   ARG  24          1HD       ARG  24  25.364   1.959  16.508
  153    HE   ARG  24           HE       ARG  24  25.919   4.732  16.362
  154   1HH1  ARG  24          1HH2      ARG  24  25.765   2.174  18.692
  155   2HH1  ARG  24          2HH2      ARG  24  26.964   2.884  19.719
  156   1HH2  ARG  24          2HH1      ARG  24  27.445   5.650  17.651
  157   2HH2  ARG  24          1HH1      ARG  24  27.929   4.877  19.123
  158    H    GLU  25           H        GLU  25  20.740   3.854  12.616
  159    HA   GLU  25           HA       GLU  25  19.705   5.294  15.019
  160   1HB   GLU  25          2HB       GLU  25  19.126   5.849  12.073
  161   2HB   GLU  25          1HB       GLU  25  18.723   6.902  13.414
  162   1HG   GLU  25          2HG       GLU  25  21.128   7.291  13.861
  163   2HG   GLU  25          1HG       GLU  25  21.548   6.175  12.571
  164    H    TYR  26           H        TYR  26  19.111   2.859  14.731
  165    HA   TYR  26           HA       TYR  26  17.288   1.297  13.963
  166   1HB   TYR  26          2HB       TYR  26  17.952   0.921  16.166
  167   2HB   TYR  26          1HB       TYR  26  17.439   2.492  16.728
  168    HD1  TYR  26           HD1      TYR  26  16.215  -0.869  15.768
  169    HD2  TYR  26           HD2      TYR  26  15.285   2.777  17.743
  170    HE1  TYR  26           HE1      TYR  26  14.207  -1.901  16.723
  171    HE2  TYR  26           HE2      TYR  26  13.281   1.753  18.697
  172    HH   TYR  26           HH       TYR  26  12.605  -1.667  18.333
  173    H    ASP  27           H        ASP  27  16.127   2.563  12.261
  174    HA   ASP  27           HA       ASP  27  14.146   4.363  12.884
  175   1HB   ASP  27          2HB       ASP  27  14.721   2.751  10.421
  176   2HB   ASP  27          1HB       ASP  27  13.671   4.132  10.477
  177    H    CYS  28           H        CYS  28  14.155   1.139  11.968
  178    HA   CYS  28           HA       CYS  28  11.229   0.797  12.170
  179   1HB   CYS  28          2HB       CYS  28  13.515  -0.804  11.118
  180   2HB   CYS  28          1HB       CYS  28  12.130  -1.682  11.658
  181    H    LYS  29           H        LYS  29  10.202  -0.349  13.705
  182    HA   LYS  29           HA       LYS  29  11.269  -0.473  16.265
  183   1HB   LYS  29          2HB       LYS  29   8.799  -1.724  15.016
  184   2HB   LYS  29          1HB       LYS  29   9.142  -1.920  16.721
  185   1HG   LYS  29          2HG       LYS  29   7.775  -0.027  16.754
  186   2HG   LYS  29          1HG       LYS  29   9.365   0.694  16.787
  187   1HD   LYS  29          2HD       LYS  29   8.378   0.218  14.018
  188   2HD   LYS  29          1HD       LYS  29   7.313   1.249  14.943
  189   1HE   LYS  29          2HE       LYS  29   8.981   2.898  15.290
  190   2HE   LYS  29          1HE       LYS  29  10.298   1.799  14.917
  191   1HZ   LYS  29          1HZ       LYS  29   9.733   1.804  12.656
  192   2HZ   LYS  29          2HZ       LYS  29   9.717   3.427  13.153
  193   3HZ   LYS  29          3HZ       LYS  29   8.254   2.590  12.934
  194    H    ASP  30           H        ASP  30  11.312  -2.675  13.780
  195    HA   ASP  30           HA       ASP  30  12.040  -4.992  15.335
  196   1HB   ASP  30          2HB       ASP  30  10.474  -5.062  13.506
  197   2HB   ASP  30          1HB       ASP  30  11.871  -4.719  12.483
  198    H    MET  31           H        MET  31  13.627  -2.436  14.335
  199    HA   MET  31           HA       MET  31  15.830  -1.803  13.885
  200   1HB   MET  31          2HB       MET  31  16.026  -3.341  16.016
  201   2HB   MET  31          1HB       MET  31  16.683  -4.541  14.926
  202   1HG   MET  31          2HG       MET  31  17.951  -1.925  14.528
  203   2HG   MET  31          1HG       MET  31  18.082  -2.458  16.174
  204   1HE   MET  31          1HE       MET  31  18.780  -5.114  16.638
  205   2HE   MET  31          2HE       MET  31  19.934  -3.823  17.046
  206   3HE   MET  31          3HE       MET  31  20.475  -5.278  16.229
  207    H    SER  32           H        SER  32  14.258  -3.767  12.050
  208    HA   SER  32           HA       SER  32  16.250  -5.184  10.575
  209   1HB   SER  32          2HB       SER  32  13.824  -5.835  10.683
  210   2HB   SER  32          1HB       SER  32  13.437  -4.403   9.719
  211    HG   SER  32           HG       SER  32  15.055  -6.625   9.056
  212    H    ASP  33           H        ASP  33  15.693  -1.938  10.732
  213    HA   ASP  33           HA       ASP  33  16.175  -1.315   7.926
  214   1HB   ASP  33          2HB       ASP  33  15.874   0.880   8.631
  215   2HB   ASP  33          1HB       ASP  33  14.675  -0.065   9.456
  216    H    GLU  34           H        GLU  34  17.827  -2.233  10.666
  217    HA   GLU  34           HA       GLU  34  20.376  -1.054   9.839
  218   1HB   GLU  34          2HB       GLU  34  19.004  -1.703  12.416
  219   2HB   GLU  34          1HB       GLU  34  20.736  -1.675  12.368
  220   1HG   GLU  34          2HG       GLU  34  18.784   0.587  11.723
  221   2HG   GLU  34          1HG       GLU  34  19.904   0.593  13.048
  222    H    VAL  35           H        VAL  35  18.996  -3.346   8.825
  223    HA   VAL  35           HA       VAL  35  20.888  -5.433   9.390
  224    HB   VAL  35           HB       VAL  35  18.319  -5.394  10.005
  225   1HG1  VAL  35          1HG1      VAL  35  18.479  -7.225   7.617
  226   2HG1  VAL  35          2HG1      VAL  35  17.762  -5.616   7.546
  227   3HG1  VAL  35          3HG1      VAL  35  17.060  -6.852   8.594
  228   1HG2  VAL  35          1HG2      VAL  35  18.561  -7.874  10.394
  229   2HG2  VAL  35          2HG2      VAL  35  19.921  -6.933  10.982
  230   3HG2  VAL  35          3HG2      VAL  35  20.056  -7.822   9.473
  231    H    GLY  36           H        GLY  36  20.747  -7.028   7.658
  232   1HA   GLY  36          2HA       GLY  36  21.091  -7.764   5.512
  233   2HA   GLY  36          1HA       GLY  36  20.165  -6.355   4.997
  234    H    CYS  37           H        CYS  37  22.331  -5.077   6.786
  235    HA   CYS  37           HA       CYS  37  24.003  -4.079   4.737
  236   1HB   CYS  37          2HB       CYS  37  23.048  -2.978   6.777
  237   2HB   CYS  37          1HB       CYS  37  24.563  -3.523   7.465
  238    H    VAL  38           H        VAL  38  24.832  -5.448   7.862
  239    HA   VAL  38           HA       VAL  38  27.315  -6.642   6.765
  240    HB   VAL  38           HB       VAL  38  26.737  -5.991   9.712
  241   1HG1  VAL  38          1HG1      VAL  38  28.662  -7.520   9.282
  242   2HG1  VAL  38          2HG1      VAL  38  29.232  -5.973   9.874
  243   3HG1  VAL  38          3HG1      VAL  38  29.349  -6.352   8.164
  244   1HG2  VAL  38          1HG2      VAL  38  27.932  -4.169   7.581
  245   2HG2  VAL  38          2HG2      VAL  38  28.158  -3.896   9.301
  246   3HG2  VAL  38          3HG2      VAL  38  26.548  -3.842   8.614
  247    H    ASN  39           H        ASN  39  25.137  -7.875   6.239
  248    HA   ASN  39           HA       ASN  39  24.402  -9.901   8.230
  249   1HB   ASN  39          2HB       ASN  39  23.275  -8.873   5.771
  250   2HB   ASN  39          1HB       ASN  39  23.474 -10.604   5.565
  251   1HD2  ASN  39          1HD2      ASN  39  21.853  -8.122   7.478
  252   2HD2  ASN  39          2HD2      ASN  39  20.748  -9.170   8.232
  Start of MODEL   14
    1    H    ALA   1           H        ALA   1   2.747  -2.692   0.853
    2    HA   ALA   1           HA       ALA   1   2.869  -1.407  -1.752
    3   1HB   ALA   1          1HB       ALA   1   1.403   0.201  -0.612
    4   2HB   ALA   1          2HB       ALA   1   2.985   0.936  -0.806
    5   3HB   ALA   1          3HB       ALA   1   2.502   0.292   0.756
    6    H    THR   2           H        THR   2   4.921  -1.288  -2.344
    7    HA   THR   2           HA       THR   2   7.078  -1.801  -0.376
    8    HB   THR   2           HB       THR   2   7.754  -1.395  -3.281
    9    HG1  THR   2           HG1      THR   2   5.689  -2.441  -3.270
   10   1HG2  THR   2          1HG2      THR   2   8.209  -3.738  -1.341
   11   2HG2  THR   2          2HG2      THR   2   9.358  -2.428  -1.560
   12   3HG2  THR   2          3HG2      THR   2   9.006  -3.512  -2.891
   13    H    CYS   3           H        CYS   3   9.168  -0.631  -0.937
   14    HA   CYS   3           HA       CYS   3   8.798   2.180  -0.537
   15   1HB   CYS   3          2HB       CYS   3  11.284   0.825  -0.657
   16   2HB   CYS   3          1HB       CYS   3  10.702   2.051   0.427
   17    H    ARG   4           H        ARG   4  10.565   3.558  -1.472
   18    HA   ARG   4           HA       ARG   4  10.325   3.746  -4.250
   19   1HB   ARG   4          2HB       ARG   4  11.536   5.059  -2.025
   20   2HB   ARG   4          1HB       ARG   4  12.198   5.488  -3.540
   21   1HG   ARG   4          2HG       ARG   4   9.343   5.529  -3.869
   22   2HG   ARG   4          1HG       ARG   4   9.634   6.170  -2.268
   23   1HD   ARG   4          2HD       ARG   4  11.148   7.199  -4.700
   24   2HD   ARG   4          1HD       ARG   4   9.609   7.894  -4.199
   25    HE   ARG   4           HE       ARG   4  11.041   7.940  -1.869
   26   1HH1  ARG   4          2HH1      ARG   4  11.723   8.994  -5.105
   27   2HH1  ARG   4          1HH1      ARG   4  12.758  10.279  -4.585
   28   1HH2  ARG   4          1HH2      ARG   4  12.342   9.557  -1.196
   29   2HH2  ARG   4          2HH2      ARG   4  13.116  10.604  -2.338
   30    HA   PRO   5           HA       PRO   5  13.908   1.673  -5.710
   31   1HB   PRO   5          2HB       PRO   5  14.971   3.610  -7.539
   32   2HB   PRO   5          1HB       PRO   5  13.837   2.325  -7.920
   33   1HG   PRO   5          2HG       PRO   5  13.308   5.196  -7.671
   34   2HG   PRO   5          1HG       PRO   5  12.229   3.939  -8.259
   35   1HD   PRO   5          2HD       PRO   5  12.134   5.290  -5.708
   36   2HD   PRO   5          1HD       PRO   5  11.064   3.998  -6.280
   37    H    ASP   6           H        ASP   6  14.263   4.703  -4.490
   38    HA   ASP   6           HA       ASP   6  17.120   4.655  -4.060
   39   1HB   ASP   6          2HB       ASP   6  16.689   6.854  -3.013
   40   2HB   ASP   6          1HB       ASP   6  16.209   6.735  -4.698
   41    H    GLU   7           H        GLU   7  14.266   3.756  -2.506
   42    HA   GLU   7           HA       GLU   7  15.274   3.887   0.203
   43   1HB   GLU   7          2HB       GLU   7  12.673   3.517  -1.147
   44   2HB   GLU   7          1HB       GLU   7  12.844   2.537   0.292
   45   1HG   GLU   7          2HG       GLU   7  13.712   4.524   1.432
   46   2HG   GLU   7          1HG       GLU   7  13.277   5.492   0.080
   47    H    PHE   8           H        PHE   8  14.826   2.253   1.576
   48    HA   PHE   8           HA       PHE   8  15.508  -0.470   0.745
   49   1HB   PHE   8          2HB       PHE   8  17.355   0.733   1.731
   50   2HB   PHE   8          1HB       PHE   8  16.465   0.996   3.223
   51    HD1  PHE   8           HD1      PHE   8  17.902  -1.688   1.051
   52    HD2  PHE   8           HD2      PHE   8  16.263  -0.739   4.869
   53    HE1  PHE   8           HE1      PHE   8  18.555  -3.899   1.891
   54    HE2  PHE   8           HE2      PHE   8  16.920  -2.945   5.704
   55    HZ   PHE   8           HZ       PHE   8  18.066  -4.533   4.218
   56    H    GLN   9           H        GLN   9  14.520  -2.078   1.896
   57    HA   GLN   9           HA       GLN   9  12.284  -1.244   3.656
   58   1HB   GLN   9          2HB       GLN   9  11.902  -2.058   1.480
   59   2HB   GLN   9          1HB       GLN   9  12.567  -3.610   1.898
   60   1HG   GLN   9          2HG       GLN   9  10.743  -3.978   3.559
   61   2HG   GLN   9          1HG       GLN   9  10.204  -2.312   3.403
   62   1HE2  GLN   9          1HE2      GLN   9  10.356  -5.430   1.697
   63   2HE2  GLN   9          2HE2      GLN   9   9.122  -5.070   0.587
   64    H    CYS  10           H        CYS  10  11.814  -2.218   5.415
   65    HA   CYS  10           HA       CYS  10  13.737  -3.700   6.862
   66   1HB   CYS  10          2HB       CYS  10  11.064  -2.571   7.381
   67   2HB   CYS  10          1HB       CYS  10  11.910  -3.449   8.531
   68    H    SER  11           H        SER  11  12.640  -5.390   8.313
   69    HA   SER  11           HA       SER  11  11.624  -7.498   6.606
   70   1HB   SER  11          2HB       SER  11  13.474  -7.926   8.276
   71   2HB   SER  11          1HB       SER  11  12.314  -7.626   9.579
   72    HG   SER  11           HG       SER  11  11.024  -9.274   8.729
   73    H    ASP  12           H        ASP  12  10.565  -5.226   8.997
   74    HA   ASP  12           HA       ASP  12   8.131  -6.548   9.656
   75   1HB   ASP  12          2HB       ASP  12   7.976  -4.548  11.055
   76   2HB   ASP  12          1HB       ASP  12   9.433  -5.501  11.309
   77    H    GLY  13           H        GLY  13   8.976  -5.270   6.925
   78   1HA   GLY  13          2HA       GLY  13   7.756  -4.602   5.110
   79   2HA   GLY  13          1HA       GLY  13   6.384  -4.429   6.164
   80    H    ASN  14           H        ASN  14   8.466  -2.547   7.742
   81    HA   ASN  14           HA       ASN  14   7.433  -0.116   6.598
   82   1HB   ASN  14          2HB       ASN  14   7.777  -0.362   8.999
   83   2HB   ASN  14          1HB       ASN  14   9.501  -0.580   8.729
   84   1HD2  ASN  14          1HD2      ASN  14  10.790   1.294   8.376
   85   2HD2  ASN  14          2HD2      ASN  14  10.170   2.871   8.454
   86    H    CYS  15           H        CYS  15   8.981   1.678   6.040
   87    HA   CYS  15           HA       CYS  15  11.383   0.642   4.575
   88   1HB   CYS  15          2HB       CYS  15   9.687   2.825   3.689
   89   2HB   CYS  15          1HB       CYS  15  11.004   2.088   2.821
   90    H    ILE  16           H        ILE  16  13.113   2.013   4.315
   91    HA   ILE  16           HA       ILE  16  13.272   4.554   5.758
   92    HB   ILE  16           HB       ILE  16  15.490   3.897   6.534
   93   1HG1  ILE  16          2HG1      ILE  16  14.811   1.143   5.335
   94   2HG1  ILE  16          1HG1      ILE  16  15.978   2.265   4.705
   95   1HG2  ILE  16          1HG2      ILE  16  13.705   1.658   7.486
   96   2HG2  ILE  16          2HG2      ILE  16  13.327   3.333   7.890
   97   3HG2  ILE  16          3HG2      ILE  16  14.863   2.636   8.372
   98   1HD1  ILE  16          1HD1      ILE  16  16.228   0.403   6.899
   99   2HD1  ILE  16          2HD1      ILE  16  16.845   2.010   7.304
  100   3HD1  ILE  16          3HD1      ILE  16  17.466   1.133   5.917
  101    H    HIS  17           H        HIS  17  15.123   5.820   4.863
  102    HA   HIS  17           HA       HIS  17  15.256   5.582   1.992
  103   1HB   HIS  17          2HB       HIS  17  15.396   7.667   3.292
  104   2HB   HIS  17          1HB       HIS  17  17.029   7.118   3.658
  105    HD1  HIS  17           HD1      HIS  17  18.708   7.632   1.820
  106    HD2  HIS  17           HD2      HIS  17  14.891   7.866   0.379
  107    HE1  HIS  17           HE1      HIS  17  18.894   8.428  -0.508
  108    H    GLY  18           H        GLY  18  17.270   5.161   0.769
  109   1HA   GLY  18          2HA       GLY  18  18.633   2.921   1.558
  110   2HA   GLY  18          1HA       GLY  18  19.179   4.010   0.285
  111    H    SER  19           H        SER  19  19.101   6.227   2.297
  112    HA   SER  19           HA       SER  19  21.794   5.999   3.246
  113   1HB   SER  19          2HB       SER  19  20.835   8.036   1.983
  114   2HB   SER  19          1HB       SER  19  20.003   8.448   3.489
  115    HG   SER  19           HG       SER  19  21.901   9.335   3.846
  116    H    ARG  20           H        ARG  20  18.691   5.551   4.529
  117    HA   ARG  20           HA       ARG  20  19.249   6.327   7.233
  118   1HB   ARG  20          2HB       ARG  20  17.074   5.526   5.624
  119   2HB   ARG  20          1HB       ARG  20  16.973   5.081   7.296
  120   1HG   ARG  20          2HG       ARG  20  17.732   7.916   6.508
  121   2HG   ARG  20          1HG       ARG  20  16.056   7.444   6.364
  122   1HD   ARG  20          2HD       ARG  20  17.009   6.563   8.982
  123   2HD   ARG  20          1HD       ARG  20  17.447   8.242   8.744
  124    HE   ARG  20           HE       ARG  20  15.204   8.806   8.948
  125   1HH1  ARG  20          2HH1      ARG  20  15.445   5.467   8.028
  126   2HH1  ARG  20          1HH1      ARG  20  13.736   5.216   8.107
  127   1HH2  ARG  20          1HH2      ARG  20  13.055   8.492   9.078
  128   2HH2  ARG  20          2HH2      ARG  20  12.368   6.941   8.720
  129    H    GLN  21           H        GLN  21  19.907   3.740   5.334
  130    HA   GLN  21           HA       GLN  21  19.616   1.668   7.328
  131   1HB   GLN  21          2HB       GLN  21  19.099   1.411   4.833
  132   2HB   GLN  21          1HB       GLN  21  20.803   1.574   4.568
  133   1HG   GLN  21          2HG       GLN  21  20.879  -0.428   6.457
  134   2HG   GLN  21          1HG       GLN  21  19.280  -0.729   5.810
  135   1HE2  GLN  21          1HE2      GLN  21  22.473   0.176   4.378
  136   2HE2  GLN  21          2HE2      GLN  21  22.450  -1.039   3.193
  137    H    CYS  22           H        CYS  22  21.324   0.822   8.453
  138    HA   CYS  22           HA       CYS  22  23.493   0.525   9.296
  139   1HB   CYS  22          2HB       CYS  22  24.559   1.642   6.818
  140   2HB   CYS  22          1HB       CYS  22  25.316   0.515   7.883
  141    H    ASP  23           H        ASP  23  22.505   2.486  10.386
  142    HA   ASP  23           HA       ASP  23  24.723   4.385  10.859
  143   1HB   ASP  23          2HB       ASP  23  22.685   6.220  10.929
  144   2HB   ASP  23          1HB       ASP  23  23.619   5.935   9.478
  145    H    ARG  24           H        ARG  24  22.767   2.196  11.815
  146    HA   ARG  24           HA       ARG  24  21.696   1.424  13.593
  147   1HB   ARG  24          2HB       ARG  24  23.006   1.402  15.490
  148   2HB   ARG  24          1HB       ARG  24  24.097   1.445  14.136
  149   1HG   ARG  24          2HG       ARG  24  24.930   3.566  14.612
  150   2HG   ARG  24          1HG       ARG  24  23.459   4.129  15.370
  151   1HD   ARG  24          2HD       ARG  24  25.405   2.141  16.604
  152   2HD   ARG  24          1HD       ARG  24  25.247   3.831  17.063
  153    HE   ARG  24           HE       ARG  24  23.468   1.660  17.825
  154   1HH1  ARG  24          1HH2      ARG  24  23.687   5.067  17.234
  155   2HH1  ARG  24          2HH2      ARG  24  22.344   5.444  18.260
  156   1HH2  ARG  24          2HH1      ARG  24  21.769   2.111  19.118
  157   2HH2  ARG  24          1HH1      ARG  24  21.243   3.747  19.342
  158    H    GLU  25           H        GLU  25  20.754   3.873  12.670
  159    HA   GLU  25           HA       GLU  25  19.724   5.262  15.102
  160   1HB   GLU  25          2HB       GLU  25  19.575   5.846  12.123
  161   2HB   GLU  25          1HB       GLU  25  18.662   6.783  13.287
  162   1HG   GLU  25          2HG       GLU  25  21.555   6.513  13.972
  163   2HG   GLU  25          1HG       GLU  25  21.256   7.382  12.480
  164    H    TYR  26           H        TYR  26  19.102   2.863  14.819
  165    HA   TYR  26           HA       TYR  26  17.311   1.296  14.031
  166   1HB   TYR  26          2HB       TYR  26  17.895   0.972  16.254
  167   2HB   TYR  26          1HB       TYR  26  17.384   2.559  16.760
  168    HD1  TYR  26           HD1      TYR  26  15.193   2.914  17.671
  169    HD2  TYR  26           HD2      TYR  26  16.160  -0.838  15.921
  170    HE1  TYR  26           HE1      TYR  26  13.163   1.947  18.628
  171    HE2  TYR  26           HE2      TYR  26  14.124  -1.812  16.882
  172    HH   TYR  26           HH       TYR  26  11.639   0.071  18.207
  173    H    ASP  27           H        ASP  27  16.191   2.488  12.267
  174    HA   ASP  27           HA       ASP  27  14.217   4.323  12.751
  175   1HB   ASP  27          2HB       ASP  27  14.877   2.589  10.392
  176   2HB   ASP  27          1HB       ASP  27  13.768   3.917  10.326
  177    H    CYS  28           H        CYS  28  14.202   1.064  11.987
  178    HA   CYS  28           HA       CYS  28  11.267   0.778  12.165
  179   1HB   CYS  28          2HB       CYS  28  13.534  -0.903  11.196
  180   2HB   CYS  28          1HB       CYS  28  12.131  -1.730  11.761
  181    H    LYS  29           H        LYS  29  10.200  -0.317  13.701
  182    HA   LYS  29           HA       LYS  29  11.183  -0.345  16.293
  183   1HB   LYS  29          2HB       LYS  29   9.041  -1.763  16.757
  184   2HB   LYS  29          1HB       LYS  29   8.822  -0.172  16.079
  185   1HG   LYS  29          2HG       LYS  29   9.166  -2.432  14.110
  186   2HG   LYS  29          1HG       LYS  29   7.681  -2.421  15.027
  187   1HD   LYS  29          2HD       LYS  29   6.831  -0.606  13.924
  188   2HD   LYS  29          1HD       LYS  29   8.347   0.267  13.951
  189   1HE   LYS  29          2HE       LYS  29   7.851  -0.218  11.635
  190   2HE   LYS  29          1HE       LYS  29   9.177  -1.276  12.096
  191   1HZ   LYS  29          1HZ       LYS  29   7.329  -2.347  10.855
  192   2HZ   LYS  29          2HZ       LYS  29   6.336  -2.094  12.210
  193   3HZ   LYS  29          3HZ       LYS  29   7.715  -3.080  12.339
  194    H    ASP  30           H        ASP  30  11.332  -2.666  13.922
  195    HA   ASP  30           HA       ASP  30  12.039  -4.874  15.659
  196   1HB   ASP  30          2HB       ASP  30  10.414  -5.298  14.071
  197   2HB   ASP  30          1HB       ASP  30  11.485  -4.639  12.851
  198    H    MET  31           H        MET  31  13.614  -2.392  14.552
  199    HA   MET  31           HA       MET  31  15.787  -1.781  14.010
  200   1HB   MET  31          2HB       MET  31  16.032  -3.270  16.161
  201   2HB   MET  31          1HB       MET  31  16.665  -4.496  15.087
  202   1HG   MET  31          2HG       MET  31  18.649  -3.432  14.856
  203   2HG   MET  31          1HG       MET  31  17.913  -1.875  14.622
  204   1HE   MET  31          1HE       MET  31  18.397  -4.530  17.460
  205   2HE   MET  31          2HE       MET  31  19.538  -3.661  18.466
  206   3HE   MET  31          3HE       MET  31  20.002  -4.090  16.828
  207    H    SER  32           H        SER  32  14.193  -3.776  12.220
  208    HA   SER  32           HA       SER  32  16.180  -5.206  10.754
  209   1HB   SER  32          2HB       SER  32  13.701  -5.793  10.854
  210   2HB   SER  32          1HB       SER  32  13.390  -4.414   9.788
  211    HG   SER  32           HG       SER  32  15.119  -6.614   9.328
  212    H    ASP  33           H        ASP  33  15.742  -1.978  10.904
  213    HA   ASP  33           HA       ASP  33  16.188  -1.367   8.096
  214   1HB   ASP  33          2HB       ASP  33  15.920   0.852   8.825
  215   2HB   ASP  33          1HB       ASP  33  14.747  -0.097   9.672
  216    H    GLU  34           H        GLU  34  17.893  -2.322  10.800
  217    HA   GLU  34           HA       GLU  34  20.449  -1.236   9.893
  218   1HB   GLU  34          2HB       GLU  34  19.167  -1.871  12.524
  219   2HB   GLU  34          1HB       GLU  34  20.886  -1.738  12.394
  220   1HG   GLU  34          2HG       GLU  34  18.763   0.382  11.870
  221   2HG   GLU  34          1HG       GLU  34  19.973   0.489  13.095
  222    H    VAL  35           H        VAL  35  19.033  -3.573   8.968
  223    HA   VAL  35           HA       VAL  35  20.825  -5.681   9.743
  224    HB   VAL  35           HB       VAL  35  18.261  -5.625  10.081
  225   1HG1  VAL  35          1HG1      VAL  35  17.021  -6.732   8.390
  226   2HG1  VAL  35          2HG1      VAL  35  18.488  -7.112   7.479
  227   3HG1  VAL  35          3HG1      VAL  35  17.926  -5.444   7.585
  228   1HG2  VAL  35          1HG2      VAL  35  18.309  -8.071  10.293
  229   2HG2  VAL  35          2HG2      VAL  35  19.850  -7.426  10.825
  230   3HG2  VAL  35          3HG2      VAL  35  19.711  -8.171   9.241
  231    H    GLY  36           H        GLY  36  21.069  -7.255   8.212
  232   1HA   GLY  36          2HA       GLY  36  21.952  -8.158   6.290
  233   2HA   GLY  36          1HA       GLY  36  20.848  -7.071   5.450
  234    H    CYS  37           H        CYS  37  22.780  -5.380   7.391
  235    HA   CYS  37           HA       CYS  37  24.215  -4.075   5.360
  236   1HB   CYS  37          2HB       CYS  37  23.412  -3.179   7.483
  237   2HB   CYS  37          1HB       CYS  37  24.896  -3.845   8.127
  238    H    VAL  38           H        VAL  38  25.486  -5.724   8.202
  239    HA   VAL  38           HA       VAL  38  27.755  -6.827   6.655
  240    HB   VAL  38           HB       VAL  38  27.883  -5.696   9.512
  241   1HG1  VAL  38          1HG1      VAL  38  30.008  -6.719   7.568
  242   2HG1  VAL  38          2HG1      VAL  38  29.687  -7.288   9.197
  243   3HG1  VAL  38          3HG1      VAL  38  30.426  -5.722   8.949
  244   1HG2  VAL  38          1HG2      VAL  38  28.685  -4.368   6.887
  245   2HG2  VAL  38          2HG2      VAL  38  29.223  -3.797   8.458
  246   3HG2  VAL  38          3HG2      VAL  38  27.517  -3.784   8.062
  247    H    ASN  39           H        ASN  39  25.537  -8.070   6.899
  248    HA   ASN  39           HA       ASN  39  26.030 -10.250   8.888
  249   1HB   ASN  39          2HB       ASN  39  24.046  -8.694   9.476
  250   2HB   ASN  39          1HB       ASN  39  23.244  -9.328   8.046
  251   1HD2  ASN  39          1HD2      ASN  39  24.662 -10.293  11.173
  252   2HD2  ASN  39          2HD2      ASN  39  23.757 -11.721  11.337
  Start of MODEL   15
    1    H    ALA   1           H        ALA   1   2.610  -2.106   1.262
    2    HA   ALA   1           HA       ALA   1   2.951  -2.070  -1.654
    3   1HB   ALA   1          1HB       ALA   1   3.147   0.416  -1.744
    4   2HB   ALA   1          2HB       ALA   1   2.719   0.510  -0.041
    5   3HB   ALA   1          3HB       ALA   1   1.545  -0.068  -1.213
    6    H    THR   2           H        THR   2   5.043  -1.486  -2.317
    7    HA   THR   2           HA       THR   2   7.141  -1.962  -0.278
    8    HB   THR   2           HB       THR   2   7.901  -1.523  -3.159
    9    HG1  THR   2           HG1      THR   2   6.223  -3.591  -2.185
   10   1HG2  THR   2          1HG2      THR   2   9.185  -3.616  -2.738
   11   2HG2  THR   2          2HG2      THR   2   8.355  -3.854  -1.210
   12   3HG2  THR   2          3HG2      THR   2   9.485  -2.523  -1.400
   13    H    CYS   3           H        CYS   3   9.226  -0.751  -0.776
   14    HA   CYS   3           HA       CYS   3   8.808   2.051  -0.340
   15   1HB   CYS   3          2HB       CYS   3  11.307   0.715  -0.433
   16   2HB   CYS   3          1HB       CYS   3  10.710   1.924   0.660
   17    H    ARG   4           H        ARG   4  10.603   3.451  -1.236
   18    HA   ARG   4           HA       ARG   4  10.362   3.732  -3.992
   19   1HB   ARG   4          2HB       ARG   4  11.719   4.876  -1.757
   20   2HB   ARG   4          1HB       ARG   4  12.355   5.327  -3.275
   21   1HG   ARG   4          2HG       ARG   4   9.597   5.662  -3.647
   22   2HG   ARG   4          1HG       ARG   4   9.765   5.979  -1.932
   23   1HD   ARG   4          2HD       ARG   4  11.291   7.409  -4.157
   24   2HD   ARG   4          1HD       ARG   4   9.979   8.095  -3.200
   25    HE   ARG   4           HE       ARG   4  11.892   7.223  -1.346
   26   1HH1  ARG   4          2HH1      ARG   4  11.706   9.442  -3.999
   27   2HH1  ARG   4          1HH1      ARG   4  12.896  10.511  -3.337
   28   1HH2  ARG   4          1HH2      ARG   4  13.397   8.559  -0.488
   29   2HH2  ARG   4          2HH2      ARG   4  13.869  10.006  -1.317
   30    HA   PRO   5           HA       PRO   5  13.783   1.477  -5.576
   31   1HB   PRO   5          2HB       PRO   5  14.938   3.394  -7.367
   32   2HB   PRO   5          1HB       PRO   5  13.715   2.198  -7.769
   33   1HG   PRO   5          2HG       PRO   5  13.380   5.085  -7.426
   34   2HG   PRO   5          1HG       PRO   5  12.219   3.918  -8.041
   35   1HD   PRO   5          2HD       PRO   5  12.216   5.191  -5.451
   36   2HD   PRO   5          1HD       PRO   5  11.076   3.972  -6.048
   37    H    ASP   6           H        ASP   6  14.318   4.480  -4.355
   38    HA   ASP   6           HA       ASP   6  17.160   4.259  -3.902
   39   1HB   ASP   6          2HB       ASP   6  16.897   6.511  -2.948
   40   2HB   ASP   6          1HB       ASP   6  16.325   6.378  -4.603
   41    H    GLU   7           H        GLU   7  14.307   3.443  -2.326
   42    HA   GLU   7           HA       GLU   7  15.316   3.707   0.379
   43   1HB   GLU   7          2HB       GLU   7  12.707   3.208  -0.926
   44   2HB   GLU   7          1HB       GLU   7  12.917   2.340   0.580
   45   1HG   GLU   7          2HG       GLU   7  13.767   4.415   1.561
   46   2HG   GLU   7          1HG       GLU   7  13.302   5.276   0.157
   47    H    PHE   8           H        PHE   8  14.968   2.177   1.838
   48    HA   PHE   8           HA       PHE   8  15.718  -0.572   1.109
   49   1HB   PHE   8          2HB       PHE   8  17.487   0.707   2.069
   50   2HB   PHE   8          1HB       PHE   8  16.597   0.988   3.566
   51    HD1  PHE   8           HD1      PHE   8  16.277  -0.824   5.185
   52    HD2  PHE   8           HD2      PHE   8  18.371  -1.557   1.545
   53    HE1  PHE   8           HE1      PHE   8  17.073  -2.967   6.072
   54    HE2  PHE   8           HE2      PHE   8  19.163  -3.700   2.438
   55    HZ   PHE   8           HZ       PHE   8  18.516  -4.409   4.701
   56    H    GLN   9           H        GLN   9  14.525  -2.063   1.863
   57    HA   GLN   9           HA       GLN   9  12.348  -1.416   3.771
   58   1HB   GLN   9          2HB       GLN   9  11.923  -2.083   1.553
   59   2HB   GLN   9          1HB       GLN   9  12.622  -3.652   1.839
   60   1HG   GLN   9          2HG       GLN   9  10.814  -4.177   3.495
   61   2HG   GLN   9          1HG       GLN   9  10.292  -2.500   3.511
   62   1HE2  GLN   9          1HE2      GLN   9  10.758  -5.135   1.091
   63   2HE2  GLN   9          2HE2      GLN   9   9.336  -4.792   0.228
   64    H    CYS  10           H        CYS  10  11.968  -2.441   5.479
   65    HA   CYS  10           HA       CYS  10  13.910  -4.120   6.689
   66   1HB   CYS  10          2HB       CYS  10  11.491  -2.674   7.516
   67   2HB   CYS  10          1HB       CYS  10  12.221  -3.782   8.535
   68    H    SER  11           H        SER  11  12.795  -5.623   8.304
   69    HA   SER  11           HA       SER  11  11.542  -7.746   6.794
   70   1HB   SER  11          2HB       SER  11  13.497  -8.162   8.378
   71   2HB   SER  11          1HB       SER  11  12.415  -7.765   9.720
   72    HG   SER  11           HG       SER  11  11.013  -9.391   8.974
   73    H    ASP  12           H        ASP  12  10.772  -5.287   9.141
   74    HA   ASP  12           HA       ASP  12   8.314  -6.487   9.962
   75   1HB   ASP  12          2HB       ASP  12   8.398  -4.908  11.599
   76   2HB   ASP  12          1HB       ASP  12  10.049  -5.306  11.278
   77    H    GLY  13           H        GLY  13   9.045  -5.483   7.188
   78   1HA   GLY  13          2HA       GLY  13   7.979  -4.666   5.363
   79   2HA   GLY  13          1HA       GLY  13   6.548  -4.543   6.358
   80    H    ASN  14           H        ASN  14   8.801  -2.728   7.957
   81    HA   ASN  14           HA       ASN  14   7.682  -0.259   6.977
   82   1HB   ASN  14          2HB       ASN  14   8.090  -0.634   9.346
   83   2HB   ASN  14          1HB       ASN  14   9.817  -0.803   9.042
   84   1HD2  ASN  14          1HD2      ASN  14  10.984   1.152   9.239
   85   2HD2  ASN  14          2HD2      ASN  14  10.298   2.702   9.173
   86    H    CYS  15           H        CYS  15   9.164   1.533   6.309
   87    HA   CYS  15           HA       CYS  15  11.590   0.514   4.868
   88   1HB   CYS  15          2HB       CYS  15   9.914   2.669   3.875
   89   2HB   CYS  15          1HB       CYS  15  11.182   1.825   3.043
   90    H    ILE  16           H        ILE  16  13.265   1.987   4.549
   91    HA   ILE  16           HA       ILE  16  13.276   4.572   5.918
   92    HB   ILE  16           HB       ILE  16  15.484   4.035   6.788
   93   1HG1  ILE  16          2HG1      ILE  16  15.126   1.113   5.844
   94   2HG1  ILE  16          1HG1      ILE  16  15.845   2.294   4.810
   95   1HG2  ILE  16          1HG2      ILE  16  13.500   1.850   7.543
   96   2HG2  ILE  16          2HG2      ILE  16  13.586   3.458   8.260
   97   3HG2  ILE  16          3HG2      ILE  16  14.908   2.321   8.471
   98   1HD1  ILE  16          1HD1      ILE  16  17.068   2.479   7.374
   99   2HD1  ILE  16          2HD1      ILE  16  17.736   2.338   5.756
  100   3HD1  ILE  16          3HD1      ILE  16  17.249   0.886   6.622
  101    H    HIS  17           H        HIS  17  15.141   5.849   5.008
  102    HA   HIS  17           HA       HIS  17  15.215   5.571   2.137
  103   1HB   HIS  17          2HB       HIS  17  15.368   7.685   3.380
  104   2HB   HIS  17          1HB       HIS  17  17.007   7.148   3.758
  105    HD1  HIS  17           HD1      HIS  17  18.691   7.557   1.885
  106    HD2  HIS  17           HD2      HIS  17  14.872   7.884   0.488
  107    HE1  HIS  17           HE1      HIS  17  18.872   8.310  -0.457
  108    H    GLY  18           H        GLY  18  17.201   5.145   0.873
  109   1HA   GLY  18          2HA       GLY  18  18.586   2.915   1.635
  110   2HA   GLY  18          1HA       GLY  18  19.093   3.998   0.345
  111    H    SER  19           H        SER  19  19.054   6.188   2.435
  112    HA   SER  19           HA       SER  19  21.804   6.004   3.216
  113   1HB   SER  19          2HB       SER  19  19.847   8.328   3.438
  114   2HB   SER  19          1HB       SER  19  21.603   8.438   3.641
  115    HG   SER  19           HG       SER  19  20.197   7.531   1.352
  116    H    ARG  20           H        ARG  20  18.806   5.426   4.726
  117    HA   ARG  20           HA       ARG  20  19.585   6.174   7.379
  118   1HB   ARG  20          2HB       ARG  20  17.281   5.363   5.959
  119   2HB   ARG  20          1HB       ARG  20  17.325   4.905   7.635
  120   1HG   ARG  20          2HG       ARG  20  17.830   7.744   6.613
  121   2HG   ARG  20          1HG       ARG  20  16.230   7.193   7.065
  122   1HD   ARG  20          2HD       ARG  20  17.941   6.485   9.243
  123   2HD   ARG  20          1HD       ARG  20  18.379   8.124   8.814
  124    HE   ARG  20           HE       ARG  20  15.855   7.233   9.974
  125   1HH1  ARG  20          2HH1      ARG  20  17.437   9.676   8.086
  126   2HH1  ARG  20          1HH1      ARG  20  16.274  10.893   8.489
  127   1HH2  ARG  20          1HH2      ARG  20  14.375   8.759  10.489
  128   2HH2  ARG  20          2HH2      ARG  20  14.514  10.369   9.864
  129    H    GLN  21           H        GLN  21  19.898   3.545   5.380
  130    HA   GLN  21           HA       GLN  21  19.789   1.450   7.339
  131   1HB   GLN  21          2HB       GLN  21  19.338   1.173   4.854
  132   2HB   GLN  21          1HB       GLN  21  21.028   1.502   4.570
  133   1HG   GLN  21          2HG       GLN  21  21.392  -0.559   6.269
  134   2HG   GLN  21          1HG       GLN  21  19.703  -0.893   5.934
  135   1HE2  GLN  21          1HE2      GLN  21  21.436  -2.850   5.257
  136   2HE2  GLN  21          2HE2      GLN  21  21.643  -2.932   3.575
  137    H    CYS  22           H        CYS  22  21.470   0.766   8.576
  138    HA   CYS  22           HA       CYS  22  23.578   0.615   9.561
  139   1HB   CYS  22          2HB       CYS  22  24.932   1.844   7.283
  140   2HB   CYS  22          1HB       CYS  22  25.427   0.497   8.233
  141    H    ASP  23           H        ASP  23  22.348   2.467  10.569
  142    HA   ASP  23           HA       ASP  23  24.298   4.665  11.006
  143   1HB   ASP  23          2HB       ASP  23  22.574   6.389  10.846
  144   2HB   ASP  23          1HB       ASP  23  22.501   5.467   9.364
  145    H    ARG  24           H        ARG  24  22.385   2.258  11.959
  146    HA   ARG  24           HA       ARG  24  21.453   1.395  13.765
  147   1HB   ARG  24          2HB       ARG  24  22.917   1.259  15.577
  148   2HB   ARG  24          1HB       ARG  24  23.879   1.278  14.132
  149   1HG   ARG  24          2HG       ARG  24  24.696   3.490  14.513
  150   2HG   ARG  24          1HG       ARG  24  23.472   3.855  15.717
  151   1HD   ARG  24          2HD       ARG  24  24.538   2.525  17.370
  152   2HD   ARG  24          1HD       ARG  24  25.467   1.617  16.176
  153    HE   ARG  24           HE       ARG  24  26.137   4.406  16.030
  154   1HH1  ARG  24          1HH2      ARG  24  26.568   1.564  17.967
  155   2HH1  ARG  24          2HH2      ARG  24  28.090   2.092  18.604
  156   1HH2  ARG  24          2HH1      ARG  24  28.056   5.092  16.821
  157   2HH2  ARG  24          1HH1      ARG  24  28.947   4.119  17.944
  158    H    GLU  25           H        GLU  25  20.491   3.874  13.078
  159    HA   GLU  25           HA       GLU  25  19.607   5.099  15.654
  160   1HB   GLU  25          2HB       GLU  25  19.030   5.999  12.800
  161   2HB   GLU  25          1HB       GLU  25  18.688   6.925  14.252
  162   1HG   GLU  25          2HG       GLU  25  21.271   6.903  14.647
  163   2HG   GLU  25          1HG       GLU  25  21.371   6.347  12.981
  164    H    TYR  26           H        TYR  26  18.914   2.733  15.116
  165    HA   TYR  26           HA       TYR  26  17.142   1.233  14.308
  166   1HB   TYR  26          2HB       TYR  26  17.407   1.023  16.629
  167   2HB   TYR  26          1HB       TYR  26  16.855   2.645  16.956
  168    HD1  TYR  26           HD1      TYR  26  14.577   2.988  17.654
  169    HD2  TYR  26           HD2      TYR  26  15.660  -0.701  15.853
  170    HE1  TYR  26           HE1      TYR  26  12.372   2.076  18.198
  171    HE2  TYR  26           HE2      TYR  26  13.451  -1.623  16.399
  172    HH   TYR  26           HH       TYR  26  11.562  -1.300  17.571
  173    H    ASP  27           H        ASP  27  16.509   2.643  12.389
  174    HA   ASP  27           HA       ASP  27  14.524   4.495  12.613
  175   1HB   ASP  27          2HB       ASP  27  15.563   2.940  10.259
  176   2HB   ASP  27          1HB       ASP  27  14.654   4.418  10.156
  177    H    CYS  28           H        CYS  28  14.523   1.225  11.914
  178    HA   CYS  28           HA       CYS  28  11.619   1.130  11.295
  179   1HB   CYS  28          2HB       CYS  28  13.909  -0.759  11.084
  180   2HB   CYS  28          1HB       CYS  28  12.341  -1.442  11.276
  181    H    LYS  29           H        LYS  29  10.152  -0.039  12.484
  182    HA   LYS  29           HA       LYS  29  10.377   0.144  15.266
  183   1HB   LYS  29          2HB       LYS  29   8.347  -0.987  13.339
  184   2HB   LYS  29          1HB       LYS  29   8.140  -1.324  15.038
  185   1HG   LYS  29          2HG       LYS  29   6.872   0.692  14.456
  186   2HG   LYS  29          1HG       LYS  29   8.153   1.080  15.578
  187   1HD   LYS  29          2HD       LYS  29   8.030   2.793  13.826
  188   2HD   LYS  29          1HD       LYS  29   9.557   1.959  13.705
  189   1HE   LYS  29          2HE       LYS  29   8.573   2.256  11.467
  190   2HE   LYS  29          1HE       LYS  29   8.569   0.542  11.831
  191   1HZ   LYS  29          1HZ       LYS  29   6.472   1.484  10.898
  192   2HZ   LYS  29          2HZ       LYS  29   6.249   2.279  12.382
  193   3HZ   LYS  29          3HZ       LYS  29   6.304   0.583  12.328
  194    H    ASP  30           H        ASP  30  11.581  -2.145  13.280
  195    HA   ASP  30           HA       ASP  30  11.707  -4.205  15.330
  196   1HB   ASP  30          2HB       ASP  30  10.262  -4.742  13.552
  197   2HB   ASP  30          1HB       ASP  30  11.624  -4.465  12.473
  198    H    MET  31           H        MET  31  13.470  -1.938  14.036
  199    HA   MET  31           HA       MET  31  15.740  -1.488  13.751
  200   1HB   MET  31          2HB       MET  31  15.682  -2.893  16.026
  201   2HB   MET  31          1HB       MET  31  16.427  -4.145  15.062
  202   1HG   MET  31          2HG       MET  31  18.394  -2.990  14.785
  203   2HG   MET  31          1HG       MET  31  17.637  -1.426  14.827
  204   1HE   MET  31          1HE       MET  31  19.361  -3.812  18.276
  205   2HE   MET  31          2HE       MET  31  19.853  -3.883  16.591
  206   3HE   MET  31          3HE       MET  31  18.278  -4.534  17.103
  207    H    SER  32           H        SER  32  14.194  -3.676  12.048
  208    HA   SER  32           HA       SER  32  16.286  -5.236  10.883
  209   1HB   SER  32          2HB       SER  32  13.902  -5.952  10.901
  210   2HB   SER  32          1HB       SER  32  13.487  -4.609   9.837
  211    HG   SER  32           HG       SER  32  15.427  -6.615   9.313
  212    H    ASP  33           H        ASP  33  15.922  -2.004  10.688
  213    HA   ASP  33           HA       ASP  33  16.433  -1.671   7.841
  214   1HB   ASP  33          2HB       ASP  33  15.891   0.443   8.188
  215   2HB   ASP  33          1HB       ASP  33  15.132  -0.264   9.547
  216    H    GLU  34           H        GLU  34  18.031  -2.401  10.677
  217    HA   GLU  34           HA       GLU  34  20.646  -1.390   9.868
  218   1HB   GLU  34          2HB       GLU  34  19.279  -2.223  12.412
  219   2HB   GLU  34          1HB       GLU  34  20.993  -1.989  12.348
  220   1HG   GLU  34          2HG       GLU  34  18.820   0.052  11.690
  221   2HG   GLU  34          1HG       GLU  34  19.840   0.161  13.092
  222    H    VAL  35           H        VAL  35  19.165  -3.600   8.784
  223    HA   VAL  35           HA       VAL  35  20.965  -5.795   9.253
  224    HB   VAL  35           HB       VAL  35  18.379  -5.709   9.753
  225   1HG1  VAL  35          1HG1      VAL  35  17.925  -5.640   7.260
  226   2HG1  VAL  35          2HG1      VAL  35  17.119  -6.945   8.136
  227   3HG1  VAL  35          3HG1      VAL  35  18.569  -7.278   7.187
  228   1HG2  VAL  35          1HG2      VAL  35  20.013  -8.158   9.016
  229   2HG2  VAL  35          2HG2      VAL  35  18.492  -8.217   9.892
  230   3HG2  VAL  35          3HG2      VAL  35  19.883  -7.423  10.606
  231    H    GLY  36           H        GLY  36  20.956  -7.207   7.434
  232   1HA   GLY  36          2HA       GLY  36  21.656  -7.737   5.289
  233   2HA   GLY  36          1HA       GLY  36  20.399  -6.605   4.797
  234    H    CYS  37           H        CYS  37  22.604  -5.245   6.743
  235    HA   CYS  37           HA       CYS  37  23.671  -3.480   4.822
  236   1HB   CYS  37          2HB       CYS  37  23.071  -2.734   6.914
  237   2HB   CYS  37          1HB       CYS  37  24.241  -3.806   7.624
  238    H    VAL  38           H        VAL  38  25.500  -5.182   7.288
  239    HA   VAL  38           HA       VAL  38  27.721  -5.664   5.397
  240    HB   VAL  38           HB       VAL  38  27.806  -5.951   8.455
  241   1HG1  VAL  38          1HG1      VAL  38  30.230  -5.487   8.130
  242   2HG1  VAL  38          2HG1      VAL  38  29.975  -5.296   6.404
  243   3HG1  VAL  38          3HG1      VAL  38  29.749  -6.864   7.160
  244   1HG2  VAL  38          1HG2      VAL  38  28.177  -3.409   6.814
  245   2HG2  VAL  38          2HG2      VAL  38  28.757  -3.578   8.462
  246   3HG2  VAL  38          3HG2      VAL  38  27.040  -3.672   8.128
  247    H    ASN  39           H        ASN  39  25.602  -7.082   5.043
  248    HA   ASN  39           HA       ASN  39  25.520  -9.630   6.422
  249   1HB   ASN  39          2HB       ASN  39  23.813  -8.281   4.688
  250   2HB   ASN  39          1HB       ASN  39  24.419  -9.557   3.648
  251   1HD2  ASN  39          1HD2      ASN  39  22.711  -8.933   6.703
  252   2HD2  ASN  39          2HD2      ASN  39  22.029 -10.482   6.836
  Start of MODEL   16
    1    H    ALA   1           H        ALA   1   3.561  -0.053  -2.495
    2    HA   ALA   1           HA       ALA   1   2.683  -1.286   0.013
    3   1HB   ALA   1          1HB       ALA   1   3.270  -2.990  -2.454
    4   2HB   ALA   1          2HB       ALA   1   1.702  -2.811  -1.683
    5   3HB   ALA   1          3HB       ALA   1   3.007  -3.621  -0.834
    6    H    THR   2           H        THR   2   5.098  -1.394  -2.577
    7    HA   THR   2           HA       THR   2   7.277  -1.989  -0.658
    8    HB   THR   2           HB       THR   2   7.926  -1.387  -3.530
    9    HG1  THR   2           HG1      THR   2   5.919  -2.457  -3.672
   10   1HG2  THR   2          1HG2      THR   2   9.538  -2.519  -1.859
   11   2HG2  THR   2          2HG2      THR   2   9.239  -3.469  -3.302
   12   3HG2  THR   2          3HG2      THR   2   8.423  -3.876  -1.801
   13    H    CYS   3           H        CYS   3   9.340  -0.746  -1.146
   14    HA   CYS   3           HA       CYS   3   8.928   2.032  -0.578
   15   1HB   CYS   3          2HB       CYS   3  11.429   0.713  -0.780
   16   2HB   CYS   3          1HB       CYS   3  10.844   1.877   0.368
   17    H    ARG   4           H        ARG   4  10.698   3.484  -1.430
   18    HA   ARG   4           HA       ARG   4  10.425   3.871  -4.175
   19   1HB   ARG   4          2HB       ARG   4  11.789   4.955  -1.903
   20   2HB   ARG   4          1HB       ARG   4  12.312   5.540  -3.422
   21   1HG   ARG   4          2HG       ARG   4   9.703   5.905  -3.834
   22   2HG   ARG   4          1HG       ARG   4   9.573   5.662  -2.106
   23   1HD   ARG   4          2HD       ARG   4   9.723   8.078  -2.524
   24   2HD   ARG   4          1HD       ARG   4  11.211   7.556  -1.742
   25    HE   ARG   4           HE       ARG   4  12.371   8.143  -3.675
   26   1HH1  ARG   4          1HH2      ARG   4   9.012   7.696  -4.419
   27   2HH1  ARG   4          2HH2      ARG   4   9.190   8.222  -6.058
   28   1HH2  ARG   4          2HH1      ARG   4  12.616   8.813  -5.741
   29   2HH2  ARG   4          1HH1      ARG   4  11.259   8.868  -6.819
   30    HA   PRO   5           HA       PRO   5  13.880   1.718  -5.820
   31   1HB   PRO   5          2HB       PRO   5  15.045   3.701  -7.522
   32   2HB   PRO   5          1HB       PRO   5  13.816   2.533  -7.980
   33   1HG   PRO   5          2HG       PRO   5  13.502   5.410  -7.470
   34   2HG   PRO   5          1HG       PRO   5  12.362   4.298  -8.214
   35   1HD   PRO   5          2HD       PRO   5  12.214   5.393  -5.567
   36   2HD   PRO   5          1HD       PRO   5  11.158   4.149  -6.258
   37    H    ASP   6           H        ASP   6  14.399   4.676  -4.498
   38    HA   ASP   6           HA       ASP   6  17.233   4.420  -3.997
   39   1HB   ASP   6          2HB       ASP   6  16.973   6.683  -3.066
   40   2HB   ASP   6          1HB       ASP   6  16.466   6.531  -4.738
   41    H    GLU   7           H        GLU   7  14.370   3.588  -2.467
   42    HA   GLU   7           HA       GLU   7  15.302   3.897   0.257
   43   1HB   GLU   7          2HB       GLU   7  12.745   3.317  -1.115
   44   2HB   GLU   7          1HB       GLU   7  12.940   2.437   0.384
   45   1HG   GLU   7          2HG       GLU   7  13.690   4.499   1.415
   46   2HG   GLU   7          1HG       GLU   7  13.223   5.389   0.028
   47    H    PHE   8           H        PHE   8  14.921   2.317   1.712
   48    HA   PHE   8           HA       PHE   8  15.780  -0.399   0.986
   49   1HB   PHE   8          2HB       PHE   8  17.473   0.909   2.109
   50   2HB   PHE   8          1HB       PHE   8  16.446   1.140   3.519
   51    HD1  PHE   8           HD1      PHE   8  16.201  -0.580   5.172
   52    HD2  PHE   8           HD2      PHE   8  18.205  -1.484   1.520
   53    HE1  PHE   8           HE1      PHE   8  16.915  -2.733   6.097
   54    HE2  PHE   8           HE2      PHE   8  18.916  -3.639   2.453
   55    HZ   PHE   8           HZ       PHE   8  18.273  -4.268   4.741
   56    H    GLN   9           H        GLN   9  14.758  -2.039   1.988
   57    HA   GLN   9           HA       GLN   9  12.370  -1.346   3.606
   58   1HB   GLN   9          2HB       GLN   9  12.191  -2.204   1.418
   59   2HB   GLN   9          1HB       GLN   9  12.918  -3.710   1.903
   60   1HG   GLN   9          2HG       GLN   9  10.996  -4.061   3.534
   61   2HG   GLN   9          1HG       GLN   9  10.342  -2.485   3.109
   62   1HE2  GLN   9          1HE2      GLN   9   9.107  -2.309   1.167
   63   2HE2  GLN   9          2HE2      GLN   9   8.727  -3.648   0.198
   64    H    CYS  10           H        CYS  10  11.917  -2.256   5.358
   65    HA   CYS  10           HA       CYS  10  13.821  -3.622   6.927
   66   1HB   CYS  10          2HB       CYS  10  11.080  -2.607   7.317
   67   2HB   CYS  10          1HB       CYS  10  11.977  -3.346   8.522
   68    H    SER  11           H        SER  11  12.735  -5.280   8.411
   69    HA   SER  11           HA       SER  11  11.883  -7.497   6.758
   70   1HB   SER  11          2HB       SER  11  13.702  -7.714   8.538
   71   2HB   SER  11          1HB       SER  11  12.434  -7.504   9.751
   72    HG   SER  11           HG       SER  11  12.502  -9.448   7.687
   73    H    ASP  12           H        ASP  12  10.591  -5.197   9.067
   74    HA   ASP  12           HA       ASP  12   8.217  -6.681   9.595
   75   1HB   ASP  12          2HB       ASP  12   7.839  -4.799  11.050
   76   2HB   ASP  12          1HB       ASP  12   9.444  -5.453  11.270
   77    H    GLY  13           H        GLY  13   9.125  -5.458   6.910
   78   1HA   GLY  13          2HA       GLY  13   8.003  -4.872   5.011
   79   2HA   GLY  13          1HA       GLY  13   6.556  -4.736   5.972
   80    H    ASN  14           H        ASN  14   8.492  -2.750   7.628
   81    HA   ASN  14           HA       ASN  14   7.413  -0.372   6.428
   82   1HB   ASN  14          2HB       ASN  14   7.724  -0.543   8.825
   83   2HB   ASN  14          1HB       ASN  14   9.455  -0.767   8.608
   84   1HD2  ASN  14          1HD2      ASN  14  10.734   1.133   8.076
   85   2HD2  ASN  14          2HD2      ASN  14  10.098   2.700   8.188
   86    H    CYS  15           H        CYS  15   8.895   1.471   5.876
   87    HA   CYS  15           HA       CYS  15  11.377   0.555   4.470
   88   1HB   CYS  15          2HB       CYS  15   9.530   2.557   3.466
   89   2HB   CYS  15          1HB       CYS  15  10.936   1.922   2.663
   90    H    ILE  16           H        ILE  16  13.066   2.001   4.365
   91    HA   ILE  16           HA       ILE  16  12.879   4.600   5.699
   92    HB   ILE  16           HB       ILE  16  15.056   4.167   6.687
   93   1HG1  ILE  16          2HG1      ILE  16  14.892   1.234   5.728
   94   2HG1  ILE  16          1HG1      ILE  16  15.665   2.457   4.770
   95   1HG2  ILE  16          1HG2      ILE  16  14.498   2.399   8.327
   96   2HG2  ILE  16          2HG2      ILE  16  13.140   1.900   7.340
   97   3HG2  ILE  16          3HG2      ILE  16  13.155   3.502   8.078
   98   1HD1  ILE  16          1HD1      ILE  16  17.412   2.671   5.980
   99   2HD1  ILE  16          2HD1      ILE  16  16.994   1.065   6.569
  100   3HD1  ILE  16          3HD1      ILE  16  16.586   2.495   7.522
  101    H    HIS  17           H        HIS  17  14.683   5.989   4.903
  102    HA   HIS  17           HA       HIS  17  15.011   5.723   2.046
  103   1HB   HIS  17          2HB       HIS  17  14.884   7.844   3.260
  104   2HB   HIS  17          1HB       HIS  17  16.492   7.429   3.838
  105    HD1  HIS  17           HD1      HIS  17  15.754   6.601   0.341
  106    HD2  HIS  17           HD2      HIS  17  17.550   9.671   2.348
  107    HE1  HIS  17           HE1      HIS  17  16.966   7.928  -1.348
  108    H    GLY  18           H        GLY  18  17.101   5.408   0.950
  109   1HA   GLY  18          2HA       GLY  18  18.581   3.297   1.824
  110   2HA   GLY  18          1HA       GLY  18  19.135   4.438   0.611
  111    H    SER  19           H        SER  19  18.747   6.532   2.879
  112    HA   SER  19           HA       SER  19  21.464   6.470   3.795
  113   1HB   SER  19          2HB       SER  19  20.965   8.845   4.516
  114   2HB   SER  19          1HB       SER  19  20.539   8.556   2.821
  115    HG   SER  19           HG       SER  19  18.889   8.684   5.087
  116    H    ARG  20           H        ARG  20  18.429   5.618   5.101
  117    HA   ARG  20           HA       ARG  20  19.041   6.114   7.854
  118   1HB   ARG  20          2HB       ARG  20  16.850   5.371   6.239
  119   2HB   ARG  20          1HB       ARG  20  16.824   4.750   7.856
  120   1HG   ARG  20          2HG       ARG  20  15.722   6.827   8.142
  121   2HG   ARG  20          1HG       ARG  20  17.370   7.311   8.476
  122   1HD   ARG  20          2HD       ARG  20  17.417   7.698   5.816
  123   2HD   ARG  20          1HD       ARG  20  15.679   7.833   6.028
  124    HE   ARG  20           HE       ARG  20  17.688   9.743   6.904
  125   1HH1  ARG  20          2HH1      ARG  20  14.533   8.448   7.538
  126   2HH1  ARG  20          1HH1      ARG  20  13.984   9.883   8.338
  127   1HH2  ARG  20          1HH2      ARG  20  17.016  11.562   7.912
  128   2HH2  ARG  20          2HH2      ARG  20  15.411  11.676   8.554
  129    H    GLN  21           H        GLN  21  19.708   3.751   5.662
  130    HA   GLN  21           HA       GLN  21  19.644   1.514   7.490
  131   1HB   GLN  21          2HB       GLN  21  18.900   1.431   5.072
  132   2HB   GLN  21          1HB       GLN  21  20.566   1.675   4.639
  133   1HG   GLN  21          2HG       GLN  21  20.862  -0.475   6.347
  134   2HG   GLN  21          1HG       GLN  21  19.211  -0.756   5.843
  135   1HE2  GLN  21          1HE2      GLN  21  19.982   0.507   3.076
  136   2HE2  GLN  21          2HE2      GLN  21  20.786  -0.768   2.297
  137    H    CYS  22           H        CYS  22  21.388   0.666   8.447
  138    HA   CYS  22           HA       CYS  22  23.569   0.363   9.213
  139   1HB   CYS  22          2HB       CYS  22  24.625   1.397   6.695
  140   2HB   CYS  22          1HB       CYS  22  25.240   0.101   7.657
  141    H    ASP  23           H        ASP  23  22.681   2.372  10.256
  142    HA   ASP  23           HA       ASP  23  24.963   4.216  10.624
  143   1HB   ASP  23          2HB       ASP  23  23.094   6.142  10.668
  144   2HB   ASP  23          1HB       ASP  23  23.810   5.660   9.146
  145    H    ARG  24           H        ARG  24  22.805   2.182  11.662
  146    HA   ARG  24           HA       ARG  24  21.802   1.504  13.509
  147   1HB   ARG  24          2HB       ARG  24  23.098   1.509  15.371
  148   2HB   ARG  24          1HB       ARG  24  24.232   1.566  14.057
  149   1HG   ARG  24          2HG       ARG  24  25.046   3.676  14.601
  150   2HG   ARG  24          1HG       ARG  24  23.528   4.246  15.263
  151   1HD   ARG  24          2HD       ARG  24  25.278   2.176  16.645
  152   2HD   ARG  24          1HD       ARG  24  25.313   3.902  17.001
  153    HE   ARG  24           HE       ARG  24  22.614   3.092  17.162
  154   1HH1  ARG  24          1HH2      ARG  24  25.637   2.470  18.739
  155   2HH1  ARG  24          2HH2      ARG  24  24.896   2.109  20.262
  156   1HH2  ARG  24          2HH1      ARG  24  21.657   2.647  19.074
  157   2HH2  ARG  24          1HH1      ARG  24  22.606   2.212  20.459
  158    H    GLU  25           H        GLU  25  20.909   3.956  12.465
  159    HA   GLU  25           HA       GLU  25  19.868   5.447  14.833
  160   1HB   GLU  25          2HB       GLU  25  19.303   5.950  11.885
  161   2HB   GLU  25          1HB       GLU  25  18.968   7.056  13.207
  162   1HG   GLU  25          2HG       GLU  25  21.384   7.391  13.590
  163   2HG   GLU  25          1HG       GLU  25  21.761   6.198  12.359
  164    H    TYR  26           H        TYR  26  19.233   3.031  14.634
  165    HA   TYR  26           HA       TYR  26  17.434   1.481  13.816
  166   1HB   TYR  26          2HB       TYR  26  17.953   1.005  15.977
  167   2HB   TYR  26          1HB       TYR  26  17.753   2.639  16.540
  168    HD1  TYR  26           HD1      TYR  26  15.858   3.250  17.797
  169    HD2  TYR  26           HD2      TYR  26  15.777  -0.378  15.582
  170    HE1  TYR  26           HE1      TYR  26  13.748   2.642  18.879
  171    HE2  TYR  26           HE2      TYR  26  13.670  -0.983  16.667
  172    HH   TYR  26           HH       TYR  26  12.102  -0.415  18.115
  173    H    ASP  27           H        ASP  27  16.216   2.576  12.092
  174    HA   ASP  27           HA       ASP  27  14.250   4.433  12.685
  175   1HB   ASP  27          2HB       ASP  27  15.051   2.867  10.262
  176   2HB   ASP  27          1HB       ASP  27  13.757   4.020  10.234
  177    H    CYS  28           H        CYS  28  14.240   1.175  11.824
  178    HA   CYS  28           HA       CYS  28  11.306   0.889  12.056
  179   1HB   CYS  28          2HB       CYS  28  13.550  -0.805  11.035
  180   2HB   CYS  28          1HB       CYS  28  12.155  -1.629  11.623
  181    H    LYS  29           H        LYS  29  10.319   0.053  13.740
  182    HA   LYS  29           HA       LYS  29  11.471  -0.076  16.251
  183   1HB   LYS  29          2HB       LYS  29   8.905  -1.482  15.412
  184   2HB   LYS  29          1HB       LYS  29   9.310  -0.940  17.025
  185   1HG   LYS  29          2HG       LYS  29   8.045   0.886  16.417
  186   2HG   LYS  29          1HG       LYS  29   9.575   1.444  15.787
  187   1HD   LYS  29          2HD       LYS  29   8.389  -0.186  13.716
  188   2HD   LYS  29          1HD       LYS  29   7.103   0.815  14.351
  189   1HE   LYS  29          2HE       LYS  29   9.797   1.995  13.564
  190   2HE   LYS  29          1HE       LYS  29   8.481   1.815  12.418
  191   1HZ   LYS  29          1HZ       LYS  29   8.321   3.290  14.979
  192   2HZ   LYS  29          2HZ       LYS  29   7.087   3.157  13.818
  193   3HZ   LYS  29          3HZ       LYS  29   8.519   3.993  13.443
  194    H    ASP  30           H        ASP  30  11.232  -2.384  13.889
  195    HA   ASP  30           HA       ASP  30  11.788  -4.703  15.505
  196   1HB   ASP  30          2HB       ASP  30  10.183  -5.083  13.986
  197   2HB   ASP  30          1HB       ASP  30  11.017  -4.112  12.806
  198    H    MET  31           H        MET  31  13.618  -2.330  14.597
  199    HA   MET  31           HA       MET  31  15.820  -1.850  14.074
  200   1HB   MET  31          2HB       MET  31  16.590  -4.587  15.080
  201   2HB   MET  31          1HB       MET  31  17.382  -3.044  15.350
  202   1HG   MET  31          2HG       MET  31  15.186  -2.460  16.668
  203   2HG   MET  31          1HG       MET  31  14.930  -4.178  16.680
  204   1HE   MET  31          1HE       MET  31  17.474  -1.367  17.580
  205   2HE   MET  31          2HE       MET  31  17.661  -1.715  19.286
  206   3HE   MET  31          3HE       MET  31  16.070  -1.298  18.673
  207    H    SER  32           H        SER  32  14.227  -3.758  12.156
  208    HA   SER  32           HA       SER  32  16.308  -5.205  10.812
  209   1HB   SER  32          2HB       SER  32  14.421  -5.580   9.095
  210   2HB   SER  32          1HB       SER  32  14.080  -6.112  10.746
  211    HG   SER  32           HG       SER  32  12.426  -4.752   9.917
  212    H    ASP  33           H        ASP  33  15.769  -1.960  10.797
  213    HA   ASP  33           HA       ASP  33  16.247  -1.513   7.957
  214   1HB   ASP  33          2HB       ASP  33  15.955   0.711   8.492
  215   2HB   ASP  33          1HB       ASP  33  14.782  -0.147   9.436
  216    H    GLU  34           H        GLU  34  17.860  -2.240  10.788
  217    HA   GLU  34           HA       GLU  34  20.447  -1.198   9.898
  218   1HB   GLU  34          2HB       GLU  34  19.023  -1.607  12.492
  219   2HB   GLU  34          1HB       GLU  34  20.757  -1.645  12.482
  220   1HG   GLU  34          2HG       GLU  34  18.913   0.627  11.608
  221   2HG   GLU  34          1HG       GLU  34  19.994   0.694  12.965
  222    H    VAL  35           H        VAL  35  19.049  -3.572   9.075
  223    HA   VAL  35           HA       VAL  35  20.944  -5.595   9.838
  224    HB   VAL  35           HB       VAL  35  18.398  -5.519  10.458
  225   1HG1  VAL  35          1HG1      VAL  35  17.085  -7.002   9.142
  226   2HG1  VAL  35          2HG1      VAL  35  18.486  -7.486   8.183
  227   3HG1  VAL  35          3HG1      VAL  35  17.822  -5.863   8.012
  228   1HG2  VAL  35          1HG2      VAL  35  20.036  -7.038  11.464
  229   2HG2  VAL  35          2HG2      VAL  35  20.055  -8.030  10.015
  230   3HG2  VAL  35          3HG2      VAL  35  18.611  -7.955  11.013
  231    H    GLY  36           H        GLY  36  20.906  -7.319   8.322
  232   1HA   GLY  36          2HA       GLY  36  21.409  -8.281   6.304
  233   2HA   GLY  36          1HA       GLY  36  20.291  -7.105   5.611
  234    H    CYS  37           H        CYS  37  22.483  -5.471   7.239
  235    HA   CYS  37           HA       CYS  37  23.832  -4.391   5.013
  236   1HB   CYS  37          2HB       CYS  37  23.144  -3.297   7.108
  237   2HB   CYS  37          1HB       CYS  37  24.673  -3.909   7.701
  238    H    VAL  38           H        VAL  38  25.132  -5.800   7.955
  239    HA   VAL  38           HA       VAL  38  27.264  -7.229   6.496
  240    HB   VAL  38           HB       VAL  38  27.625  -5.589   9.068
  241   1HG1  VAL  38          1HG1      VAL  38  29.322  -7.306   9.066
  242   2HG1  VAL  38          2HG1      VAL  38  30.143  -5.925   8.377
  243   3HG1  VAL  38          3HG1      VAL  38  29.547  -7.198   7.329
  244   1HG2  VAL  38          1HG2      VAL  38  27.314  -3.999   7.258
  245   2HG2  VAL  38          2HG2      VAL  38  28.391  -4.897   6.200
  246   3HG2  VAL  38          3HG2      VAL  38  29.030  -4.050   7.599
  247    H    ASN  39           H        ASN  39  25.038  -8.315   7.077
  248    HA   ASN  39           HA       ASN  39  24.000 -10.137   8.089
  249   1HB   ASN  39          2HB       ASN  39  26.651 -10.670   9.527
  250   2HB   ASN  39          1HB       ASN  39  25.416 -11.834   9.087
  251   1HD2  ASN  39          1HD2      ASN  39  25.152 -12.319   6.747
  252   2HD2  ASN  39          2HD2      ASN  39  26.452 -12.068   5.686
  Start of MODEL   17
    1    H    ALA   1           H        ALA   1   1.042   3.259  -2.281
    2    HA   ALA   1           HA       ALA   1   1.379   1.939  -0.083
    3   1HB   ALA   1          1HB       ALA   1   1.011  -0.285  -1.174
    4   2HB   ALA   1          2HB       ALA   1   1.482   0.405  -2.720
    5   3HB   ALA   1          3HB       ALA   1   0.024   0.963  -1.916
    6    H    THR   2           H        THR   2   3.668   1.323  -2.710
    7    HA   THR   2           HA       THR   2   5.558  -0.040  -0.880
    8    HB   THR   2           HB       THR   2   6.318   0.504  -3.759
    9    HG1  THR   2           HG1      THR   2   4.156  -1.086  -2.841
   10   1HG2  THR   2          1HG2      THR   2   6.786  -2.008  -3.605
   11   2HG2  THR   2          2HG2      THR   2   6.265  -1.969  -1.930
   12   3HG2  THR   2          3HG2      THR   2   7.703  -1.091  -2.427
   13    H    CYS   3           H        CYS   3   7.899   0.487  -1.414
   14    HA   CYS   3           HA       CYS   3   8.468   3.165  -0.582
   15   1HB   CYS   3          2HB       CYS   3  10.313   1.047  -1.046
   16   2HB   CYS   3          1HB       CYS   3  10.302   2.249   0.195
   17    H    ARG   4           H        ARG   4  10.611   3.981  -1.399
   18    HA   ARG   4           HA       ARG   4  10.417   4.690  -4.106
   19   1HB   ARG   4          2HB       ARG   4  12.013   5.186  -1.785
   20   2HB   ARG   4          1HB       ARG   4  12.663   5.737  -3.269
   21   1HG   ARG   4          2HG       ARG   4  10.143   6.743  -3.501
   22   2HG   ARG   4          1HG       ARG   4  10.165   6.543  -1.763
   23   1HD   ARG   4          2HD       ARG   4  11.882   8.368  -3.474
   24   2HD   ARG   4          1HD       ARG   4  10.898   8.800  -2.086
   25    HE   ARG   4           HE       ARG   4  13.637   7.910  -2.021
   26   1HH1  ARG   4          2HH1      ARG   4  10.646   7.788  -0.276
   27   2HH1  ARG   4          1HH1      ARG   4  11.423   7.566   1.255
   28   1HH2  ARG   4          1HH2      ARG   4  14.639   7.638  -0.095
   29   2HH2  ARG   4          2HH2      ARG   4  13.714   7.481   1.361
   30    HA   PRO   5           HA       PRO   5  13.217   1.786  -5.872
   31   1HB   PRO   5          2HB       PRO   5  14.759   3.472  -7.583
   32   2HB   PRO   5          1HB       PRO   5  13.266   2.650  -8.016
   33   1HG   PRO   5          2HG       PRO   5  13.688   5.506  -7.438
   34   2HG   PRO   5          1HG       PRO   5  12.290   4.735  -8.171
   35   1HD   PRO   5          2HD       PRO   5  12.497   5.745  -5.486
   36   2HD   PRO   5          1HD       PRO   5  11.138   4.841  -6.177
   37    H    ASP   6           H        ASP   6  14.384   4.549  -4.530
   38    HA   ASP   6           HA       ASP   6  17.101   3.689  -4.100
   39   1HB   ASP   6          2HB       ASP   6  17.415   5.921  -3.185
   40   2HB   ASP   6          1HB       ASP   6  16.668   5.971  -4.768
   41    H    GLU   7           H        GLU   7  14.175   3.289  -2.510
   42    HA   GLU   7           HA       GLU   7  15.248   3.433   0.173
   43   1HB   GLU   7          2HB       GLU   7  12.559   3.269  -1.087
   44   2HB   GLU   7          1HB       GLU   7  12.679   2.342   0.394
   45   1HG   GLU   7          2HG       GLU   7  13.795   4.234   1.409
   46   2HG   GLU   7          1HG       GLU   7  13.454   5.209   0.047
   47    H    PHE   8           H        PHE   8  15.057   2.023   1.623
   48    HA   PHE   8           HA       PHE   8  15.518  -0.780   0.890
   49   1HB   PHE   8          2HB       PHE   8  17.364   0.278   1.960
   50   2HB   PHE   8          1HB       PHE   8  16.400   0.739   3.366
   51    HD1  PHE   8           HD1      PHE   8  15.763  -0.894   5.038
   52    HD2  PHE   8           HD2      PHE   8  17.891  -2.159   1.567
   53    HE1  PHE   8           HE1      PHE   8  16.140  -3.076   6.068
   54    HE2  PHE   8           HE2      PHE   8  18.269  -4.349   2.609
   55    HZ   PHE   8           HZ       PHE   8  17.397  -4.813   4.862
   56    H    GLN   9           H        GLN   9  14.305  -2.298   1.670
   57    HA   GLN   9           HA       GLN   9  12.100  -1.602   3.527
   58   1HB   GLN   9          2HB       GLN   9  11.663  -2.183   1.356
   59   2HB   GLN   9          1HB       GLN   9  12.369  -3.780   1.516
   60   1HG   GLN   9          2HG       GLN   9  10.639  -4.413   3.195
   61   2HG   GLN   9          1HG       GLN   9  10.047  -2.758   3.276
   62   1HE2  GLN   9          1HE2      GLN   9   9.090  -1.882   1.191
   63   2HE2  GLN   9          2HE2      GLN   9   8.261  -2.963   0.176
   64    H    CYS  10           H        CYS  10  11.943  -2.437   5.318
   65    HA   CYS  10           HA       CYS  10  13.830  -4.186   6.479
   66   1HB   CYS  10          2HB       CYS  10  11.466  -2.683   7.333
   67   2HB   CYS  10          1HB       CYS  10  12.251  -3.730   8.388
   68    H    SER  11           H        SER  11  12.689  -5.545   8.218
   69    HA   SER  11           HA       SER  11  11.348  -7.720   6.864
   70   1HB   SER  11          2HB       SER  11  13.319  -8.115   8.439
   71   2HB   SER  11          1HB       SER  11  12.291  -7.570   9.773
   72    HG   SER  11           HG       SER  11  10.862  -9.200   9.320
   73    H    ASP  12           H        ASP  12  10.737  -5.125   9.155
   74    HA   ASP  12           HA       ASP  12   8.210  -6.137  10.003
   75   1HB   ASP  12          2HB       ASP  12   8.394  -4.504  11.590
   76   2HB   ASP  12          1HB       ASP  12  10.015  -5.050  11.311
   77    H    GLY  13           H        GLY  13   9.040  -5.145   7.191
   78   1HA   GLY  13          2HA       GLY  13   8.031  -4.245   5.376
   79   2HA   GLY  13          1HA       GLY  13   6.591  -4.105   6.351
   80    H    ASN  14           H        ASN  14   8.901  -2.393   7.986
   81    HA   ASN  14           HA       ASN  14   7.872   0.134   7.029
   82   1HB   ASN  14          2HB       ASN  14   8.097  -0.199   9.417
   83   2HB   ASN  14          1HB       ASN  14   9.810  -0.547   9.241
   84   1HD2  ASN  14          1HD2      ASN  14   7.500   2.081   8.375
   85   2HD2  ASN  14          2HD2      ASN  14   8.573   3.344   8.748
   86    H    CYS  15           H        CYS  15   8.866   1.183   5.345
   87    HA   CYS  15           HA       CYS  15  11.603   0.422   4.583
   88   1HB   CYS  15          2HB       CYS  15   9.452   1.791   3.336
   89   2HB   CYS  15          1HB       CYS  15  11.075   2.223   2.813
   90    H    ILE  16           H        ILE  16  13.323   1.812   4.395
   91    HA   ILE  16           HA       ILE  16  13.212   4.502   5.550
   92    HB   ILE  16           HB       ILE  16  15.398   4.071   6.523
   93   1HG1  ILE  16          2HG1      ILE  16  15.143   1.091   5.737
   94   2HG1  ILE  16          1HG1      ILE  16  15.920   2.218   4.675
   95   1HG2  ILE  16          1HG2      ILE  16  13.346   1.959   7.301
   96   2HG2  ILE  16          2HG2      ILE  16  13.551   3.559   8.010
   97   3HG2  ILE  16          3HG2      ILE  16  14.784   2.326   8.230
   98   1HD1  ILE  16          1HD1      ILE  16  16.929   2.408   7.400
   99   2HD1  ILE  16          2HD1      ILE  16  17.734   2.439   5.835
  100   3HD1  ILE  16          3HD1      ILE  16  17.250   0.899   6.538
  101    H    HIS  17           H        HIS  17  15.029   5.796   4.645
  102    HA   HIS  17           HA       HIS  17  15.283   5.422   1.800
  103   1HB   HIS  17          2HB       HIS  17  15.341   7.587   2.801
  104   2HB   HIS  17          1HB       HIS  17  16.808   7.084   3.617
  105    HD1  HIS  17           HD1      HIS  17  16.447   6.129   0.087
  106    HD2  HIS  17           HD2      HIS  17  18.257   9.128   2.180
  107    HE1  HIS  17           HE1      HIS  17  17.977   7.252  -1.488
  108    H    GLY  18           H        GLY  18  17.255   4.765   0.659
  109   1HA   GLY  18          2HA       GLY  18  18.612   2.650   1.737
  110   2HA   GLY  18          1HA       GLY  18  19.176   3.563   0.342
  111    H    SER  19           H        SER  19  19.091   5.999   2.224
  112    HA   SER  19           HA       SER  19  21.823   5.818   3.083
  113   1HB   SER  19          2HB       SER  19  20.792   7.793   1.761
  114   2HB   SER  19          1HB       SER  19  20.081   8.292   3.306
  115    HG   SER  19           HG       SER  19  22.128   8.289   4.207
  116    H    ARG  20           H        ARG  20  18.883   5.263   4.559
  117    HA   ARG  20           HA       ARG  20  19.468   6.306   7.159
  118   1HB   ARG  20          2HB       ARG  20  17.304   5.194   5.741
  119   2HB   ARG  20          1HB       ARG  20  17.317   4.855   7.433
  120   1HG   ARG  20          2HG       ARG  20  17.870   7.705   6.936
  121   2HG   ARG  20          1HG       ARG  20  16.430   7.224   6.057
  122   1HD   ARG  20          2HD       ARG  20  15.587   6.153   8.223
  123   2HD   ARG  20          1HD       ARG  20  16.923   6.958   9.049
  124    HE   ARG  20           HE       ARG  20  15.679   8.985   7.623
  125   1HH1  ARG  20          2HH1      ARG  20  14.711   6.598   9.941
  126   2HH1  ARG  20          1HH1      ARG  20  13.455   7.583  10.609
  127   1HH2  ARG  20          1HH2      ARG  20  14.091  10.255   8.449
  128   2HH2  ARG  20          2HH2      ARG  20  13.096   9.689   9.750
  129    H    GLN  21           H        GLN  21  19.949   3.474   5.458
  130    HA   GLN  21           HA       GLN  21  19.954   1.657   7.682
  131   1HB   GLN  21          2HB       GLN  21  19.401   1.006   5.374
  132   2HB   GLN  21          1HB       GLN  21  21.036   1.364   4.888
  133   1HG   GLN  21          2HG       GLN  21  21.831  -0.631   5.706
  134   2HG   GLN  21          1HG       GLN  21  21.000  -0.468   7.232
  135   1HE2  GLN  21          1HE2      GLN  21  19.596  -2.185   7.553
  136   2HE2  GLN  21          2HE2      GLN  21  18.690  -2.946   6.337
  137    H    CYS  22           H        CYS  22  21.641   0.911   8.818
  138    HA   CYS  22           HA       CYS  22  23.751   0.756   9.785
  139   1HB   CYS  22          2HB       CYS  22  25.091   1.841   7.429
  140   2HB   CYS  22          1HB       CYS  22  25.574   0.528   8.434
  141    H    ASP  23           H        ASP  23  22.632   2.666  10.721
  142    HA   ASP  23           HA       ASP  23  24.699   4.726  11.204
  143   1HB   ASP  23          2HB       ASP  23  23.133   6.588  10.877
  144   2HB   ASP  23          1HB       ASP  23  23.118   5.633   9.412
  145    H    ARG  24           H        ARG  24  22.532   2.515  12.089
  146    HA   ARG  24           HA       ARG  24  21.552   1.692  13.866
  147   1HB   ARG  24          2HB       ARG  24  22.775   1.645  15.754
  148   2HB   ARG  24          1HB       ARG  24  23.946   1.840  14.483
  149   1HG   ARG  24          2HG       ARG  24  24.660   3.924  15.214
  150   2HG   ARG  24          1HG       ARG  24  23.087   4.414  15.801
  151   1HD   ARG  24          2HD       ARG  24  24.634   4.082  17.702
  152   2HD   ARG  24          1HD       ARG  24  23.340   2.894  17.762
  153    HE   ARG  24           HE       ARG  24  24.911   1.205  17.363
  154   1HH1  ARG  24          2HH1      ARG  24  26.257   4.303  16.582
  155   2HH1  ARG  24          1HH1      ARG  24  27.849   3.671  16.332
  156   1HH2  ARG  24          1HH2      ARG  24  26.914   0.388  17.053
  157   2HH2  ARG  24          2HH2      ARG  24  28.228   1.421  16.602
  158    H    GLU  25           H        GLU  25  20.461   4.081  12.955
  159    HA   GLU  25           HA       GLU  25  19.312   5.323  15.414
  160   1HB   GLU  25          2HB       GLU  25  19.590   6.126  12.529
  161   2HB   GLU  25          1HB       GLU  25  18.117   6.685  13.276
  162   1HG   GLU  25          2HG       GLU  25  19.655   8.461  13.624
  163   2HG   GLU  25          1HG       GLU  25  19.549   7.647  15.175
  164    H    TYR  26           H        TYR  26  18.856   2.877  14.833
  165    HA   TYR  26           HA       TYR  26  17.180   1.274  13.987
  166   1HB   TYR  26          2HB       TYR  26  17.631   0.948  16.259
  167   2HB   TYR  26          1HB       TYR  26  16.925   2.468  16.740
  168    HD1  TYR  26           HD1      TYR  26  16.090  -0.963  15.576
  169    HD2  TYR  26           HD2      TYR  26  14.651   2.524  17.530
  170    HE1  TYR  26           HE1      TYR  26  14.065  -2.174  16.241
  171    HE2  TYR  26           HE2      TYR  26  12.630   1.319  18.194
  172    HH   TYR  26           HH       TYR  26  11.314  -0.671  17.362
  173    H    ASP  27           H        ASP  27  16.192   2.633  12.181
  174    HA   ASP  27           HA       ASP  27  14.048   4.287  12.624
  175   1HB   ASP  27          2HB       ASP  27  14.937   2.814  10.166
  176   2HB   ASP  27          1HB       ASP  27  13.949   4.250  10.192
  177    H    CYS  28           H        CYS  28  14.328   1.066  11.759
  178    HA   CYS  28           HA       CYS  28  11.424   0.625  11.453
  179   1HB   CYS  28          2HB       CYS  28  13.903  -0.983  10.959
  180   2HB   CYS  28          1HB       CYS  28  12.387  -1.789  11.104
  181    H    LYS  29           H        LYS  29  10.202  -0.616  12.768
  182    HA   LYS  29           HA       LYS  29  10.776  -0.620  15.500
  183   1HB   LYS  29          2HB       LYS  29   8.593  -2.032  13.925
  184   2HB   LYS  29          1HB       LYS  29   8.591  -1.885  15.666
  185   1HG   LYS  29          2HG       LYS  29   7.474   0.061  15.387
  186   2HG   LYS  29          1HG       LYS  29   9.001   0.765  14.933
  187   1HD   LYS  29          2HD       LYS  29   7.411  -0.636  12.766
  188   2HD   LYS  29          1HD       LYS  29   6.793   0.882  13.366
  189   1HE   LYS  29          2HE       LYS  29   9.494   1.492  12.951
  190   2HE   LYS  29          1HE       LYS  29   9.129   0.388  11.637
  191   1HZ   LYS  29          1HZ       LYS  29   7.492   2.752  12.303
  192   2HZ   LYS  29          2HZ       LYS  29   7.342   1.741  10.945
  193   3HZ   LYS  29          3HZ       LYS  29   8.715   2.724  11.123
  194    H    ASP  30           H        ASP  30  11.901  -2.700  13.261
  195    HA   ASP  30           HA       ASP  30  12.229  -4.915  15.124
  196   1HB   ASP  30          2HB       ASP  30  10.750  -5.380  13.358
  197   2HB   ASP  30          1HB       ASP  30  12.054  -4.955  12.252
  198    H    MET  31           H        MET  31  13.860  -2.455  14.024
  199    HA   MET  31           HA       MET  31  16.103  -1.891  13.679
  200   1HB   MET  31          2HB       MET  31  16.159  -3.425  15.847
  201   2HB   MET  31          1HB       MET  31  16.875  -4.625  14.795
  202   1HG   MET  31          2HG       MET  31  18.750  -3.238  14.308
  203   2HG   MET  31          1HG       MET  31  18.003  -1.819  14.980
  204   1HE   MET  31          1HE       MET  31  18.586  -1.976  18.666
  205   2HE   MET  31          2HE       MET  31  17.139  -2.050  17.683
  206   3HE   MET  31          3HE       MET  31  18.456  -0.926  17.267
  207    H    SER  32           H        SER  32  14.526  -3.805  11.829
  208    HA   SER  32           HA       SER  32  16.505  -5.333  10.449
  209   1HB   SER  32          2HB       SER  32  14.093  -5.959  10.390
  210   2HB   SER  32          1HB       SER  32  13.708  -4.429   9.602
  211    HG   SER  32           HG       SER  32  15.724  -6.024   8.501
  212    H    ASP  33           H        ASP  33  15.904  -2.073  10.567
  213    HA   ASP  33           HA       ASP  33  16.699  -1.428   7.844
  214   1HB   ASP  33          2HB       ASP  33  16.265   0.758   8.506
  215   2HB   ASP  33          1HB       ASP  33  15.008  -0.206   9.206
  216    H    GLU  34           H        GLU  34  18.036  -2.343  10.755
  217    HA   GLU  34           HA       GLU  34  20.656  -1.190  10.191
  218   1HB   GLU  34          2HB       GLU  34  19.001  -1.698  12.629
  219   2HB   GLU  34          1HB       GLU  34  20.719  -1.586  12.771
  220   1HG   GLU  34          2HG       GLU  34  18.658   0.524  12.062
  221   2HG   GLU  34          1HG       GLU  34  19.926   0.667  13.235
  222    H    VAL  35           H        VAL  35  19.305  -3.586   9.290
  223    HA   VAL  35           HA       VAL  35  21.174  -5.578  10.192
  224    HB   VAL  35           HB       VAL  35  18.592  -5.533  10.649
  225   1HG1  VAL  35          1HG1      VAL  35  18.124  -5.999   8.224
  226   2HG1  VAL  35          2HG1      VAL  35  17.440  -7.197   9.326
  227   3HG1  VAL  35          3HG1      VAL  35  18.923  -7.555   8.438
  228   1HG2  VAL  35          1HG2      VAL  35  20.348  -8.000  10.436
  229   2HG2  VAL  35          2HG2      VAL  35  18.835  -7.941  11.327
  230   3HG2  VAL  35          3HG2      VAL  35  20.190  -6.952  11.837
  231    H    GLY  36           H        GLY  36  21.456  -7.208   8.804
  232   1HA   GLY  36          2HA       GLY  36  22.329  -8.141   6.871
  233   2HA   GLY  36          1HA       GLY  36  20.910  -7.428   6.107
  234    H    CYS  37           H        CYS  37  22.764  -5.234   7.608
  235    HA   CYS  37           HA       CYS  37  23.428  -3.640   5.457
  236   1HB   CYS  37          2HB       CYS  37  23.213  -2.719   7.520
  237   2HB   CYS  37          1HB       CYS  37  24.465  -3.752   8.138
  238    H    VAL  38           H        VAL  38  25.857  -5.045   7.566
  239    HA   VAL  38           HA       VAL  38  27.764  -5.274   5.331
  240    HB   VAL  38           HB       VAL  38  28.349  -4.010   7.473
  241   1HG1  VAL  38          1HG1      VAL  38  28.595  -6.659   8.924
  242   2HG1  VAL  38          2HG1      VAL  38  27.087  -5.762   8.957
  243   3HG1  VAL  38          3HG1      VAL  38  28.554  -5.034   9.579
  244   1HG2  VAL  38          1HG2      VAL  38  30.602  -4.762   7.624
  245   2HG2  VAL  38          2HG2      VAL  38  30.106  -5.143   5.986
  246   3HG2  VAL  38          3HG2      VAL  38  30.188  -6.412   7.197
  247    H    ASN  39           H        ASN  39  25.742  -6.887   5.272
  248    HA   ASN  39           HA       ASN  39  26.805  -9.615   5.934
  249   1HB   ASN  39          2HB       ASN  39  24.556  -8.729   7.004
  250   2HB   ASN  39          1HB       ASN  39  23.870  -9.054   5.419
  251   1HD2  ASN  39          1HD2      ASN  39  25.278 -10.536   8.289
  252   2HD2  ASN  39          2HD2      ASN  39  24.877 -12.136   7.886
  Start of MODEL   18
    1    H    ALA   1           H        ALA   1   2.068  -0.245  -2.854
    2    HA   ALA   1           HA       ALA   1   2.177   2.146  -1.131
    3   1HB   ALA   1          1HB       ALA   1   1.491   0.888   0.884
    4   2HB   ALA   1          2HB       ALA   1   1.321  -0.583  -0.062
    5   3HB   ALA   1          3HB       ALA   1   0.229   0.766  -0.328
    6    H    THR   2           H        THR   2   4.031   0.703  -2.839
    7    HA   THR   2           HA       THR   2   5.967  -0.590  -1.008
    8    HB   THR   2           HB       THR   2   6.720  -0.049  -3.875
    9    HG1  THR   2           HG1      THR   2   4.480  -0.515  -3.969
   10   1HG2  THR   2          1HG2      THR   2   7.266  -2.512  -3.752
   11   2HG2  THR   2          2HG2      THR   2   6.603  -2.575  -2.127
   12   3HG2  THR   2          3HG2      THR   2   8.058  -1.645  -2.449
   13    H    CYS   3           H        CYS   3   8.295   0.008  -1.511
   14    HA   CYS   3           HA       CYS   3   8.753   2.729  -0.762
   15   1HB   CYS   3          2HB       CYS   3  10.690   0.682  -1.148
   16   2HB   CYS   3          1HB       CYS   3  10.624   1.934   0.037
   17    H    ARG   4           H        ARG   4  10.847   3.626  -1.587
   18    HA   ARG   4           HA       ARG   4  10.683   4.126  -4.354
   19   1HB   ARG   4          2HB       ARG   4  12.057   5.002  -2.009
   20   2HB   ARG   4          1HB       ARG   4  12.781   5.453  -3.492
   21   1HG   ARG   4          2HG       ARG   4   9.977   5.995  -3.769
   22   2HG   ARG   4          1HG       ARG   4  10.362   6.419  -2.118
   23   1HD   ARG   4          2HD       ARG   4  11.946   7.452  -4.515
   24   2HD   ARG   4          1HD       ARG   4  10.623   8.344  -3.767
   25    HE   ARG   4           HE       ARG   4  12.301   7.715  -1.646
   26   1HH1  ARG   4          1HH2      ARG   4  12.624   9.338  -4.692
   27   2HH1  ARG   4          2HH2      ARG   4  13.872  10.394  -4.124
   28   1HH2  ARG   4          2HH1      ARG   4  13.876   9.046  -0.912
   29   2HH2  ARG   4          1HH1      ARG   4  14.599  10.223  -1.956
   30    HA   PRO   5           HA       PRO   5  13.896   1.458  -5.752
   31   1HB   PRO   5          2HB       PRO   5  15.324   3.187  -7.517
   32   2HB   PRO   5          1HB       PRO   5  13.952   2.177  -7.949
   33   1HG   PRO   5          2HG       PRO   5  14.028   5.097  -7.566
   34   2HG   PRO   5          1HG       PRO   5  12.765   4.122  -8.302
   35   1HD   PRO   5          2HD       PRO   5  12.719   5.327  -5.692
   36   2HD   PRO   5          1HD       PRO   5  11.505   4.232  -6.378
   37    H    ASP   6           H        ASP   6  14.658   4.415  -4.546
   38    HA   ASP   6           HA       ASP   6  17.437   3.946  -3.934
   39   1HB   ASP   6          2HB       ASP   6  17.327   6.234  -3.029
   40   2HB   ASP   6          1HB       ASP   6  16.850   6.109  -4.713
   41    H    GLU   7           H        GLU   7  14.471   3.295  -2.454
   42    HA   GLU   7           HA       GLU   7  15.403   3.626   0.263
   43   1HB   GLU   7          2HB       GLU   7  12.820   3.206  -1.138
   44   2HB   GLU   7          1HB       GLU   7  12.922   2.317   0.368
   45   1HG   GLU   7          2HG       GLU   7  13.800   4.325   1.408
   46   2HG   GLU   7          1HG       GLU   7  13.470   5.247  -0.001
   47    H    PHE   8           H        PHE   8  15.100   2.170   1.756
   48    HA   PHE   8           HA       PHE   8  15.808  -0.612   1.121
   49   1HB   PHE   8          2HB       PHE   8  17.566   0.685   2.145
   50   2HB   PHE   8          1HB       PHE   8  16.589   0.988   3.587
   51    HD1  PHE   8           HD1      PHE   8  18.148  -1.738   1.549
   52    HD2  PHE   8           HD2      PHE   8  16.457  -0.667   5.313
   53    HE1  PHE   8           HE1      PHE   8  18.862  -3.889   2.487
   54    HE2  PHE   8           HE2      PHE   8  17.176  -2.817   6.241
   55    HZ   PHE   8           HZ       PHE   8  18.377  -4.434   4.834
   56    H    GLN   9           H        GLN   9  14.743  -2.187   2.150
   57    HA   GLN   9           HA       GLN   9  12.460  -1.397   3.869
   58   1HB   GLN   9          2HB       GLN   9  12.136  -2.225   1.679
   59   2HB   GLN   9          1HB       GLN   9  12.824  -3.764   2.126
   60   1HG   GLN   9          2HG       GLN   9  10.988  -4.070   3.846
   61   2HG   GLN   9          1HG       GLN   9  10.363  -2.470   3.486
   62   1HE2  GLN   9          1HE2      GLN   9   9.995  -2.266   0.875
   63   2HE2  GLN   9          2HE2      GLN   9   9.105  -3.555   0.223
   64    H    CYS  10           H        CYS  10  11.919  -2.372   5.594
   65    HA   CYS  10           HA       CYS  10  13.786  -3.801   7.157
   66   1HB   CYS  10          2HB       CYS  10  11.052  -2.782   7.539
   67   2HB   CYS  10          1HB       CYS  10  11.989  -3.458   8.764
   68    H    SER  11           H        SER  11  12.535  -5.368   8.646
   69    HA   SER  11           HA       SER  11  11.751  -7.643   7.034
   70   1HB   SER  11          2HB       SER  11  13.428  -7.852   8.955
   71   2HB   SER  11          1HB       SER  11  12.094  -7.501  10.068
   72    HG   SER  11           HG       SER  11  12.170  -9.566   8.126
   73    H    ASP  12           H        ASP  12  10.480  -5.285   9.297
   74    HA   ASP  12           HA       ASP  12   7.959  -6.530   9.686
   75   1HB   ASP  12          2HB       ASP  12   7.673  -4.509  11.020
   76   2HB   ASP  12          1HB       ASP  12   9.138  -5.392  11.416
   77    H    GLY  13           H        GLY  13   9.185  -5.302   7.044
   78   1HA   GLY  13          2HA       GLY  13   8.269  -4.671   5.065
   79   2HA   GLY  13          1HA       GLY  13   6.733  -4.559   5.871
   80    H    ASN  14           H        ASN  14   8.623  -2.541   7.667
   81    HA   ASN  14           HA       ASN  14   7.590  -0.215   6.285
   82   1HB   ASN  14          2HB       ASN  14   7.488  -0.291   8.709
   83   2HB   ASN  14          1HB       ASN  14   9.236  -0.474   8.793
   84   1HD2  ASN  14          1HD2      ASN  14  10.571   1.404   8.155
   85   2HD2  ASN  14          2HD2      ASN  14   9.910   2.968   8.163
   86    H    CYS  15           H        CYS  15   8.886   1.359   5.224
   87    HA   CYS  15           HA       CYS  15  11.683   0.476   4.668
   88   1HB   CYS  15          2HB       CYS  15   9.674   1.734   3.099
   89   2HB   CYS  15          1HB       CYS  15  11.342   2.187   2.784
   90    H    ILE  16           H        ILE  16  13.307   1.973   4.439
   91    HA   ILE  16           HA       ILE  16  13.087   4.657   5.589
   92    HB   ILE  16           HB       ILE  16  15.273   4.288   6.594
   93   1HG1  ILE  16          2HG1      ILE  16  15.066   1.295   5.814
   94   2HG1  ILE  16          1HG1      ILE  16  15.911   2.457   4.841
   95   1HG2  ILE  16          1HG2      ILE  16  14.693   2.675   8.369
   96   2HG2  ILE  16          2HG2      ILE  16  13.313   2.131   7.435
   97   3HG2  ILE  16          3HG2      ILE  16  13.377   3.789   8.037
   98   1HD1  ILE  16          1HD1      ILE  16  17.152   1.108   6.717
   99   2HD1  ILE  16          2HD1      ILE  16  16.716   2.546   7.647
  100   3HD1  ILE  16          3HD1      ILE  16  17.592   2.709   6.136
  101    H    HIS  17           H        HIS  17  14.907   5.995   4.716
  102    HA   HIS  17           HA       HIS  17  15.228   5.570   1.888
  103   1HB   HIS  17          2HB       HIS  17  15.205   7.732   3.059
  104   2HB   HIS  17          1HB       HIS  17  16.843   7.293   3.537
  105    HD1  HIS  17           HD1      HIS  17  18.602   7.565   1.663
  106    HD2  HIS  17           HD2      HIS  17  14.809   7.963   0.219
  107    HE1  HIS  17           HE1      HIS  17  18.828   8.298  -0.682
  108    H    GLY  18           H        GLY  18  17.271   5.138   0.780
  109   1HA   GLY  18          2HA       GLY  18  18.716   3.024   1.721
  110   2HA   GLY  18          1HA       GLY  18  19.265   4.083   0.431
  111    H    SER  19           H        SER  19  19.007   6.337   2.474
  112    HA   SER  19           HA       SER  19  21.715   6.274   3.413
  113   1HB   SER  19          2HB       SER  19  21.307   8.728   3.855
  114   2HB   SER  19          1HB       SER  19  20.842   8.272   2.208
  115    HG   SER  19           HG       SER  19  19.115   8.293   4.460
  116    H    ARG  20           H        ARG  20  18.640   5.688   4.724
  117    HA   ARG  20           HA       ARG  20  19.199   6.428   7.435
  118   1HB   ARG  20          2HB       ARG  20  17.028   5.599   5.834
  119   2HB   ARG  20          1HB       ARG  20  16.950   5.128   7.502
  120   1HG   ARG  20          2HG       ARG  20  17.404   7.654   8.004
  121   2HG   ARG  20          1HG       ARG  20  17.099   7.923   6.293
  122   1HD   ARG  20          2HD       ARG  20  14.823   7.125   6.481
  123   2HD   ARG  20          1HD       ARG  20  15.129   6.428   8.072
  124    HE   ARG  20           HE       ARG  20  15.580   9.294   8.031
  125   1HH1  ARG  20          1HH2      ARG  20  13.196   6.787   8.241
  126   2HH1  ARG  20          2HH2      ARG  20  12.065   7.774   9.103
  127   1HH2  ARG  20          2HH1      ARG  20  14.149  10.568   9.128
  128   2HH2  ARG  20          1HH1      ARG  20  12.610   9.937   9.613
  129    H    GLN  21           H        GLN  21  19.850   3.847   5.500
  130    HA   GLN  21           HA       GLN  21  19.648   1.791   7.524
  131   1HB   GLN  21          2HB       GLN  21  18.990   1.513   5.079
  132   2HB   GLN  21          1HB       GLN  21  20.681   1.657   4.702
  133   1HG   GLN  21          2HG       GLN  21  20.879  -0.349   6.548
  134   2HG   GLN  21          1HG       GLN  21  19.195  -0.581   6.134
  135   1HE2  GLN  21          1HE2      GLN  21  21.046  -2.598   5.608
  136   2HE2  GLN  21          2HE2      GLN  21  21.257  -2.750   3.932
  137    H    CYS  22           H        CYS  22  21.372   0.867   8.503
  138    HA   CYS  22           HA       CYS  22  23.545   0.548   9.300
  139   1HB   CYS  22          2HB       CYS  22  24.742   1.709   6.908
  140   2HB   CYS  22          1HB       CYS  22  25.230   0.310   7.793
  141    H    ASP  23           H        ASP  23  22.572   2.529  10.393
  142    HA   ASP  23           HA       ASP  23  24.837   4.358  10.915
  143   1HB   ASP  23          2HB       ASP  23  22.962   6.286  10.944
  144   2HB   ASP  23          1HB       ASP  23  23.750   5.857   9.443
  145    H    ARG  24           H        ARG  24  22.729   2.250  11.803
  146    HA   ARG  24           HA       ARG  24  21.649   1.486  13.575
  147   1HB   ARG  24          2HB       ARG  24  22.867   1.466  15.500
  148   2HB   ARG  24          1HB       ARG  24  24.026   1.498  14.204
  149   1HG   ARG  24          2HG       ARG  24  24.764   3.698  14.690
  150   2HG   ARG  24          1HG       ARG  24  23.330   4.108  15.618
  151   1HD   ARG  24          2HD       ARG  24  24.021   2.683  17.454
  152   2HD   ARG  24          1HD       ARG  24  25.305   1.960  16.483
  153    HE   ARG  24           HE       ARG  24  25.651   4.811  16.636
  154   1HH1  ARG  24          2HH1      ARG  24  25.965   1.873  18.449
  155   2HH1  ARG  24          1HH1      ARG  24  27.230   2.495  19.455
  156   1HH2  ARG  24          1HH2      ARG  24  27.253   5.619  17.902
  157   2HH2  ARG  24          2HH2      ARG  24  27.970   4.645  19.141
  158    H    GLU  25           H        GLU  25  20.701   3.908  12.582
  159    HA   GLU  25           HA       GLU  25  19.628   5.346  14.967
  160   1HB   GLU  25          2HB       GLU  25  19.064   5.907  12.021
  161   2HB   GLU  25          1HB       GLU  25  18.682   6.959  13.372
  162   1HG   GLU  25          2HG       GLU  25  21.080   7.329  13.817
  163   2HG   GLU  25          1HG       GLU  25  21.500   6.211  12.532
  164    H    TYR  26           H        TYR  26  19.037   2.923  14.706
  165    HA   TYR  26           HA       TYR  26  17.235   1.346  13.912
  166   1HB   TYR  26          2HB       TYR  26  17.932   0.988  16.103
  167   2HB   TYR  26          1HB       TYR  26  17.383   2.542  16.673
  168    HD1  TYR  26           HD1      TYR  26  15.225   2.780  17.693
  169    HD2  TYR  26           HD2      TYR  26  16.251  -0.864  15.758
  170    HE1  TYR  26           HE1      TYR  26  13.271   1.701  18.693
  171    HE2  TYR  26           HE2      TYR  26  14.295  -1.948  16.759
  172    HH   TYR  26           HH       TYR  26  12.701  -1.746  18.377
  173    H    ASP  27           H        ASP  27  16.055   2.618  12.222
  174    HA   ASP  27           HA       ASP  27  14.040   4.383  12.850
  175   1HB   ASP  27          2HB       ASP  27  14.659   2.756  10.397
  176   2HB   ASP  27          1HB       ASP  27  13.546   4.086  10.429
  177    H    CYS  28           H        CYS  28  14.106   1.163  11.923
  178    HA   CYS  28           HA       CYS  28  11.198   0.735  12.228
  179   1HB   CYS  28          2HB       CYS  28  13.492  -0.805  11.090
  180   2HB   CYS  28          1HB       CYS  28  12.157  -1.720  11.681
  181    H    LYS  29           H        LYS  29  10.270  -0.390  13.820
  182    HA   LYS  29           HA       LYS  29  11.525  -0.542  16.298
  183   1HB   LYS  29          2HB       LYS  29   8.876  -1.327  15.151
  184   2HB   LYS  29          1HB       LYS  29   9.293  -2.108  16.660
  185   1HG   LYS  29          2HG       LYS  29   8.079  -0.080  17.178
  186   2HG   LYS  29          1HG       LYS  29   9.735   0.132  17.697
  187   1HD   LYS  29          2HD       LYS  29   9.108   1.034  14.886
  188   2HD   LYS  29          1HD       LYS  29   8.347   1.949  16.167
  189   1HE   LYS  29          2HE       LYS  29  10.720   2.114  17.238
  190   2HE   LYS  29          1HE       LYS  29  11.322   1.584  15.675
  191   1HZ   LYS  29          1HZ       LYS  29   9.885   3.444  14.750
  192   2HZ   LYS  29          2HZ       LYS  29  11.334   3.858  15.532
  193   3HZ   LYS  29          3HZ       LYS  29   9.851   4.036  16.342
  194    H    ASP  30           H        ASP  30  11.467  -2.669  13.777
  195    HA   ASP  30           HA       ASP  30  12.120  -5.063  15.249
  196   1HB   ASP  30          2HB       ASP  30  10.629  -4.804  13.230
  197   2HB   ASP  30          1HB       ASP  30  12.192  -4.911  12.406
  198    H    MET  31           H        MET  31  13.741  -2.490  14.336
  199    HA   MET  31           HA       MET  31  15.948  -1.863  13.888
  200   1HB   MET  31          2HB       MET  31  16.106  -3.382  16.034
  201   2HB   MET  31          1HB       MET  31  16.763  -4.602  14.966
  202   1HG   MET  31          2HG       MET  31  18.005  -1.908  14.723
  203   2HG   MET  31          1HG       MET  31  18.246  -2.701  16.249
  204   1HE   MET  31          1HE       MET  31  18.946  -5.392  16.213
  205   2HE   MET  31          2HE       MET  31  20.156  -4.205  16.754
  206   3HE   MET  31          3HE       MET  31  20.604  -5.504  15.660
  207    H    SER  32           H        SER  32  14.373  -3.741  12.037
  208    HA   SER  32           HA       SER  32  16.335  -5.233  10.587
  209   1HB   SER  32          2HB       SER  32  13.472  -4.425   9.969
  210   2HB   SER  32          1HB       SER  32  14.415  -5.558   8.971
  211    HG   SER  32           HG       SER  32  13.127  -6.120  11.146
  212    H    ASP  33           H        ASP  33  15.738  -1.975  10.703
  213    HA   ASP  33           HA       ASP  33  16.356  -1.380   7.919
  214   1HB   ASP  33          2HB       ASP  33  15.953   0.815   8.565
  215   2HB   ASP  33          1HB       ASP  33  14.746  -0.147   9.356
  216    H    GLU  34           H        GLU  34  17.883  -2.267  10.741
  217    HA   GLU  34           HA       GLU  34  20.458  -1.116   9.992
  218   1HB   GLU  34          2HB       GLU  34  18.946  -1.546  12.533
  219   2HB   GLU  34          1HB       GLU  34  20.677  -1.522  12.578
  220   1HG   GLU  34          2HG       GLU  34  18.750   0.673  11.701
  221   2HG   GLU  34          1HG       GLU  34  19.854   0.790  13.032
  222    H    VAL  35           H        VAL  35  19.089  -3.491   9.154
  223    HA   VAL  35           HA       VAL  35  21.026  -5.479   9.890
  224    HB   VAL  35           HB       VAL  35  18.472  -5.409  10.600
  225   1HG1  VAL  35          1HG1      VAL  35  18.683  -7.588   8.524
  226   2HG1  VAL  35          2HG1      VAL  35  17.795  -6.082   8.288
  227   3HG1  VAL  35          3HG1      VAL  35  17.278  -7.227   9.526
  228   1HG2  VAL  35          1HG2      VAL  35  20.189  -6.666  11.779
  229   2HG2  VAL  35          2HG2      VAL  35  20.302  -7.823  10.460
  230   3HG2  VAL  35          3HG2      VAL  35  18.849  -7.750  11.447
  231    H    GLY  36           H        GLY  36  21.012  -7.186   8.422
  232   1HA   GLY  36          2HA       GLY  36  21.507  -8.120   6.368
  233   2HA   GLY  36          1HA       GLY  36  20.121  -7.190   5.796
  234    H    CYS  37           H        CYS  37  22.299  -5.242   7.155
  235    HA   CYS  37           HA       CYS  37  23.022  -3.827   4.862
  236   1HB   CYS  37          2HB       CYS  37  22.771  -2.791   6.910
  237   2HB   CYS  37          1HB       CYS  37  24.100  -3.728   7.531
  238    H    VAL  38           H        VAL  38  25.240  -5.237   7.193
  239    HA   VAL  38           HA       VAL  38  27.117  -6.011   5.035
  240    HB   VAL  38           HB       VAL  38  27.807  -5.585   8.001
  241   1HG1  VAL  38          1HG1      VAL  38  30.104  -5.197   7.089
  242   2HG1  VAL  38          2HG1      VAL  38  29.503  -5.464   5.460
  243   3HG1  VAL  38          3HG1      VAL  38  29.509  -6.778   6.623
  244   1HG2  VAL  38          1HG2      VAL  38  28.652  -3.275   7.260
  245   2HG2  VAL  38          2HG2      VAL  38  26.910  -3.442   7.347
  246   3HG2  VAL  38          3HG2      VAL  38  27.719  -3.492   5.788
  247    H    ASN  39           H        ASN  39  25.016  -7.439   5.458
  248    HA   ASN  39           HA       ASN  39  26.063 -10.023   6.481
  249   1HB   ASN  39          2HB       ASN  39  23.364  -8.855   7.331
  250   2HB   ASN  39          1HB       ASN  39  23.929 -10.472   7.724
  251   1HD2  ASN  39          1HD2      ASN  39  25.852 -10.637   9.154
  252   2HD2  ASN  39          2HD2      ASN  39  26.224  -9.364  10.215
  Start of MODEL   19
    1    H    ALA   1           H        ALA   1   3.538   0.106  -2.340
    2    HA   ALA   1           HA       ALA   1   2.479  -1.049   0.118
    3   1HB   ALA   1          1HB       ALA   1   1.524  -2.602  -1.556
    4   2HB   ALA   1          2HB       ALA   1   2.773  -3.425  -0.635
    5   3HB   ALA   1          3HB       ALA   1   3.113  -2.852  -2.261
    6    H    THR   2           H        THR   2   4.989  -1.402  -2.352
    7    HA   THR   2           HA       THR   2   7.076  -1.933  -0.314
    8    HB   THR   2           HB       THR   2   7.838  -1.599  -3.209
    9    HG1  THR   2           HG1      THR   2   6.033  -3.533  -2.191
   10   1HG2  THR   2          1HG2      THR   2   8.985  -3.777  -2.738
   11   2HG2  THR   2          2HG2      THR   2   8.172  -3.890  -1.185
   12   3HG2  THR   2          3HG2      THR   2   9.382  -2.646  -1.457
   13    H    CYS   3           H        CYS   3   9.213  -0.826  -0.855
   14    HA   CYS   3           HA       CYS   3   8.899   1.995  -0.480
   15   1HB   CYS   3          2HB       CYS   3  11.357   0.587  -0.566
   16   2HB   CYS   3          1HB       CYS   3  10.796   1.833   0.505
   17    H    ARG   4           H        ARG   4  10.703   3.333  -1.405
   18    HA   ARG   4           HA       ARG   4  10.497   3.528  -4.180
   19   1HB   ARG   4          2HB       ARG   4  11.754   4.786  -1.952
   20   2HB   ARG   4          1HB       ARG   4  12.459   5.167  -3.459
   21   1HG   ARG   4          2HG       ARG   4   9.606   5.356  -3.802
   22   2HG   ARG   4          1HG       ARG   4   9.944   6.020  -2.218
   23   1HD   ARG   4          2HD       ARG   4  11.544   7.632  -3.178
   24   2HD   ARG   4          1HD       ARG   4  11.372   6.896  -4.772
   25    HE   ARG   4           HE       ARG   4   8.802   7.715  -3.789
   26   1HH1  ARG   4          2HH1      ARG   4  11.787   8.919  -5.074
   27   2HH1  ARG   4          1HH1      ARG   4  11.057  10.332  -5.757
   28   1HH2  ARG   4          1HH2      ARG   4   7.854   9.501  -4.646
   29   2HH2  ARG   4          2HH2      ARG   4   8.798  10.667  -5.511
   30    HA   PRO   5           HA       PRO   5  14.016   1.294  -5.583
   31   1HB   PRO   5          2HB       PRO   5  15.169   3.141  -7.436
   32   2HB   PRO   5          1HB       PRO   5  13.953   1.927  -7.804
   33   1HG   PRO   5          2HG       PRO   5  13.611   4.833  -7.553
   34   2HG   PRO   5          1HG       PRO   5  12.480   3.650  -8.194
   35   1HD   PRO   5          2HD       PRO   5  12.350   4.972  -5.638
   36   2HD   PRO   5          1HD       PRO   5  11.267   3.703  -6.237
   37    H    ASP   6           H        ASP   6  14.431   4.356  -4.461
   38    HA   ASP   6           HA       ASP   6  17.268   4.243  -3.938
   39   1HB   ASP   6          2HB       ASP   6  16.904   6.512  -3.054
   40   2HB   ASP   6          1HB       ASP   6  16.396   6.311  -4.722
   41    H    GLU   7           H        GLU   7  14.394   3.406  -2.406
   42    HA   GLU   7           HA       GLU   7  15.324   3.756   0.315
   43   1HB   GLU   7          2HB       GLU   7  12.762   3.185  -1.049
   44   2HB   GLU   7          1HB       GLU   7  12.941   2.341   0.473
   45   1HG   GLU   7          2HG       GLU   7  13.728   4.446   1.446
   46   2HG   GLU   7          1HG       GLU   7  13.273   5.279   0.019
   47    H    PHE   8           H        PHE   8  14.855   2.199   1.790
   48    HA   PHE   8           HA       PHE   8  15.691  -0.541   1.138
   49   1HB   PHE   8          2HB       PHE   8  17.398   0.817   2.180
   50   2HB   PHE   8          1HB       PHE   8  16.429   1.011   3.642
   51    HD1  PHE   8           HD1      PHE   8  16.271  -0.772   5.256
   52    HD2  PHE   8           HD2      PHE   8  18.202  -1.494   1.525
   53    HE1  PHE   8           HE1      PHE   8  17.098  -2.920   6.094
   54    HE2  PHE   8           HE2      PHE   8  19.023  -3.646   2.372
   55    HZ   PHE   8           HZ       PHE   8  18.473  -4.362   4.658
   56    H    GLN   9           H        GLN   9  14.597  -2.094   2.079
   57    HA   GLN   9           HA       GLN   9  12.274  -1.360   3.769
   58   1HB   GLN   9          2HB       GLN   9  12.006  -2.181   1.587
   59   2HB   GLN   9          1HB       GLN   9  12.718  -3.709   2.018
   60   1HG   GLN   9          2HG       GLN   9  10.826  -4.253   3.498
   61   2HG   GLN   9          1HG       GLN   9  10.312  -2.575   3.568
   62   1HE2  GLN   9          1HE2      GLN   9  10.839  -5.087   1.027
   63   2HE2  GLN   9          2HE2      GLN   9   9.424  -4.715   0.167
   64    H    CYS  10           H        CYS  10  11.797  -2.253   5.516
   65    HA   CYS  10           HA       CYS  10  13.632  -3.732   7.064
   66   1HB   CYS  10          2HB       CYS  10  10.956  -2.572   7.482
   67   2HB   CYS  10          1HB       CYS  10  11.875  -3.285   8.701
   68    H    SER  11           H        SER  11  12.422  -5.276   8.582
   69    HA   SER  11           HA       SER  11  11.483  -7.501   6.994
   70   1HB   SER  11          2HB       SER  11  13.261  -7.773   8.800
   71   2HB   SER  11          1HB       SER  11  12.006  -7.420   9.998
   72    HG   SER  11           HG       SER  11  11.916  -9.448   8.015
   73    H    ASP  12           H        ASP  12  10.291  -5.093   9.240
   74    HA   ASP  12           HA       ASP  12   7.826  -6.432   9.739
   75   1HB   ASP  12          2HB       ASP  12   7.588  -4.632  11.282
   76   2HB   ASP  12          1HB       ASP  12   9.203  -5.288  11.383
   77    H    GLY  13           H        GLY  13   8.837  -5.303   7.077
   78   1HA   GLY  13          2HA       GLY  13   7.850  -4.603   5.153
   79   2HA   GLY  13          1HA       GLY  13   6.367  -4.428   6.051
   80    H    ASN  14           H        ASN  14   8.409  -2.556   7.779
   81    HA   ASN  14           HA       ASN  14   7.429  -0.113   6.613
   82   1HB   ASN  14          2HB       ASN  14   7.691  -0.352   9.003
   83   2HB   ASN  14          1HB       ASN  14   9.416  -0.637   8.827
   84   1HD2  ASN  14          1HD2      ASN  14   6.870   1.808   8.690
   85   2HD2  ASN  14          2HD2      ASN  14   7.901   3.157   8.688
   86    H    CYS  15           H        CYS  15   9.005   1.672   6.100
   87    HA   CYS  15           HA       CYS  15  11.472   0.644   4.751
   88   1HB   CYS  15          2HB       CYS  15   9.802   2.724   3.608
   89   2HB   CYS  15          1HB       CYS  15  11.117   1.869   2.861
   90    H    ILE  16           H        ILE  16  13.163   2.081   4.486
   91    HA   ILE  16           HA       ILE  16  13.098   4.727   5.734
   92    HB   ILE  16           HB       ILE  16  15.291   4.250   6.675
   93   1HG1  ILE  16          2HG1      ILE  16  14.959   1.281   5.901
   94   2HG1  ILE  16          1HG1      ILE  16  15.736   2.410   4.842
   95   1HG2  ILE  16          1HG2      ILE  16  13.271   2.156   7.531
   96   2HG2  ILE  16          2HG2      ILE  16  13.425   3.798   8.165
   97   3HG2  ILE  16          3HG2      ILE  16  14.704   2.626   8.425
   98   1HD1  ILE  16          1HD1      ILE  16  17.131   1.100   6.612
   99   2HD1  ILE  16          2HD1      ILE  16  16.765   2.546   7.563
  100   3HD1  ILE  16          3HD1      ILE  16  17.523   2.701   5.986
  101    H    HIS  17           H        HIS  17  14.961   6.002   4.840
  102    HA   HIS  17           HA       HIS  17  15.180   5.593   1.992
  103   1HB   HIS  17          2HB       HIS  17  15.209   7.763   3.127
  104   2HB   HIS  17          1HB       HIS  17  16.837   7.299   3.628
  105    HD1  HIS  17           HD1      HIS  17  18.619   7.655   1.847
  106    HD2  HIS  17           HD2      HIS  17  14.887   7.842   0.204
  107    HE1  HIS  17           HE1      HIS  17  18.930   8.317  -0.509
  108    H    GLY  18           H        GLY  18  17.231   5.177   0.840
  109   1HA   GLY  18          2HA       GLY  18  18.642   3.020   1.739
  110   2HA   GLY  18          1HA       GLY  18  19.189   4.085   0.452
  111    H    SER  19           H        SER  19  18.984   6.323   2.504
  112    HA   SER  19           HA       SER  19  21.694   6.216   3.424
  113   1HB   SER  19          2HB       SER  19  20.702   8.223   2.209
  114   2HB   SER  19          1HB       SER  19  19.741   8.542   3.661
  115    HG   SER  19           HG       SER  19  22.560   8.241   3.547
  116    H    ARG  20           H        ARG  20  18.620   5.650   4.762
  117    HA   ARG  20           HA       ARG  20  19.226   6.393   7.464
  118   1HB   ARG  20          2HB       ARG  20  17.025   5.584   5.894
  119   2HB   ARG  20          1HB       ARG  20  16.964   5.119   7.566
  120   1HG   ARG  20          2HG       ARG  20  17.413   7.584   8.116
  121   2HG   ARG  20          1HG       ARG  20  17.279   7.928   6.401
  122   1HD   ARG  20          2HD       ARG  20  14.991   6.366   7.548
  123   2HD   ARG  20          1HD       ARG  20  15.149   7.995   8.173
  124    HE   ARG  20           HE       ARG  20  14.395   7.250   5.457
  125   1HH1  ARG  20          1HH2      ARG  20  15.792   9.699   7.474
  126   2HH1  ARG  20          2HH2      ARG  20  15.379  10.985   6.392
  127   1HH2  ARG  20          2HH1      ARG  20  13.864   8.865   4.073
  128   2HH2  ARG  20          1HH1      ARG  20  14.276  10.508   4.438
  129    H    GLN  21           H        GLN  21  19.820   3.820   5.510
  130    HA   GLN  21           HA       GLN  21  19.656   1.744   7.510
  131   1HB   GLN  21          2HB       GLN  21  18.983   1.489   5.059
  132   2HB   GLN  21          1HB       GLN  21  20.668   1.654   4.672
  133   1HG   GLN  21          2HG       GLN  21  20.820  -0.383   6.543
  134   2HG   GLN  21          1HG       GLN  21  19.182  -0.640   5.975
  135   1HE2  GLN  21          1HE2      GLN  21  21.330  -2.504   5.581
  136   2HE2  GLN  21          2HE2      GLN  21  21.596  -2.635   3.910
  137    H    CYS  22           H        CYS  22  21.406   0.840   8.485
  138    HA   CYS  22           HA       CYS  22  23.596   0.526   9.237
  139   1HB   CYS  22          2HB       CYS  22  24.671   1.746   6.814
  140   2HB   CYS  22          1HB       CYS  22  25.306   0.425   7.723
  141    H    ASP  23           H        ASP  23  22.626   2.470  10.391
  142    HA   ASP  23           HA       ASP  23  24.883   4.300  10.930
  143   1HB   ASP  23          2HB       ASP  23  22.991   6.211  11.044
  144   2HB   ASP  23          1HB       ASP  23  23.769   5.836   9.524
  145    H    ARG  24           H        ARG  24  22.776   2.158  11.784
  146    HA   ARG  24           HA       ARG  24  21.703   1.348  13.541
  147   1HB   ARG  24          2HB       ARG  24  22.964   1.245  15.454
  148   2HB   ARG  24          1HB       ARG  24  24.082   1.250  14.122
  149   1HG   ARG  24          2HG       ARG  24  24.908   3.417  14.600
  150   2HG   ARG  24          1HG       ARG  24  23.517   3.870  15.562
  151   1HD   ARG  24          2HD       ARG  24  24.619   1.616  16.906
  152   2HD   ARG  24          1HD       ARG  24  26.005   2.567  16.402
  153    HE   ARG  24           HE       ARG  24  24.090   3.288  18.439
  154   1HH1  ARG  24          1HH2      ARG  24  26.147   4.567  15.961
  155   2HH1  ARG  24          2HH2      ARG  24  26.314   6.105  16.737
  156   1HH2  ARG  24          2HH1      ARG  24  24.289   5.225  19.437
  157   2HH2  ARG  24          1HH1      ARG  24  25.246   6.486  18.734
  158    H    GLU  25           H        GLU  25  20.780   3.813  12.681
  159    HA   GLU  25           HA       GLU  25  19.804   5.169  15.153
  160   1HB   GLU  25          2HB       GLU  25  19.177   5.847  12.241
  161   2HB   GLU  25          1HB       GLU  25  18.820   6.860  13.626
  162   1HG   GLU  25          2HG       GLU  25  21.225   7.223  14.032
  163   2HG   GLU  25          1HG       GLU  25  21.619   6.136  12.711
  164    H    TYR  26           H        TYR  26  19.146   2.753  14.765
  165    HA   TYR  26           HA       TYR  26  17.289   1.252  14.005
  166   1HB   TYR  26          2HB       TYR  26  17.882   0.869  16.238
  167   2HB   TYR  26          1HB       TYR  26  17.357   2.444  16.782
  168    HD1  TYR  26           HD1      TYR  26  16.133  -0.881  15.693
  169    HD2  TYR  26           HD2      TYR  26  15.167   2.716  17.734
  170    HE1  TYR  26           HE1      TYR  26  14.064  -1.910  16.521
  171    HE2  TYR  26           HE2      TYR  26  13.104   1.696  18.562
  172    HH   TYR  26           HH       TYR  26  11.559  -0.153  17.868
  173    H    ASP  27           H        ASP  27  16.206   2.584  12.272
  174    HA   ASP  27           HA       ASP  27  14.243   4.410  12.900
  175   1HB   ASP  27          2HB       ASP  27  14.866   2.862  10.410
  176   2HB   ASP  27          1HB       ASP  27  13.827   4.251  10.470
  177    H    CYS  28           H        CYS  28  14.215   1.203  11.922
  178    HA   CYS  28           HA       CYS  28  11.279   0.941  12.024
  179   1HB   CYS  28          2HB       CYS  28  13.536  -0.702  11.004
  180   2HB   CYS  28          1HB       CYS  28  12.125  -1.558  11.501
  181    H    LYS  29           H        LYS  29  10.161  -0.279  13.359
  182    HA   LYS  29           HA       LYS  29  10.894  -0.486  16.016
  183   1HB   LYS  29          2HB       LYS  29   8.752  -1.829  16.237
  184   2HB   LYS  29          1HB       LYS  29   8.562  -0.333  15.352
  185   1HG   LYS  29          2HG       LYS  29   9.285  -2.399  13.423
  186   2HG   LYS  29          1HG       LYS  29   8.037  -3.047  14.456
  187   1HD   LYS  29          2HD       LYS  29   6.853  -2.006  12.692
  188   2HD   LYS  29          1HD       LYS  29   6.725  -0.862  14.010
  189   1HE   LYS  29          2HE       LYS  29   8.338   0.613  13.039
  190   2HE   LYS  29          1HE       LYS  29   8.971  -0.630  11.968
  191   1HZ   LYS  29          1HZ       LYS  29   7.606   0.869  10.751
  192   2HZ   LYS  29          2HZ       LYS  29   6.299   0.625  11.809
  193   3HZ   LYS  29          3HZ       LYS  29   6.840  -0.645  10.820
  194    H    ASP  30           H        ASP  30  11.291  -2.620  13.499
  195    HA   ASP  30           HA       ASP  30  11.957  -4.938  15.091
  196   1HB   ASP  30          2HB       ASP  30  10.493  -4.848  13.074
  197   2HB   ASP  30          1HB       ASP  30  12.052  -4.889  12.240
  198    H    MET  31           H        MET  31  13.568  -2.372  14.154
  199    HA   MET  31           HA       MET  31  15.797  -1.751  13.773
  200   1HB   MET  31          2HB       MET  31  15.918  -3.269  15.920
  201   2HB   MET  31          1HB       MET  31  16.581  -4.491  14.862
  202   1HG   MET  31          2HG       MET  31  17.901  -1.899  14.472
  203   2HG   MET  31          1HG       MET  31  17.987  -2.425  16.123
  204   1HE   MET  31          1HE       MET  31  18.658  -5.047  16.648
  205   2HE   MET  31          2HE       MET  31  19.849  -3.780  17.031
  206   3HE   MET  31          3HE       MET  31  20.348  -5.269  16.245
  207    H    SER  32           H        SER  32  14.255  -3.682  11.912
  208    HA   SER  32           HA       SER  32  16.253  -5.158  10.493
  209   1HB   SER  32          2HB       SER  32  13.378  -4.398   9.875
  210   2HB   SER  32          1HB       SER  32  14.334  -5.499   8.855
  211    HG   SER  32           HG       SER  32  14.322  -6.944  10.393
  212    H    ASP  33           H        ASP  33  15.744  -1.922  10.630
  213    HA   ASP  33           HA       ASP  33  16.268  -1.301   7.834
  214   1HB   ASP  33          2HB       ASP  33  15.990   0.899   8.541
  215   2HB   ASP  33          1HB       ASP  33  14.755  -0.030   9.331
  216    H    GLU  34           H        GLU  34  17.889  -2.253  10.583
  217    HA   GLU  34           HA       GLU  34  20.454  -1.098   9.774
  218   1HB   GLU  34          2HB       GLU  34  19.055  -1.713  12.346
  219   2HB   GLU  34          1HB       GLU  34  20.787  -1.667  12.311
  220   1HG   GLU  34          2HG       GLU  34  18.809   0.557  11.634
  221   2HG   GLU  34          1HG       GLU  34  19.934   0.599  12.952
  222    H    VAL  35           H        VAL  35  19.121  -3.410   8.747
  223    HA   VAL  35           HA       VAL  35  20.956  -5.497   9.473
  224    HB   VAL  35           HB       VAL  35  18.387  -5.454   9.921
  225   1HG1  VAL  35          1HG1      VAL  35  18.568  -7.123   7.430
  226   2HG1  VAL  35          2HG1      VAL  35  17.983  -5.462   7.420
  227   3HG1  VAL  35          3HG1      VAL  35  17.123  -6.693   8.351
  228   1HG2  VAL  35          1HG2      VAL  35  19.964  -7.137  10.800
  229   2HG2  VAL  35          2HG2      VAL  35  19.986  -7.956   9.247
  230   3HG2  VAL  35          3HG2      VAL  35  18.514  -7.927  10.207
  231    H    GLY  36           H        GLY  36  21.031  -7.102   7.849
  232   1HA   GLY  36          2HA       GLY  36  21.754  -7.934   5.837
  233   2HA   GLY  36          1HA       GLY  36  20.645  -6.766   5.119
  234    H    CYS  37           H        CYS  37  22.749  -5.246   7.021
  235    HA   CYS  37           HA       CYS  37  24.185  -4.005   4.916
  236   1HB   CYS  37          2HB       CYS  37  23.300  -2.999   6.978
  237   2HB   CYS  37          1HB       CYS  37  24.811  -3.553   7.664
  238    H    VAL  38           H        VAL  38  25.360  -5.405   7.922
  239    HA   VAL  38           HA       VAL  38  27.679  -6.637   6.560
  240    HB   VAL  38           HB       VAL  38  27.721  -5.233   9.291
  241   1HG1  VAL  38          1HG1      VAL  38  29.927  -6.352   7.491
  242   2HG1  VAL  38          2HG1      VAL  38  29.538  -6.871   9.122
  243   3HG1  VAL  38          3HG1      VAL  38  30.262  -5.302   8.856
  244   1HG2  VAL  38          1HG2      VAL  38  27.376  -3.474   7.652
  245   2HG2  VAL  38          2HG2      VAL  38  28.578  -4.159   6.569
  246   3HG2  VAL  38          3HG2      VAL  38  29.072  -3.429   8.087
  247    H    ASN  39           H        ASN  39  25.485  -7.901   6.851
  248    HA   ASN  39           HA       ASN  39  24.491  -9.854   7.624
  249   1HB   ASN  39          2HB       ASN  39  27.031 -10.535   7.518
  250   2HB   ASN  39          1HB       ASN  39  27.001 -10.408   9.269
  251   1HD2  ASN  39          1HD2      ASN  39  25.987 -12.337   6.545
  252   2HD2  ASN  39          2HD2      ASN  39  25.264 -13.582   7.443
  Start of MODEL   20
    1    H    ALA   1           H        ALA   1   2.797  -2.065   1.708
    2    HA   ALA   1           HA       ALA   1   2.990  -1.886  -1.239
    3   1HB   ALA   1          1HB       ALA   1   1.588   0.041  -0.495
    4   2HB   ALA   1          2HB       ALA   1   3.119   0.595  -1.150
    5   3HB   ALA   1          3HB       ALA   1   2.867   0.558   0.590
    6    H    THR   2           H        THR   2   5.034  -1.364  -2.007
    7    HA   THR   2           HA       THR   2   7.256  -1.868  -0.121
    8    HB   THR   2           HB       THR   2   7.844  -1.376  -3.026
    9    HG1  THR   2           HG1      THR   2   5.832  -2.447  -3.078
   10   1HG2  THR   2          1HG2      THR   2   8.360  -3.795  -1.211
   11   2HG2  THR   2          2HG2      THR   2   9.483  -2.450  -1.338
   12   3HG2  THR   2          3HG2      THR   2   9.150  -3.453  -2.741
   13    H    CYS   3           H        CYS   3   9.305  -0.653  -0.697
   14    HA   CYS   3           HA       CYS   3   8.924   2.148  -0.225
   15   1HB   CYS   3          2HB       CYS   3  11.404   0.783  -0.437
   16   2HB   CYS   3          1HB       CYS   3  10.880   2.000   0.685
   17    H    ARG   4           H        ARG   4  10.702   3.536  -1.176
   18    HA   ARG   4           HA       ARG   4  10.339   3.868  -3.907
   19   1HB   ARG   4          2HB       ARG   4  11.885   4.898  -1.738
   20   2HB   ARG   4          1HB       ARG   4  12.374   5.409  -3.295
   21   1HG   ARG   4          2HG       ARG   4   9.809   6.017  -3.577
   22   2HG   ARG   4          1HG       ARG   4   9.739   5.792  -1.839
   23   1HD   ARG   4          2HD       ARG   4  11.558   7.764  -3.293
   24   2HD   ARG   4          1HD       ARG   4  10.149   8.186  -2.318
   25    HE   ARG   4           HE       ARG   4  11.660   6.744  -0.549
   26   1HH1  ARG   4          2HH1      ARG   4  12.364   9.399  -2.663
   27   2HH1  ARG   4          1HH1      ARG   4  13.593  10.045  -1.632
   28   1HH2  ARG   4          1HH2      ARG   4  13.210   7.528   0.772
   29   2HH2  ARG   4          2HH2      ARG   4  14.082   8.965   0.349
   30    HA   PRO   5           HA       PRO   5  13.598   1.464  -5.639
   31   1HB   PRO   5          2HB       PRO   5  14.719   3.322  -7.512
   32   2HB   PRO   5          1HB       PRO   5  13.436   2.165  -7.833
   33   1HG   PRO   5          2HG       PRO   5  13.217   5.070  -7.496
   34   2HG   PRO   5          1HG       PRO   5  11.996   3.940  -8.060
   35   1HD   PRO   5          2HD       PRO   5  12.129   5.221  -5.478
   36   2HD   PRO   5          1HD       PRO   5  10.943   4.018  -6.013
   37    H    ASP   6           H        ASP   6  14.276   4.464  -4.499
   38    HA   ASP   6           HA       ASP   6  17.128   4.190  -4.162
   39   1HB   ASP   6          2HB       ASP   6  16.940   6.469  -3.238
   40   2HB   ASP   6          1HB       ASP   6  16.314   6.314  -4.870
   41    H    GLU   7           H        GLU   7  14.326   3.479  -2.420
   42    HA   GLU   7           HA       GLU   7  15.485   3.772   0.220
   43   1HB   GLU   7          2HB       GLU   7  12.791   3.276  -0.921
   44   2HB   GLU   7          1HB       GLU   7  13.074   2.488   0.613
   45   1HG   GLU   7          2HG       GLU   7  13.995   4.548   1.464
   46   2HG   GLU   7          1HG       GLU   7  13.512   5.394   0.047
   47    H    PHE   8           H        PHE   8  15.153   2.293   1.743
   48    HA   PHE   8           HA       PHE   8  15.846  -0.480   1.053
   49   1HB   PHE   8          2HB       PHE   8  17.637   0.778   2.040
   50   2HB   PHE   8          1HB       PHE   8  16.701   1.107   3.493
   51    HD1  PHE   8           HD1      PHE   8  16.373  -0.615   5.172
   52    HD2  PHE   8           HD2      PHE   8  18.331  -1.597   1.519
   53    HE1  PHE   8           HE1      PHE   8  17.046  -2.771   6.113
   54    HE2  PHE   8           HE2      PHE   8  19.000  -3.757   2.465
   55    HZ   PHE   8           HZ       PHE   8  18.361  -4.352   4.764
   56    H    GLN   9           H        GLN   9  14.750  -2.023   1.993
   57    HA   GLN   9           HA       GLN   9  12.508  -1.296   3.793
   58   1HB   GLN   9          2HB       GLN   9  12.144  -2.018   1.572
   59   2HB   GLN   9          1HB       GLN   9  12.826  -3.577   1.929
   60   1HG   GLN   9          2HG       GLN   9  10.997  -4.115   3.469
   61   2HG   GLN   9          1HG       GLN   9  10.485  -2.434   3.564
   62   1HE2  GLN   9          1HE2      GLN   9  11.046  -4.800   0.891
   63   2HE2  GLN   9          2HE2      GLN   9   9.580  -4.470   0.101
   64    H    CYS  10           H        CYS  10  11.975  -2.354   5.474
   65    HA   CYS  10           HA       CYS  10  13.832  -3.915   6.924
   66   1HB   CYS  10          2HB       CYS  10  11.177  -2.753   7.427
   67   2HB   CYS  10          1HB       CYS  10  12.053  -3.596   8.584
   68    H    SER  11           H        SER  11  12.612  -5.529   8.372
   69    HA   SER  11           HA       SER  11  11.612  -7.630   6.653
   70   1HB   SER  11          2HB       SER  11  13.399  -8.055   8.421
   71   2HB   SER  11          1HB       SER  11  12.169  -7.760   9.654
   72    HG   SER  11           HG       SER  11  11.898  -9.601   7.518
   73    H    ASP  12           H        ASP  12  10.495  -5.336   9.074
   74    HA   ASP  12           HA       ASP  12   8.002  -6.633   9.520
   75   1HB   ASP  12          2HB       ASP  12   7.774  -4.867  11.097
   76   2HB   ASP  12          1HB       ASP  12   9.372  -5.549  11.209
   77    H    GLY  13           H        GLY  13   9.047  -5.312   6.901
   78   1HA   GLY  13          2HA       GLY  13   7.991  -4.537   5.029
   79   2HA   GLY  13          1HA       GLY  13   6.541  -4.376   5.984
   80    H    ASN  14           H        ASN  14   8.607  -2.623   7.780
   81    HA   ASN  14           HA       ASN  14   7.684  -0.118   6.688
   82   1HB   ASN  14          2HB       ASN  14   7.864  -0.401   9.082
   83   2HB   ASN  14          1HB       ASN  14   9.573  -0.771   8.948
   84   1HD2  ASN  14          1HD2      ASN  14   7.187   1.842   8.430
   85   2HD2  ASN  14          2HD2      ASN  14   8.287   3.118   8.640
   86    H    CYS  15           H        CYS  15   9.311   1.656   6.284
   87    HA   CYS  15           HA       CYS  15  11.785   0.610   4.959
   88   1HB   CYS  15          2HB       CYS  15  10.246   2.784   3.817
   89   2HB   CYS  15          1HB       CYS  15  11.473   1.814   3.068
   90    H    ILE  16           H        ILE  16  13.379   2.167   4.457
   91    HA   ILE  16           HA       ILE  16  13.477   4.729   5.852
   92    HB   ILE  16           HB       ILE  16  15.744   4.190   6.621
   93   1HG1  ILE  16          2HG1      ILE  16  15.088   1.344   5.629
   94   2HG1  ILE  16          1HG1      ILE  16  16.208   2.452   4.886
   95   1HG2  ILE  16          1HG2      ILE  16  13.882   2.063   7.711
   96   2HG2  ILE  16          2HG2      ILE  16  13.717   3.776   8.100
   97   3HG2  ILE  16          3HG2      ILE  16  15.184   2.916   8.530
   98   1HD1  ILE  16          1HD1      ILE  16  16.987   2.257   7.605
   99   2HD1  ILE  16          2HD1      ILE  16  17.809   1.744   6.142
  100   3HD1  ILE  16          3HD1      ILE  16  16.723   0.636   6.955
  101    H    HIS  17           H        HIS  17  15.287   6.013   4.899
  102    HA   HIS  17           HA       HIS  17  15.404   5.680   2.043
  103   1HB   HIS  17          2HB       HIS  17  15.478   7.810   3.272
  104   2HB   HIS  17          1HB       HIS  17  17.134   7.343   3.638
  105    HD1  HIS  17           HD1      HIS  17  18.124   9.185   2.041
  106    HD2  HIS  17           HD2      HIS  17  15.655   6.601   0.079
  107    HE1  HIS  17           HE1      HIS  17  18.455   9.603  -0.366
  108    H    GLY  18           H        GLY  18  17.335   5.248   0.784
  109   1HA   GLY  18          2HA       GLY  18  18.824   3.100   1.553
  110   2HA   GLY  18          1HA       GLY  18  19.281   4.190   0.252
  111    H    SER  19           H        SER  19  19.208   6.400   2.338
  112    HA   SER  19           HA       SER  19  21.970   6.273   3.096
  113   1HB   SER  19          2HB       SER  19  21.639   8.728   3.598
  114   2HB   SER  19          1HB       SER  19  21.043   8.313   1.982
  115    HG   SER  19           HG       SER  19  18.984   7.940   2.976
  116    H    ARG  20           H        ARG  20  18.895   5.880   4.591
  117    HA   ARG  20           HA       ARG  20  19.741   6.457   7.265
  118   1HB   ARG  20          2HB       ARG  20  17.374   5.970   5.819
  119   2HB   ARG  20          1HB       ARG  20  17.350   5.435   7.473
  120   1HG   ARG  20          2HG       ARG  20  18.467   8.190   6.951
  121   2HG   ARG  20          1HG       ARG  20  16.757   8.013   6.629
  122   1HD   ARG  20          2HD       ARG  20  17.808   6.913   9.238
  123   2HD   ARG  20          1HD       ARG  20  17.607   8.648   9.097
  124    HE   ARG  20           HE       ARG  20  15.462   6.621   9.042
  125   1HH1  ARG  20          1HH2      ARG  20  16.390   9.931   8.530
  126   2HH1  ARG  20          2HH2      ARG  20  14.764  10.512   8.653
  127   1HH2  ARG  20          2HH1      ARG  20  13.403   7.348   9.188
  128   2HH2  ARG  20          1HH1      ARG  20  13.060   9.039   9.029
  129    H    GLN  21           H        GLN  21  20.130   3.887   5.278
  130    HA   GLN  21           HA       GLN  21  19.672   1.782   7.202
  131   1HB   GLN  21          2HB       GLN  21  19.253   1.617   4.670
  132   2HB   GLN  21          1HB       GLN  21  20.979   1.704   4.480
  133   1HG   GLN  21          2HG       GLN  21  20.955  -0.352   6.240
  134   2HG   GLN  21          1HG       GLN  21  19.289  -0.511   5.730
  135   1HE2  GLN  21          1HE2      GLN  21  21.215  -2.537   5.279
  136   2HE2  GLN  21          2HE2      GLN  21  21.469  -2.684   3.607
  137    H    CYS  22           H        CYS  22  21.253   0.922   8.452
  138    HA   CYS  22           HA       CYS  22  23.390   0.579   9.420
  139   1HB   CYS  22          2HB       CYS  22  24.793   1.559   7.060
  140   2HB   CYS  22          1HB       CYS  22  25.154   0.200   8.052
  141    H    ASP  23           H        ASP  23  22.332   2.679  10.299
  142    HA   ASP  23           HA       ASP  23  24.545   4.619  10.667
  143   1HB   ASP  23          2HB       ASP  23  23.085   6.540  10.202
  144   2HB   ASP  23          1HB       ASP  23  22.977   5.463   8.830
  145    H    ARG  24           H        ARG  24  22.712   2.445  11.795
  146    HA   ARG  24           HA       ARG  24  21.685   1.711  13.587
  147   1HB   ARG  24          2HB       ARG  24  22.943   1.894  15.521
  148   2HB   ARG  24          1HB       ARG  24  24.049   1.832  14.181
  149   1HG   ARG  24          2HG       ARG  24  24.845   4.011  14.508
  150   2HG   ARG  24          1HG       ARG  24  23.330   4.603  15.164
  151   1HD   ARG  24          2HD       ARG  24  25.089   4.487  16.917
  152   2HD   ARG  24          1HD       ARG  24  23.744   3.410  17.287
  153    HE   ARG  24           HE       ARG  24  25.745   2.001  15.782
  154   1HH1  ARG  24          1HH2      ARG  24  25.076   3.320  18.918
  155   2HH1  ARG  24          2HH2      ARG  24  26.088   2.180  19.738
  156   1HH2  ARG  24          2HH1      ARG  24  27.036   0.548  16.803
  157   2HH2  ARG  24          1HH1      ARG  24  27.214   0.592  18.525
  158    H    GLU  25           H        GLU  25  20.577   4.031  12.594
  159    HA   GLU  25           HA       GLU  25  19.447   5.395  15.013
  160   1HB   GLU  25          2HB       GLU  25  19.378   5.983  12.039
  161   2HB   GLU  25          1HB       GLU  25  18.318   6.828  13.151
  162   1HG   GLU  25          2HG       GLU  25  20.017   8.042  14.146
  163   2HG   GLU  25          1HG       GLU  25  21.217   6.788  13.911
  164    H    TYR  26           H        TYR  26  18.994   2.972  14.748
  165    HA   TYR  26           HA       TYR  26  17.290   1.342  13.802
  166   1HB   TYR  26          2HB       TYR  26  17.942   0.755  15.917
  167   2HB   TYR  26          1HB       TYR  26  17.558   2.302  16.625
  168    HD1  TYR  26           HD1      TYR  26  15.427   2.666  17.718
  169    HD2  TYR  26           HD2      TYR  26  16.156  -0.954  15.621
  170    HE1  TYR  26           HE1      TYR  26  13.438   1.677  18.740
  171    HE2  TYR  26           HE2      TYR  26  14.162  -1.952  16.642
  172    HH   TYR  26           HH       TYR  26  12.695  -1.693  18.464
  173    H    ASP  27           H        ASP  27  16.031   2.560  12.253
  174    HA   ASP  27           HA       ASP  27  13.951   4.240  12.957
  175   1HB   ASP  27          2HB       ASP  27  15.136   3.082  10.541
  176   2HB   ASP  27          1HB       ASP  27  13.486   3.610  10.372
  177    H    CYS  28           H        CYS  28  14.136   1.038  12.008
  178    HA   CYS  28           HA       CYS  28  11.218   0.586  12.094
  179   1HB   CYS  28          2HB       CYS  28  13.616  -0.966  11.179
  180   2HB   CYS  28          1HB       CYS  28  12.223  -1.861  11.661
  181    H    LYS  29           H        LYS  29  10.215  -0.379  13.704
  182    HA   LYS  29           HA       LYS  29  11.305  -0.470  16.258
  183   1HB   LYS  29          2HB       LYS  29   8.738  -1.407  14.986
  184   2HB   LYS  29          1HB       LYS  29   9.055  -1.880  16.638
  185   1HG   LYS  29          2HG       LYS  29   7.729   0.189  16.607
  186   2HG   LYS  29          1HG       LYS  29   9.294   0.475  17.328
  187   1HD   LYS  29          2HD       LYS  29   8.753   2.331  15.848
  188   2HD   LYS  29          1HD       LYS  29  10.105   1.473  15.159
  189   1HE   LYS  29          2HE       LYS  29   8.766   0.577  13.387
  190   2HE   LYS  29          1HE       LYS  29   7.275   0.773  14.292
  191   1HZ   LYS  29          1HZ       LYS  29   8.937   3.005  13.287
  192   2HZ   LYS  29          2HZ       LYS  29   7.414   3.123  14.029
  193   3HZ   LYS  29          3HZ       LYS  29   7.563   2.389  12.505
  194    H    ASP  30           H        ASP  30  11.092  -2.720  13.827
  195    HA   ASP  30           HA       ASP  30  11.724  -5.064  15.348
  196   1HB   ASP  30          2HB       ASP  30  10.186  -5.541  13.827
  197   2HB   ASP  30          1HB       ASP  30  10.776  -4.318  12.764
  198    H    MET  31           H        MET  31  13.433  -2.594  14.383
  199    HA   MET  31           HA       MET  31  15.645  -2.034  13.964
  200   1HB   MET  31          2HB       MET  31  15.747  -3.639  16.017
  201   2HB   MET  31          1HB       MET  31  16.363  -4.838  14.905
  202   1HG   MET  31          2HG       MET  31  17.958  -2.588  14.377
  203   2HG   MET  31          1HG       MET  31  17.686  -2.512  16.088
  204   1HE   MET  31          1HE       MET  31  20.176  -5.566  13.820
  205   2HE   MET  31          2HE       MET  31  19.619  -4.012  13.227
  206   3HE   MET  31          3HE       MET  31  18.478  -5.365  13.435
  207    H    SER  32           H        SER  32  14.139  -4.086  11.973
  208    HA   SER  32           HA       SER  32  16.347  -5.242  10.575
  209   1HB   SER  32          2HB       SER  32  13.430  -4.813   9.894
  210   2HB   SER  32          1HB       SER  32  14.529  -5.586   8.734
  211    HG   SER  32           HG       SER  32  14.558  -7.282   9.932
  212    H    ASP  33           H        ASP  33  15.713  -2.079  10.796
  213    HA   ASP  33           HA       ASP  33  16.212  -1.352   8.022
  214   1HB   ASP  33          2HB       ASP  33  15.846   0.824   8.802
  215   2HB   ASP  33          1HB       ASP  33  14.673  -0.180   9.580
  216    H    GLU  34           H        GLU  34  17.811  -2.212  10.839
  217    HA   GLU  34           HA       GLU  34  20.387  -1.090  10.029
  218   1HB   GLU  34          2HB       GLU  34  18.987  -1.694  12.605
  219   2HB   GLU  34          1HB       GLU  34  20.709  -1.551  12.568
  220   1HG   GLU  34          2HG       GLU  34  18.571   0.554  12.144
  221   2HG   GLU  34          1HG       GLU  34  19.946   0.672  13.189
  222    H    VAL  35           H        VAL  35  19.012  -3.460   9.137
  223    HA   VAL  35           HA       VAL  35  20.946  -5.470   9.835
  224    HB   VAL  35           HB       VAL  35  18.404  -5.428  10.512
  225   1HG1  VAL  35          1HG1      VAL  35  17.766  -5.836   8.105
  226   2HG1  VAL  35          2HG1      VAL  35  17.127  -7.021   9.246
  227   3HG1  VAL  35          3HG1      VAL  35  18.527  -7.418   8.249
  228   1HG2  VAL  35          1HG2      VAL  35  18.701  -7.700  11.297
  229   2HG2  VAL  35          2HG2      VAL  35  20.257  -6.901  11.395
  230   3HG2  VAL  35          3HG2      VAL  35  19.924  -8.016  10.080
  231    H    GLY  36           H        GLY  36  20.895  -7.176   8.320
  232   1HA   GLY  36          2HA       GLY  36  21.442  -8.097   6.285
  233   2HA   GLY  36          1HA       GLY  36  20.174  -7.050   5.645
  234    H    CYS  37           H        CYS  37  22.396  -5.306   7.194
  235    HA   CYS  37           HA       CYS  37  23.390  -3.914   4.987
  236   1HB   CYS  37          2HB       CYS  37  22.991  -3.000   7.118
  237   2HB   CYS  37          1HB       CYS  37  24.383  -3.881   7.686
  238    H    VAL  38           H        VAL  38  25.341  -5.464   7.463
  239    HA   VAL  38           HA       VAL  38  27.235  -6.525   5.447
  240    HB   VAL  38           HB       VAL  38  27.940  -5.548   8.275
  241   1HG1  VAL  38          1HG1      VAL  38  30.272  -5.507   7.383
  242   2HG1  VAL  38          2HG1      VAL  38  29.693  -6.043   5.814
  243   3HG1  VAL  38          3HG1      VAL  38  29.592  -7.110   7.203
  244   1HG2  VAL  38          1HG2      VAL  38  28.938  -3.509   7.073
  245   2HG2  VAL  38          2HG2      VAL  38  27.187  -3.553   7.153
  246   3HG2  VAL  38          3HG2      VAL  38  28.008  -3.987   5.662
  247    H    ASN  39           H        ASN  39  25.118  -7.810   6.090
  248    HA   ASN  39           HA       ASN  39  26.070 -10.260   7.339
  249   1HB   ASN  39          2HB       ASN  39  24.270 -10.318   9.119
  250   2HB   ASN  39          1HB       ASN  39  25.433  -9.036   9.392
  251   1HD2  ASN  39          1HD2      ASN  39  22.192  -9.613   9.485
  252   2HD2  ASN  39          2HD2      ASN  39  21.606  -8.052   9.170