*HEADER    TRANSFERASE                             25-JUL-06   2HTF              
*TITLE     THE SOLUTION STRUCTURE OF THE BRCT DOMAIN FROM HUMAN                  
*TITLE    2 POLYMERASE REVEALS HOMOLOGY WITH THE TDT BRCT DOMAIN                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA POLYMERASE MU;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: BRCT DOMAIN;                                               
*COMPND   5 SYNONYM: POL MU;                                                     
*COMPND   6 EC: 2.7.7.7;                                                         
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: POLM;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    BRCT DOMAIN, ALPHA-BETA-ALPHA SANDWICH                                
*EXPDTA    NMR, 11 STRUCTURES                                                    
*AUTHOR    E.F.DEROSE, M.W.CLARKSON, S.A.GILMORE, D.A.RAMSDEN,                   
*AUTHOR   2 G.A.MUELLER, R.E.LONDON, A.L.LEE                                     
*REVDAT   1   27-FEB-07 2HTF    0                                                


! pol mu brct domain hbonds, EFD 2005-05-12 

! alpha helices H-BOND constraints
! helix1
assign (resid  22 and name o ) 
       (resid  26 and name hn )  2.0 0.7 0.5
assign (resid  22 and name o ) 
       (resid  26 and name n )  3.0 0.7 0.5
assign (resid  23 and name o ) 
       (resid  27 and name hn )  2.0 0.7 0.5
assign (resid  23 and name o ) 
       (resid  27 and name n )  3.0 0.7 0.5
assign (resid  24 and name o ) 
       (resid  28 and name hn )  2.0 0.7 0.5
assign (resid  24 and name o ) 
       (resid  28 and name n )  3.0 0.7 0.5
assign (resid  25 and name o ) 
       (resid  29 and name hn )  2.0 0.7 0.5
assign (resid  25 and name o ) 
       (resid  29 and name n )  3.0 0.7 0.5
assign (resid  26 and name o ) 
       (resid  30 and name hn )  2.0 0.7 0.5
assign (resid  26 and name o ) 
       (resid  30 and name n )  3.0 0.7 0.5
assign (resid  27 and name o ) 
       (resid  31 and name hn )  2.0 0.7 0.5
assign (resid  27 and name o ) 
       (resid  31 and name n )  3.0 0.7 0.5
assign (resid  28 and name o ) 
       (resid  32 and name hn )  2.0 0.7 0.5
assign (resid  28 and name o ) 
       (resid  32 and name n )  3.0 0.7 0.5
assign (resid  29 and name o ) 
       (resid  33 and name hn )  2.0 0.7 0.5
assign (resid  29 and name o ) 
       (resid  33 and name n )  3.0 0.7 0.5
assign (resid  30 and name o ) 
       (resid  34 and name hn )  2.0 0.7 0.5
assign (resid  30 and name o ) 
       (resid  34 and name n )  3.0 0.7 0.5

! helix2
assign (resid  57 and name o ) 
       (resid  61 and name hn )  2.0 0.7 0.5
assign (resid  57 and name o ) 
       (resid  61 and name n )  3.0 0.7 0.5
assign (resid  58 and name o ) 
       (resid  62 and name hn )  2.0 0.7 0.5
assign (resid  58 and name o ) 
       (resid  62 and name n )  3.0 0.7 0.5
assign (resid  59 and name o ) 
       (resid  63 and name hn )  2.0 0.7 0.5
assign (resid  59 and name o ) 
       (resid  63 and name n )  3.0 0.7 0.5
assign (resid  60 and name o ) 
       (resid  64 and name hn )  2.0 0.7 0.5
assign (resid  60 and name o ) 
       (resid  64 and name n )  3.0 0.7 0.5
assign (resid  61 and name o ) 
       (resid  65 and name hn )  2.0 0.7 0.5
assign (resid  61 and name o ) 
       (resid  65 and name n )  3.0 0.7 0.5
assign (resid  62 and name o ) 
       (resid  66 and name hn )  2.0 0.7 0.5
assign (resid  62 and name o ) 
       (resid  66 and name n )  3.0 0.7 0.5
assign (resid  63 and name o ) 
       (resid  67 and name hn )  2.0 0.7 0.5
assign (resid  63 and name o ) 
       (resid  67 and name n )  3.0 0.7 0.5
assign (resid  64 and name o ) 
       (resid  68 and name hn )  2.0 0.7 0.5
assign (resid  64 and name o ) 
       (resid  68 and name n )  3.0 0.7 0.5

! helix3
!assign (resid  84 and name o ) 
!       (resid  88 and name hn )  2.0 0.7 0.5
!assign (resid  84 and name o ) 
!       (resid  88 and name n )  3.0 0.7 0.5
assign (resid  85 and name o ) 
       (resid  89 and name hn )  2.0 0.7 0.5
assign (resid  85 and name o ) 
       (resid  89 and name n )  3.0 0.7 0.5
assign (resid  86 and name o ) 
       (resid  90 and name hn )  2.0 0.7 0.5
assign (resid  86 and name o ) 
       (resid  90 and name n )  3.0 0.7 0.5
assign (resid  87 and name o ) 
       (resid  91 and name hn )  2.0 0.7 0.5
assign (resid  87 and name o ) 
       (resid  91 and name n )  3.0 0.7 0.5
assign (resid  88 and name o ) 
       (resid  92 and name hn )  2.0 0.7 0.5
assign (resid  88 and name o ) 
       (resid  92 and name n )  3.0 0.7 0.5

! beta sheet H-Bonds

!assign  (resid  11 and name o)
!        (resid  38 and name hn) 2.0 0.7 0.5
!assign  (resid  11 and name o)
!        (resid  38 and name n) 3.0 0.7 0.5

!assign  (resid  38 and name o)
!        (resid  13 and name hn) 2.0 0.7 0.5
!assign  (resid  38 and name o)
!        (resid  13 and name n) 3.0 0.7 0.5

!assign  (resid  13 and name o)
!        (resid  40 and name hn) 2.0 0.7 0.5
!assign  (resid  13 and name o)
!        (resid  40 and name n) 3.0 0.7 0.5

!assign  (resid  12 and name o)
!        (resid  48 and name hn) 2.0 0.7 0.5
!assign  (resid  12 and name o)
!        (resid  48 and name n) 3.0 0.7 0.5

!assign  (resid  49 and name o)
!        (resid  14 and name hn) 2.0 0.7 0.5
!assign  (resid  49 and name o)
!        (resid  14 and name n) 3.0 0.7 0.5

!assign  (resid  50 and name o)
!        (resid  81 and name hn) 2.0 0.7 0.5
!assign  (resid  50 and name o)
!        (resid  81 and name n) 3.0 0.7 0.5

!assign  (resid  52 and name o)
!        (resid  83 and name hn) 2.0 0.7 0.5
!assign  (resid  52 and name o)
!        (resid  83 and name n) 3.0 0.7 0.5
! Talos Database predictions rerun by GM 030399
! Chemical shifts corrected for deuteration HVIL labeling
! Talos recompiled without mbp in database.

! PHI restraints from Luginbuehl et al., JMR B 109(1995):229-233 
! Helix: -120...-20 = -70.0 50.0 2 
! Sheet: 160...180...-80 = -140.0 60.0 2 
! PSI restraints --- see note above 
! Helix: -100...0 = -50.0 50.0 2 
! Sheet: 40.0...180.0...-140.0 = 130.0 90.0 2 

!Talos predictions take precedance.

! Resdiue T 2 DATABASE
assign (resid 1 and name C  )(resid 2 and name N  )
       (resid 2 and name CA )(resid 2 and name C  ) 1.0 -101.57 36.68 2
assign (resid 2 and name N  )(resid 2 and name CA )
       (resid 2 and name C  )(resid 3 and name N  ) 1.0 131.99 35.48 2

! Resdiue P 3 DATABASE
assign (resid 2 and name C  )(resid 3 and name N  )
       (resid 3 and name CA )(resid 3 and name C  ) 1.0 -67.65 33.76 2
assign (resid 3 and name N  )(resid 3 and name CA )
       (resid 3 and name C  )(resid 4 and name N  ) 1.0 140.73 29.58 2

! Resdiue V 11 DATABASE
assign (resid 10 and name C  )(resid 11 and name N  )
       (resid 11 and name CA )(resid 11 and name C  ) 1.0 -97.60 28.14 2
assign (resid 11 and name N  )(resid 11 and name CA )
       (resid 11 and name C  )(resid 12 and name N  ) 1.0 133.86 25.74 2

! Resid A 12 --- strand CSI
assign (resid 11 and name C  )(resid 12 and name N )
       (resid 12 and name CA )(resid 12 and name C ) 1.0 -140.0 60.0 2
assign (resid 12 and name N  )(resid 12 and name CA )
       (resid 12 and name C  )(resid 13 and name N ) 1.0 130.0 90.0 2

! Resdiue I 13 DATABASE
assign (resid 12 and name C  )(resid 13 and name N  )
       (resid 13 and name CA )(resid 13 and name C  ) 1.0 -118.89 22.00 2
assign (resid 13 and name N  )(resid 13 and name CA )
       (resid 13 and name C  )(resid 14 and name N  ) 1.0 137.68 24.86 2

! Resdiue Y 14 DATABASE
assign (resid 13 and name C  )(resid 14 and name N  )
       (resid 14 and name CA )(resid 14 and name C  ) 1.0 -129.74 20.00 2
assign (resid 14 and name N  )(resid 14 and name CA )
       (resid 14 and name C  )(resid 15 and name N  ) 1.0 129.31 30.04 2

! Resdiue L 15 DATABASE
assign (resid 14 and name C  )(resid 15 and name N  )
       (resid 15 and name CA )(resid 15 and name C  ) 1.0 -104.59 47.14 2
assign (resid 15 and name N  )(resid 15 and name CA )
       (resid 15 and name C  )(resid 16 and name N  ) 1.0 122.46 31.88 2

! Resdiue E 17 DATABASE
assign (resid 16 and name C  )(resid 17 and name N  )
       (resid 17 and name CA )(resid 17 and name C  ) 1.0 -64.06 22.72 2
assign (resid 17 and name N  )(resid 17 and name CA )
       (resid 17 and name C  )(resid 18 and name N  ) 1.0 -33.95 21.34 2

! Resdiue R 22 DATABASE
assign (resid 21 and name C  )(resid 22 and name N  )
       (resid 22 and name CA )(resid 22 and name C  ) 1.0 -57.97 20.00 2
assign (resid 22 and name N  )(resid 22 and name CA )
       (resid 22 and name C  )(resid 23 and name N  ) 1.0 -37.30 21.74 2

! Resdiue S 23 DATABASE
assign (resid 22 and name C  )(resid 23 and name N  )
       (resid 23 and name CA )(resid 23 and name C  ) 1.0 -66.13 20.00 2
assign (resid 23 and name N  )(resid 23 and name CA )
       (resid 23 and name C  )(resid 24 and name N  ) 1.0 -35.85 20.00 2

! Resdiue R 24 DATABASE
assign (resid 23 and name C  )(resid 24 and name N  )
       (resid 24 and name CA )(resid 24 and name C  ) 1.0 -66.73 20.00 2
assign (resid 24 and name N  )(resid 24 and name CA )
       (resid 24 and name C  )(resid 25 and name N  ) 1.0 -41.87 20.00 2

! Resdiue R 25 DATABASE
assign (resid 24 and name C  )(resid 25 and name N  )
       (resid 25 and name CA )(resid 25 and name C  ) 1.0 -63.38 20.00 2
assign (resid 25 and name N  )(resid 25 and name CA )
       (resid 25 and name C  )(resid 26 and name N  ) 1.0 -38.94 20.00 2

! Resdiue A 26 DATABASE
assign (resid 25 and name C  )(resid 26 and name N  )
       (resid 26 and name CA )(resid 26 and name C  ) 1.0 -65.06 20.00 2
assign (resid 26 and name N  )(resid 26 and name CA )
       (resid 26 and name C  )(resid 27 and name N  ) 1.0 -40.27 20.00 2

! Resdiue F 27 DATABASE
assign (resid 26 and name C  )(resid 27 and name N  )
       (resid 27 and name CA )(resid 27 and name C  ) 1.0 -69.06 20.00 2
assign (resid 27 and name N  )(resid 27 and name CA )
       (resid 27 and name C  )(resid 28 and name N  ) 1.0 -38.88 20.00 2

! Resdiue L 28 DATABASE
assign (resid 27 and name C  )(resid 28 and name N  )
       (resid 28 and name CA )(resid 28 and name C  ) 1.0 -63.96 20.00 2
assign (resid 28 and name N  )(resid 28 and name CA )
       (resid 28 and name C  )(resid 29 and name N  ) 1.0 -41.76 20.00 2

! Resdiue T 29 DATABASE
assign (resid 28 and name C  )(resid 29 and name N  )
       (resid 29 and name CA )(resid 29 and name C  ) 1.0 -62.87 20.00 2
assign (resid 29 and name N  )(resid 29 and name CA )
       (resid 29 and name C  )(resid 30 and name N  ) 1.0 -43.16 20.00 2

! Resdiue G 30 DATABASE
assign (resid 29 and name C  )(resid 30 and name N  )
       (resid 30 and name CA )(resid 30 and name C  ) 1.0 -64.25 20.00 2
assign (resid 30 and name N  )(resid 30 and name CA )
       (resid 30 and name C  )(resid 31 and name N  ) 1.0 -38.73 20.00 2

! Resdiue L 31 DATABASE
assign (resid 30 and name C  )(resid 31 and name N  )
       (resid 31 and name CA )(resid 31 and name C  ) 1.0 -66.60 20.00 2
assign (resid 31 and name N  )(resid 31 and name CA )
       (resid 31 and name C  )(resid 32 and name N  ) 1.0 -37.65 20.00 2

! Resdiue A 32 DATABASE
assign (resid 31 and name C  )(resid 32 and name N  )
       (resid 32 and name CA )(resid 32 and name C  ) 1.0 -64.09 20.00 2
assign (resid 32 and name N  )(resid 32 and name CA )
       (resid 32 and name C  )(resid 33 and name N  ) 1.0 -40.26 20.00 2

! Resdiue R 33 DATABASE
assign (resid 32 and name C  )(resid 33 and name N  )
       (resid 33 and name CA )(resid 33 and name C  ) 1.0 -62.98 20.00 2
assign (resid 33 and name N  )(resid 33 and name CA )
       (resid 33 and name C  )(resid 34 and name N  ) 1.0 -37.01 20.00 2

! Resdiue S 34 DATABASE
assign (resid 33 and name C  )(resid 34 and name N  )
       (resid 34 and name CA )(resid 34 and name C  ) 1.0 -64.95 20.00 2
assign (resid 34 and name N  )(resid 34 and name CA )
       (resid 34 and name C  )(resid 35 and name N  ) 1.0 -26.58 29.48 2

! Resid G 36 --- strand CSI
assign (resid 35 and name C  )(resid 36 and name N )
       (resid 36 and name CA )(resid 36 and name C ) 1.0 -140.0 60.0 2
assign (resid 36 and name N  )(resid 36 and name CA )
       (resid 36 and name C  )(resid 37 and name N ) 1.0 130.0 90.0 2

! Resid F 37 --- strand CSI
assign (resid 36 and name C  )(resid 37 and name N )
       (resid 37 and name CA )(resid 37 and name C ) 1.0 -140.0 60.0 2
assign (resid 37 and name N  )(resid 37 and name CA )
       (resid 37 and name C  )(resid 38 and name N ) 1.0 130.0 90.0 2

! Resid R 38 --- strand CSI
assign (resid 37 and name C  )(resid 38 and name N )
       (resid 38 and name CA )(resid 38 and name C ) 1.0 -140.0 60.0 2
assign (resid 38 and name N  )(resid 38 and name CA )
       (resid 38 and name C  )(resid 39 and name N ) 1.0 130.0 90.0 2

! Resdiue V 39 DATABASE
assign (resid 38 and name C  )(resid 39 and name N  )
       (resid 39 and name CA )(resid 39 and name C  ) 1.0 -112.62 34.02 2
assign (resid 39 and name N  )(resid 39 and name CA )
       (resid 39 and name C  )(resid 40 and name N  ) 1.0 124.19 20.00 2

! Resdiue L 40 DATABASE
assign (resid 39 and name C  )(resid 40 and name N  )
       (resid 40 and name CA )(resid 40 and name C  ) 1.0 -99.51 35.10 2
assign (resid 40 and name N  )(resid 40 and name CA )
       (resid 40 and name C  )(resid 41 and name N  ) 1.0 126.82 29.46 2

! Resid D 41 --- strand CSI
assign (resid 40 and name C  )(resid 41 and name N )
       (resid 41 and name CA )(resid 41 and name C ) 1.0 -140.0 60.0 2
assign (resid 41 and name N  )(resid 41 and name CA )
       (resid 41 and name C  )(resid 42 and name N ) 1.0 130.0 90.0 2

! Resdiue A 42 DATABASE
assign (resid 41 and name C  )(resid 42 and name N  )
       (resid 42 and name CA )(resid 42 and name C  ) 1.0 -120.36 41.28 2
assign (resid 42 and name N  )(resid 42 and name CA )
       (resid 42 and name C  )(resid 43 and name N  ) 1.0 151.90 36.88 2

! Resdiue S 45 DATABASE
assign (resid 44 and name C  )(resid 45 and name N  )
       (resid 45 and name CA )(resid 45 and name C  ) 1.0 -73.17 29.16 2
assign (resid 45 and name N  )(resid 45 and name CA )
       (resid 45 and name C  )(resid 46 and name N  ) 1.0 -20.56 25.98 2

! Resdiue E 46 DATABASE
assign (resid 45 and name C  )(resid 46 and name N  )
       (resid 46 and name CA )(resid 46 and name C  ) 1.0 -85.57 38.42 2
assign (resid 46 and name N  )(resid 46 and name CA )
       (resid 46 and name C  )(resid 47 and name N  ) 1.0 -17.61 44.24 2

! Resid T 48 --- strand CSI
assign (resid 47 and name C  )(resid 48 and name N )
       (resid 48 and name CA )(resid 48 and name C ) 1.0 -140.0 60.0 2
assign (resid 48 and name N  )(resid 48 and name CA )
       (resid 48 and name C  )(resid 49 and name N ) 1.0 130.0 90.0 2

! Resid H 49 --- strand CSI
assign (resid 48 and name C  )(resid 49 and name N )
       (resid 49 and name CA )(resid 49 and name C ) 1.0 -140.0 60.0 2
assign (resid 49 and name N  )(resid 49 and name CA )
       (resid 49 and name C  )(resid 50 and name N ) 1.0 130.0 90.0 2

! Resdiue V 50 DATABASE
assign (resid 49 and name C  )(resid 50 and name N  )
       (resid 50 and name CA )(resid 50 and name C  ) 1.0 -115.28 23.12 2
assign (resid 50 and name N  )(resid 50 and name CA )
       (resid 50 and name C  )(resid 51 and name N  ) 1.0 126.55 27.84 2

! Resdiue V 51 DATABASE
assign (resid 50 and name C  )(resid 51 and name N  )
       (resid 51 and name CA )(resid 51 and name C  ) 1.0 -117.84 21.24 2
assign (resid 51 and name N  )(resid 51 and name CA )
       (resid 51 and name C  )(resid 52 and name N  ) 1.0 131.27 29.06 2

! Resdiue M 52 DATABASE
assign (resid 51 and name C  )(resid 52 and name N  )
       (resid 52 and name CA )(resid 52 and name C  ) 1.0 -125.74 26.14 2
assign (resid 52 and name N  )(resid 52 and name CA )
       (resid 52 and name C  )(resid 53 and name N  ) 1.0 136.38 30.32 2

! Resdiue E 53 DATABASE
assign (resid 52 and name C  )(resid 53 and name N  )
       (resid 53 and name CA )(resid 53 and name C  ) 1.0 -124.26 57.50 2
assign (resid 53 and name N  )(resid 53 and name CA )
       (resid 53 and name C  )(resid 54 and name N  ) 1.0 147.52 30.94 2

! Resdiue T 55 DATABASE
assign (resid 54 and name C  )(resid 55 and name N  )
       (resid 55 and name CA )(resid 55 and name C  ) 1.0 -115.94 47.20 2
assign (resid 55 and name N  )(resid 55 and name CA )
       (resid 55 and name C  )(resid 56 and name N  ) 1.0 138.38 47.10 2

! Resdiue S 56 DATABASE
assign (resid 55 and name C  )(resid 56 and name N  )
       (resid 56 and name CA )(resid 56 and name C  ) 1.0 -92.50 51.96 2
assign (resid 56 and name N  )(resid 56 and name CA )
       (resid 56 and name C  )(resid 57 and name N  ) 1.0 154.63 46.46 2

! Resdiue A 57 DATABASE
assign (resid 56 and name C  )(resid 57 and name N  )
       (resid 57 and name CA )(resid 57 and name C  ) 1.0 -60.66 20.00 2
assign (resid 57 and name N  )(resid 57 and name CA )
       (resid 57 and name C  )(resid 58 and name N  ) 1.0 -39.54 21.24 2

! Resdiue E 58 DATABASE
assign (resid 57 and name C  )(resid 58 and name N  )
       (resid 58 and name CA )(resid 58 and name C  ) 1.0 -63.27 20.00 2
assign (resid 58 and name N  )(resid 58 and name CA )
       (resid 58 and name C  )(resid 59 and name N  ) 1.0 -43.24 20.00 2

! Resdiue E 59 DATABASE
assign (resid 58 and name C  )(resid 59 and name N  )
       (resid 59 and name CA )(resid 59 and name C  ) 1.0 -65.42 20.00 2
assign (resid 59 and name N  )(resid 59 and name CA )
       (resid 59 and name C  )(resid 60 and name N  ) 1.0 -40.17 20.00 2

! Resdiue A 60 DATABASE
assign (resid 59 and name C  )(resid 60 and name N  )
       (resid 60 and name CA )(resid 60 and name C  ) 1.0 -66.16 20.00 2
assign (resid 60 and name N  )(resid 60 and name CA )
       (resid 60 and name C  )(resid 61 and name N  ) 1.0 -42.14 20.00 2

! Resdiue V 61 DATABASE
assign (resid 60 and name C  )(resid 61 and name N  )
       (resid 61 and name CA )(resid 61 and name C  ) 1.0 -62.70 20.00 2
assign (resid 61 and name N  )(resid 61 and name CA )
       (resid 61 and name C  )(resid 62 and name N  ) 1.0 -45.59 22.36 2

! Resdiue S 62 DATABASE
assign (resid 61 and name C  )(resid 62 and name N  )
       (resid 62 and name CA )(resid 62 and name C  ) 1.0 -63.52 20.00 2
assign (resid 62 and name N  )(resid 62 and name CA )
       (resid 62 and name C  )(resid 63 and name N  ) 1.0 -38.65 20.00 2

! Resdiue W 63 DATABASE
assign (resid 62 and name C  )(resid 63 and name N  )
       (resid 63 and name CA )(resid 63 and name C  ) 1.0 -67.42 20.00 2
assign (resid 63 and name N  )(resid 63 and name CA )
       (resid 63 and name C  )(resid 64 and name N  ) 1.0 -43.52 20.00 2

! Resdiue Q 64 DATABASE
assign (resid 63 and name C  )(resid 64 and name N  )
       (resid 64 and name CA )(resid 64 and name C  ) 1.0 -64.27 20.00 2
assign (resid 64 and name N  )(resid 64 and name CA )
       (resid 64 and name C  )(resid 65 and name N  ) 1.0 -39.97 20.00 2

! Resdiue E 65 DATABASE
assign (resid 64 and name C  )(resid 65 and name N  )
       (resid 65 and name CA )(resid 65 and name C  ) 1.0 -67.98 20.00 2
assign (resid 65 and name N  )(resid 65 and name CA )
       (resid 65 and name C  )(resid 66 and name N  ) 1.0 -39.39 20.00 2

! Resdiue R 66 DATABASE
assign (resid 65 and name C  )(resid 66 and name N  )
       (resid 66 and name CA )(resid 66 and name C  ) 1.0 -64.38 20.00 2
assign (resid 66 and name N  )(resid 66 and name CA )
       (resid 66 and name C  )(resid 67 and name N  ) 1.0 -41.53 20.00 2

! Resdiue R 67 DATABASE
assign (resid 66 and name C  )(resid 67 and name N  )
       (resid 67 and name CA )(resid 67 and name C  ) 1.0 -64.52 20.00 2
assign (resid 67 and name N  )(resid 67 and name CA )
       (resid 67 and name C  )(resid 68 and name N  ) 1.0 -38.61 20.00 2

! Resdiue M 68 DATABASE
assign (resid 67 and name C  )(resid 68 and name N  )
       (resid 68 and name CA )(resid 68 and name C  ) 1.0 -65.56 20.00 2
assign (resid 68 and name N  )(resid 68 and name CA )
       (resid 68 and name C  )(resid 69 and name N  ) 1.0 -38.43 20.00 2

! Resdiue A 69 DATABASE
assign (resid 68 and name C  )(resid 69 and name N  )
       (resid 69 and name CA )(resid 69 and name C  ) 1.0 -72.98 20.00 2
assign (resid 69 and name N  )(resid 69 and name CA )
       (resid 69 and name C  )(resid 70 and name N  ) 1.0 -31.25 22.24 2

! Resdiue A 71 DATABASE
assign (resid 70 and name C  )(resid 71 and name N  )
       (resid 71 and name CA )(resid 71 and name C  ) 1.0 -76.63 23.20 2
assign (resid 71 and name N  )(resid 71 and name CA )
       (resid 71 and name C  )(resid 72 and name N  ) 1.0 142.38 29.04 2

! Resdiue C 75 DATABASE
assign (resid 74 and name C  )(resid 75 and name N  )
       (resid 75 and name CA )(resid 75 and name C  ) 1.0 -85.27 48.34 2
assign (resid 75 and name N  )(resid 75 and name CA )
       (resid 75 and name C  )(resid 76 and name N  ) 1.0 136.20 35.44 2

! Resdiue T 76 DATABASE
assign (resid 75 and name C  )(resid 76 and name N  )
       (resid 76 and name CA )(resid 76 and name C  ) 1.0 -93.04 61.98 2
assign (resid 76 and name N  )(resid 76 and name CA )
       (resid 76 and name C  )(resid 77 and name N  ) 1.0 132.85 36.78 2

! Resdiue L 80 DATABASE
assign (resid 79 and name C  )(resid 80 and name N  )
       (resid 80 and name CA )(resid 80 and name C  ) 1.0 -95.53 25.50 2
assign (resid 80 and name N  )(resid 80 and name CA )
       (resid 80 and name C  )(resid 81 and name N  ) 1.0 120.30 25.54 2

! Resdiue L 81 DATABASE
assign (resid 80 and name C  )(resid 81 and name N  )
       (resid 81 and name CA )(resid 81 and name C  ) 1.0 -131.19 49.56 2
assign (resid 81 and name N  )(resid 81 and name CA )
       (resid 81 and name C  )(resid 82 and name N  ) 1.0 151.20 40.50 2

! Resdiue D 82 DATABASE
assign (resid 81 and name C  )(resid 82 and name N  )
       (resid 82 and name CA )(resid 82 and name C  ) 1.0 -136.18 31.88 2
assign (resid 82 and name N  )(resid 82 and name CA )
       (resid 82 and name C  )(resid 83 and name N  ) 1.0 149.10 37.24 2

! Resdiue I 83 DATABASE
assign (resid 82 and name C  )(resid 83 and name N  )
       (resid 83 and name CA )(resid 83 and name C  ) 1.0 -92.69 38.66 2

! Resdiue S 84 DATABASE
assign (resid 84 and name N  )(resid 84 and name CA )
       (resid 84 and name C  )(resid 85 and name N  ) 1.0 -35.21 20.00 2

! Resdiue W 85 DATABASE
assign (resid 84 and name C  )(resid 85 and name N  )
       (resid 85 and name CA )(resid 85 and name C  ) 1.0 -64.73 20.00 2
assign (resid 85 and name N  )(resid 85 and name CA )
       (resid 85 and name C  )(resid 86 and name N  ) 1.0 -47.07 20.00 2

! Resdiue L 86 DATABASE
assign (resid 85 and name C  )(resid 86 and name N  )
       (resid 86 and name CA )(resid 86 and name C  ) 1.0 -61.28 20.00 2
assign (resid 86 and name N  )(resid 86 and name CA )
       (resid 86 and name C  )(resid 87 and name N  ) 1.0 -44.86 20.00 2

! Resdiue T 87 DATABASE
assign (resid 86 and name C  )(resid 87 and name N  )
       (resid 87 and name CA )(resid 87 and name C  ) 1.0 -63.57 20.00 2
assign (resid 87 and name N  )(resid 87 and name CA )
       (resid 87 and name C  )(resid 88 and name N  ) 1.0 -39.23 20.00 2

! Resdiue E 88 DATABASE
assign (resid 87 and name C  )(resid 88 and name N  )
       (resid 88 and name CA )(resid 88 and name C  ) 1.0 -63.40 20.00 2
assign (resid 88 and name N  )(resid 88 and name CA )
       (resid 88 and name C  )(resid 89 and name N  ) 1.0 -40.99 20.00 2

! Resdiue S 89 DATABASE
assign (resid 88 and name C  )(resid 89 and name N  )
       (resid 89 and name CA )(resid 89 and name C  ) 1.0 -63.71 20.00 2
assign (resid 89 and name N  )(resid 89 and name CA )
       (resid 89 and name C  )(resid 90 and name N  ) 1.0 -43.00 20.00 2

! Resdiue L 90 DATABASE
assign (resid 89 and name C  )(resid 90 and name N  )
       (resid 90 and name CA )(resid 90 and name C  ) 1.0 -62.96 20.00 2
assign (resid 90 and name N  )(resid 90 and name CA )
       (resid 90 and name C  )(resid 91 and name N  ) 1.0 -39.18 20.00 2

! Resdiue G 91 DATABASE
assign (resid 90 and name C  )(resid 91 and name N  )
       (resid 91 and name CA )(resid 91 and name C  ) 1.0 -65.30 23.32 2
assign (resid 91 and name N  )(resid 91 and name CA )
       (resid 91 and name C  )(resid 92 and name N  ) 1.0 -32.02 20.00 2

! Resdiue A 92 DATABASE
assign (resid 91 and name C  )(resid 92 and name N  )
       (resid 92 and name CA )(resid 92 and name C  ) 1.0 -90.34 32.40 2
assign (resid 92 and name N  )(resid 92 and name CA )
       (resid 92 and name C  )(resid 93 and name N  ) 1.0 -2.85 30.10 2

! Resdiue Q 94 DATABASE
assign (resid 93 and name C  )(resid 94 and name N  )
       (resid 94 and name CA )(resid 94 and name C  ) 1.0 -104.93 60.54 2
assign (resid 94 and name N  )(resid 94 and name CA )
       (resid 94 and name C  )(resid 95 and name N  ) 1.0 148.01 27.56 2

! Resdiue V 96 DATABASE
assign (resid 95 and name C  )(resid 96 and name N  )
       (resid 96 and name CA )(resid 96 and name C  ) 1.0 -86.98 40.72 2
assign (resid 96 and name N  )(resid 96 and name CA )
       (resid 96 and name C  )(resid 97 and name N  ) 1.0 141.81 41.02 2

! Resdiue E 99 DATABASE
assign (resid 98 and name C  )(resid 99 and name N  )
       (resid 99 and name CA )(resid 99 and name C  ) 1.0 -108.24 48.90 2
assign (resid 99 and name N  )(resid 99 and name CA )
       (resid 99 and name C  )(resid 100 and name N  ) 1.0 161.69 20.14 2

! Resdiue C 100 DATABASE
assign (resid 99 and name C  )(resid 100 and name N  )
       (resid 100 and name CA )(resid 100 and name C  ) 1.0 -58.58 20.00 2
assign (resid 100 and name N  )(resid 100 and name CA )
       (resid 100 and name C  )(resid 101 and name N  ) 1.0 -42.14 20.00 2

! Resdiue R 101 DATABASE
assign (resid 100 and name C  )(resid 101 and name N  )
       (resid 101 and name CA )(resid 101 and name C  ) 1.0 -69.56 26.94 2
assign (resid 101 and name N  )(resid 101 and name CA )
       (resid 101 and name C  )(resid 102 and name N  ) 1.0 -26.60 33.58 2

! Resdiue H 102 DATABASE
assign (resid 101 and name C  )(resid 102 and name N  )
       (resid 102 and name CA )(resid 102 and name C  ) 1.0 -83.44 50.42 2
assign (resid 102 and name N  )(resid 102 and name CA )
       (resid 102 and name C  )(resid 103 and name N  ) 1.0 -31.51 39.62 2

! Resdiue R 103 DATABASE
assign (resid 102 and name C  )(resid 103 and name N  )
       (resid 103 and name CA )(resid 103 and name C  ) 1.0 -94.46 35.38 2
assign (resid 103 and name N  )(resid 103 and name CA )
       (resid 103 and name C  )(resid 104 and name N  ) 1.0 -12.87 36.90 2

 assign (resid 39 and name HG1#) (resid 13 and name HN) 5.500 4.2 0.0 !   pmu_brct_C_mothernoesy_100804.3328
 assign (resid 13 and name HG2#) (resid 39 and name HN) 5.500 4.2 0.0 !   pmu_brct_C_mothernoesy_100804.4477
 assign (resid 39 and name HG1#) (resid 32 and name HN) 5.500 4.2 0.0 !   pmu_brct_C_mothernoesy_100804.4433
 assi    (  resid 95   and name HB# )   (  resid 97   and name HD# )      3.650     1.850     1.850
 assi    (  resid 20   and name HB# )   (  resid 20   and name HG# )      2.360     0.560     0.560
 assi    (  resid 96   and name HB  )   (  resid 97   and name HD# )      3.520     1.720     1.720
 assi    (  resid 12   and name HB# )   (  resid 47   and name HA  )      2.265     0.465     0.465
 assi    (  resid 40   and name HD# )   (  resid 47   and name HA  )      2.445     0.645     0.645
 assi    (  resid 62   and name HA  )   (  resid 65   and name HB# )      3.515     1.715     1.715
 assi    (  resid 35   and name HA  )   (  resid 35   and name HD# )      3.425     1.625     1.625
 assi    (  resid 35   and name HG# )   (  resid 35   and name HD# )      2.100     0.300     0.300
 assi    (  resid 58   and name HB# )   (  resid 58   and name HG# )      2.175     0.375     0.375
 assi    (  resid 94   and name HA  )   (  resid 95   and name HD# )      2.510     0.710     0.710
 assi    (  resid 13   and name HG2#)   (  resid 13   and name HG1#)      2.490     0.690     0.690
 assi    (  resid 60   and name HA  )   (  resid 63   and name HB# )      2.525     0.725     0.725
 assi    (  resid 92   and name HB# )   (  resid 94   and name HB# )      3.525     1.725     1.725
 assi    (  resid 92   and name HB# )   (  resid 94   and name HB# )      3.525     1.725     1.725
 assi    (  resid 83   and name HG2#)   (  resid 83   and name HG1#)      2.350     0.550     0.550
 assi    (  resid 83   and name HG2#)   (  resid 83   and name HG1#)      2.545     0.745     0.745
 assi    (  resid 68   and name HE# )   (  resid 75   and name HB# )      2.735     0.935     0.935
 assi    (  resid 63   and name HB# )   (  resid 66   and name HG# )      3.650     1.850     1.850
 assi    (  resid 38   and name HB# )   (  resid 38   and name HG# )      2.210     0.410     0.410
 assi    (  resid 11   and name HG1#)   (  resid 95   and name HG# )      3.650     1.850     1.850
 assi    (  resid 66   and name HB# )   (  resid 66   and name HG# )      2.100     0.300     0.300
 assi    (  resid 86   and name HB# )   (  resid 86   and name HG  )      2.400     0.600     0.600
 assi    (  resid 32   and name HB# )   (  resid 86   and name HG  )      3.650     1.850     1.850
 assi    (  resid 7    and name HB# )   (  resid 7    and name HG# )      2.100     0.300     0.300
 assi    (  resid 24   and name HB# )   (  resid 24   and name HG# )      2.100     0.300     0.300
 assi    (  resid 28   and name HG  )   (  resid 32   and name HB# )      3.650     1.850     1.850
 assi    (  resid 96   and name HA  )   (  resid 97   and name HD# )      2.370     0.570     0.570
 assi    (  resid 79   and name HB# )   (  resid 81   and name HD2#)      2.470     0.670     0.670
 assi    (  resid 71   and name HA  )   (  resid 72   and name HD# )      2.310     0.510     0.510
 assi    (  resid 71   and name HB# )   (  resid 72   and name HD# )      2.535     0.735     0.735
 assi    (  resid 71   and name HA  )   (  resid 72   and name HD# )      2.310     0.510     0.510
 assi    (  resid 71   and name HB# )   (  resid 72   and name HD# )      2.535     0.735     0.735
 assi    (  resid 68   and name HE# )   (  resid 78   and name HD# )      2.800     1.000     1.000
 assi    (  resid 35   and name HG# )   (  resid 90   and name HB# )      2.885     1.085     1.085
 assi    (  resid 15   and name HD# )   (  resid 32   and name HB# )      3.650     1.850     1.850
 assi    (  resid 15   and name HD# )   (  resid 83   and name HG2#)      3.650     1.850     1.850
 assi    (  resid 15   and name HD# )   (  resid 83   and name HD1#)      2.555     0.755     0.755
 assi    (  resid 15   and name HD# )   (  resid 28   and name HD2#)      2.170     0.370     0.370
 assi    (  resid 15   and name HD# )   (  resid 83   and name HA  )      3.650     1.850     1.850
 assi    (  resid 61   and name HA  )   (  resid 80   and name HG  )      3.275     1.475     1.475
 assi    (  resid 15   and name HA  )   (  resid 15   and name HD# )      2.505     0.705     0.705
 assi    (  resid 15   and name HB# )   (  resid 15   and name HD# )      2.320     0.520     0.520
 assi    (  resid 15   and name HD# )   (  resid 50   and name HA  )      3.650     1.850     1.850
 assi    (  resid 15   and name HD# )   (  resid 51   and name HA  )      3.650     1.850     1.850
 assi    (  resid 35   and name HG# )   (  resid 90   and name HB# )      3.530     1.730     1.730
 assi    (  resid 32   and name HA  )   (  resid 35   and name HG# )      3.525     1.725     1.725
 assi    (  resid 35   and name HA  )   (  resid 35   and name HG# )      2.885     1.085     1.085
 assi    (  resid 32   and name HA  )   (  resid 90   and name HD2#)      2.555     0.755     0.755
 assi    (  resid 90   and name HA  )   (  resid 90   and name HD2#)      2.615     0.815     0.815
 assi    (  resid 90   and name HB# )   (  resid 90   and name HD2#)      2.510     0.710     0.710
 assi    (  resid 86   and name HG  )   (  resid 90   and name HD2#)      2.825     1.025     1.025
 assi    (  resid 79   and name HB# )   (  resid 81   and name HD1#)      2.470     0.670     0.670
 assi    (  resid 28   and name HA  )   (  resid 31   and name HD# )      3.210     1.410     1.410
 assi    (  resid 31   and name HD# )   (  resid 35   and name HG# )      3.275     1.475     1.475
 assi    (  resid 55   and name HB  )   (  resid 60   and name HB# )      3.650     1.850     1.850
 assi    (  resid 58   and name HA  )   (  resid 61   and name HG2#)      2.510     0.710     0.710
 assi    (  resid 80   and name HA  )   (  resid 80   and name HD# )      2.470     0.670     0.670
 assi    (  resid 80   and name HB# )   (  resid 80   and name HD# )      2.545     0.745     0.745
 assi    (  resid 50   and name HA  )   (  resid 80   and name HD# )      3.650     1.850     1.850
 assi    (  resid 51   and name HA  )   (  resid 80   and name HD# )      3.650     1.850     1.850
 assi    (  resid 64   and name HA  )   (  resid 80   and name HD# )      3.650     1.850     1.850
 assi    (  resid 50   and name HB  )   (  resid 80   and name HD# )      2.740     0.940     0.940
 assi    (  resid 55   and name HG2#)   (  resid 80   and name HD# )      3.415     1.615     1.615
 assi    (  resid 61   and name HG2#)   (  resid 80   and name HD# )      2.450     0.650     0.650
 assi    (  resid 80   and name HB# )   (  resid 80   and name HD# )      2.545     0.745     0.745
 assi    (  resid 60   and name HB# )   (  resid 61   and name HG2#)      2.695     0.895     0.895
 assi    (  resid 57   and name HB# )   (  resid 61   and name HG2#)      2.820     1.020     1.020
 assi    (  resid 64   and name HG# )   (  resid 80   and name HD# )      3.650     1.850     1.850
 assi    (  resid 16   and name HG1#)   (  resid 52   and name HG# )      2.810     1.010     1.010
 assi    (  resid 86   and name HD# )   (  resid 89   and name HB# )      2.945     1.145     1.145
 assi    (  resid 86   and name HD# )   (  resid 90   and name HG  )      2.865     1.065     1.065
 assi    (  resid 86   and name HB# )   (  resid 86   and name HD# )      2.210     0.410     0.410
 assi    (  resid 32   and name HB# )   (  resid 86   and name HD# )      2.485     0.685     0.685
 assi    (  resid 83   and name HD1#)   (  resid 86   and name HD# )      2.250     0.450     0.450
 assi    (  resid 86   and name HB# )   (  resid 86   and name HD# )      2.885     1.085     1.085
 assi    (  resid 28   and name HB# )   (  resid 86   and name HD# )      3.650     1.850     1.850
 assi    (  resid 50   and name HA  )   (  resid 50   and name HG1#)      2.580     0.780     0.780
 assi    (  resid 32   and name HA  )   (  resid 90   and name HD1#)      2.555     0.755     0.755
 assi    (  resid 90   and name HB# )   (  resid 90   and name HD1#)      2.510     0.710     0.710
 assi    (  resid 32   and name HB# )   (  resid 90   and name HD1#)      2.715     0.915     0.915
 assi    (  resid 86   and name HG  )   (  resid 90   and name HD1#)      2.825     1.025     1.025
 assi    (  resid 51   and name HG# )   (  resid 83   and name HB  )      3.650     1.850     1.850
 assi    (  resid 40   and name HB# )   (  resid 40   and name HD# )      2.460     0.660     0.660
 assi    (  resid 2    and name HB  )   (  resid 5    and name HB# )      3.650     1.850     1.850
 assi    (  resid 83   and name HD1#)   (  resid 87   and name HG2#)      2.500     0.700     0.700
 assi    (  resid 86   and name HD# )   (  resid 87   and name HG2#)      2.950     1.150     1.150
 assi    (  resid 28   and name HD2#)   (  resid 87   and name HG2#)      2.980     1.180     1.180
 assi    (  resid 50   and name HA  )   (  resid 50   and name HG2#)      2.580     0.780     0.780
 assi    (  resid 51   and name HA  )   (  resid 51   and name HG# )      2.480     0.680     0.680
 assi    (  resid 51   and name HG# )   (  resid 86   and name HB# )      3.650     1.850     1.850
 assi    (  resid 28   and name HD1#)   (  resid 86   and name HD# )      2.465     0.665     0.665
 assi    (  resid 15   and name HD# )   (  resid 28   and name HD1#)      2.385     0.585     0.585
 assi    (  resid 15   and name HD# )   (  resid 51   and name HG# )      2.525     0.725     0.725
 assi    (  resid 6    and name HB  )   (  resid 39   and name HA  )      3.195     1.395     1.395
 assi    (  resid 6    and name HA  )   (  resid 6    and name HB  )      2.360     0.560     0.560
 assi    (  resid 6    and name HB  )   (  resid 39   and name HB  )      3.650     1.850     1.850
 assi    (  resid 83   and name HG1#)   (  resid 87   and name HG2#)      2.695     0.895     0.895
 assi    (  resid 86   and name HB# )   (  resid 87   and name HG2#)      2.625     0.825     0.825
 assi    (  resid 35   and name HG# )   (  resid 93   and name HA# )      3.650     1.850     1.850
 assi    (  resid 92   and name HB# )   (  resid 93   and name HA# )      3.650     1.850     1.850
 assi    (  resid 35   and name HG# )   (  resid 93   and name HA# )      3.650     1.850     1.850
 assi    (  resid 92   and name HB# )   (  resid 93   and name HA# )      3.650     1.850     1.850
 assi    (  resid 25   and name HG# )   (  resid 28   and name HD2#)      3.650     1.850     1.850
 assi    (  resid 24   and name HG# )   (  resid 28   and name HD2#)      3.650     1.850     1.850
 assi    (  resid 28   and name HD2#)   (  resid 83   and name HG1#)      3.650     1.850     1.850
 assi    (  resid 28   and name HD2#)   (  resid 86   and name HD# )      2.245     0.445     0.445
 assi    (  resid 96   and name HA  )   (  resid 96   and name HG1#)      2.100     0.300     0.300
 assi    (  resid 89   and name HB# )   (  resid 96   and name HG1#)      2.905     1.105     1.105
 assi    (  resid 92   and name HB# )   (  resid 96   and name HG1#)      2.190     0.390     0.390
 assi    (  resid 92   and name HA  )   (  resid 96   and name HG1#)      3.520     1.720     1.720
 assi    (  resid 96   and name HG1#)   (  resid 97   and name HD# )      2.425     0.625     0.625
 assi    (  resid 16   and name HA  )   (  resid 16   and name HG2#)      2.535     0.735     0.735
 assi    (  resid 2    and name HA  )   (  resid 2    and name HG2#)      2.570     0.770     0.770
 assi    (  resid 98   and name HA  )   (  resid 98   and name HG2#)      2.525     0.725     0.725
 assi    (  resid 76   and name HA  )   (  resid 76   and name HG2#)      2.345     0.545     0.545
 assi    (  resid 58   and name HG# )   (  resid 61   and name HG1#)      3.650     1.850     1.850
 assi    (  resid 60   and name HB# )   (  resid 61   and name HG1#)      3.650     1.850     1.850
 assi    (  resid 11   and name HG1#)   (  resid 89   and name HB# )      3.650     1.850     1.850
 assi    (  resid 11   and name HA  )   (  resid 11   and name HG1#)      2.580     0.780     0.780
 assi    (  resid 11   and name HG1#)   (  resid 95   and name HB# )      2.560     0.760     0.760
 assi    (  resid 11   and name HG1#)   (  resid 95   and name HG# )      2.855     1.055     1.055
 assi    (  resid 11   and name HA  )   (  resid 48   and name HG2#)      2.375     0.575     0.575
 assi    (  resid 55   and name HG2#)   (  resid 60   and name HA  )      2.490     0.690     0.690
 assi    (  resid 55   and name HG2#)   (  resid 80   and name HG  )      3.650     1.850     1.850
 assi    (  resid 55   and name HG2#)   (  resid 59   and name HG# )      2.620     0.820     0.820
 assi    (  resid 55   and name HG2#)   (  resid 59   and name HB# )      2.285     0.485     0.485
 assi    (  resid 28   and name HD2#)   (  resid 29   and name HA  )      3.525     1.725     1.725
 assi    (  resid 11   and name HA  )   (  resid 12   and name HB# )      3.195     1.395     1.395
 assi    (  resid 12   and name HB# )   (  resid 40   and name HA  )      3.390     1.590     1.590
 assi    (  resid 12   and name HB# )   (  resid 38   and name HB# )      2.915     1.115     1.115
 assi    (  resid 12   and name HB# )   (  resid 40   and name HD# )      2.235     0.435     0.435
 assi    (  resid 38   and name HB# )   (  resid 38   and name HD# )      2.605     0.805     0.805
 assi    (  resid 38   and name HD# )   (  resid 40   and name HD# )      3.170     1.370     1.370
 assi    (  resid 12   and name HB# )   (  resid 38   and name HD# )      2.380     0.580     0.580
 assi    (  resid 6    and name HG2#)   (  resid 38   and name HD# )      3.650     1.850     1.850
 assi    (  resid 6    and name HG2#)   (  resid 38   and name HG# )      3.440     1.640     1.640
 assi    (  resid 11   and name HG2#)   (  resid 95   and name HG# )      2.855     1.055     1.055
 assi    (  resid 6    and name HA  )   (  resid 6    and name HG2#)      2.565     0.765     0.765
 assi    (  resid 26   and name HB# )   (  resid 29   and name HG2#)      3.555     1.755     1.755
 assi    (  resid 11   and name HA  )   (  resid 11   and name HG2#)      2.580     0.780     0.780
 assi    (  resid 11   and name HG2#)   (  resid 95   and name HB# )      2.560     0.760     0.760
 assi    (  resid 52   and name HE# )   (  resid 60   and name HB# )      3.260     1.460     1.460
 assi    (  resid 29   and name HG2#)   (  resid 33   and name HD# )      2.500     0.700     0.700
 assi    (  resid 29   and name HA  )   (  resid 29   and name HG2#)      2.360     0.560     0.560
 assi    (  resid 29   and name HG2#)   (  resid 33   and name HG# )      2.785     0.985     0.985
 assi    (  resid 51   and name HA  )   (  resid 60   and name HB# )      3.650     1.850     1.850
 assi    (  resid 60   and name HB# )   (  resid 61   and name HA  )      3.485     1.685     1.685
 assi    (  resid 59   and name HB# )   (  resid 60   and name HB# )      2.730     0.930     0.930
 assi    (  resid 60   and name HB# )   (  resid 80   and name HG  )      2.360     0.560     0.560
 assi    (  resid 60   and name HB# )   (  resid 80   and name HD# )      2.285     0.485     0.485
 assi    (  resid 55   and name HG2#)   (  resid 60   and name HB# )      2.100     0.300     0.300
 assi    (  resid 100  and name HA  )   (  resid 103  and name HD# )      2.905     1.105     1.105
 assi    (  resid 66   and name HB# )   (  resid 66   and name HD# )      2.100     0.300     0.300
 assi    (  resid 66   and name HG# )   (  resid 66   and name HD# )      2.255     0.455     0.455
 assi    (  resid 22   and name HA  )   (  resid 22   and name HD# )      3.175     1.375     1.375
 assi    (  resid 22   and name HB# )   (  resid 22   and name HD# )      2.325     0.525     0.525
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 assi    (  resid 7    and name HN  )   (  resid 8    and name HB# )      3.570     1.770     1.770
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 assi    (  resid 11   and name HA  )   (  resid 11   and name HG# )      2.250     0.450     0.450
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 assi    (  resid 11   and name HG# )   (  resid 12   and name HB# )      3.620     1.820     1.820
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 assi    (  resid 11   and name HG# )   (  resid 37   and name HA  )      3.620     1.820     1.820
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 assi    (  resid 50   and name HG# )   (  resid 51   and name HG# )      2.980     1.180     1.180
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 assi    (  resid 67   and name HB# )   (  resid 68   and name HN  )      2.800     1.000     1.000
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 assi    (  resid 81   and name HA  )   (  resid 81   and name HD# )      2.875     1.075     1.075
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 assi    (  resid 81   and name HB# )   (  resid 105  and name HN  )      3.570     1.770     1.770
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 assi    (  resid 81   and name HD# )   (  resid 103  and name HA  )      2.740     0.940     0.940
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 assi    (  resid 82   and name HN  )   (  resid 82   and name HB# )      2.395     0.595     0.595
 assi    (  resid 82   and name HN  )   (  resid 102  and name HB# )      3.550     1.750     1.750
 assi    (  resid 82   and name HN  )   (  resid 104  and name HD# )      2.985     1.185     1.185
 assi    (  resid 82   and name HA  )   (  resid 104  and name HD# )      3.215     1.415     1.415
 assi    (  resid 82   and name HB# )   (  resid 102  and name HA  )      3.570     1.770     1.770
 assi    (  resid 82   and name HB# )   (  resid 104  and name HD# )      2.565     0.765     0.765
 assi    (  resid 83   and name HN  )   (  resid 104  and name HD# )      3.620     1.820     1.820
 assi    (  resid 83   and name HG2#)   (  resid 84   and name HB# )      3.180     1.380     1.380
 assi    (  resid 84   and name HN  )   (  resid 84   and name HB# )      2.485     0.685     0.685
 assi    (  resid 84   and name HA  )   (  resid 84   and name HB# )      2.170     0.370     0.370
 assi    (  resid 84   and name HB# )   (  resid 87   and name HG2#)      3.570     1.770     1.770
 assi    (  resid 85   and name HN  )   (  resid 98   and name HG# )      3.620     1.820     1.820
 assi    (  resid 85   and name HB# )   (  resid 86   and name HN  )      3.115     1.315     1.315
 assi    (  resid 85   and name HB# )   (  resid 98   and name HG# )      3.380     1.580     1.580
 assi    (  resid 85   and name HD1 )   (  resid 98   and name HG# )      3.215     1.415     1.415
 assi    (  resid 85   and name HE1 )   (  resid 98   and name HG# )      3.050     1.250     1.250
 assi    (  resid 86   and name HA  )   (  resid 90   and name HD# )      3.620     1.820     1.820
 assi    (  resid 86   and name HG  )   (  resid 90   and name HD# )      2.590     0.790     0.790
 assi    (  resid 86   and name HD# )   (  resid 90   and name HD# )      2.735     0.935     0.935
 assi    (  resid 87   and name HA  )   (  resid 90   and name HD# )      2.880     1.080     1.080
 assi    (  resid 87   and name HG2#)   (  resid 90   and name HD# )      3.200     1.400     1.400
 assi    (  resid 88   and name HN  )   (  resid 88   and name HB# )      2.530     0.730     0.730
 assi    (  resid 88   and name HN  )   (  resid 90   and name HD# )      3.620     1.820     1.820
 assi    (  resid 88   and name HB# )   (  resid 89   and name HN  )      2.585     0.785     0.785
 assi    (  resid 88   and name HB# )   (  resid 89   and name HB# )      3.460     1.660     1.660
 assi    (  resid 88   and name HB# )   (  resid 96   and name HG2#)      2.575     0.775     0.775
 assi    (  resid 89   and name HA  )   (  resid 90   and name HD# )      3.620     1.820     1.820
 assi    (  resid 89   and name HB# )   (  resid 90   and name HD# )      3.620     1.820     1.820
 assi    (  resid 89   and name HB# )   (  resid 94   and name HG# )      3.570     1.770     1.770
 assi    (  resid 90   and name HN  )   (  resid 90   and name HD# )      3.155     1.355     1.355
 assi    (  resid 90   and name HA  )   (  resid 90   and name HD# )      2.225     0.425     0.425
 assi    (  resid 90   and name HB# )   (  resid 90   and name HD# )      2.345     0.545     0.545
 assi    (  resid 90   and name HB# )   (  resid 90   and name HD# )      2.240     0.440     0.440
 assi    (  resid 92   and name HN  )   (  resid 93   and name HA# )      3.570     1.770     1.770
 assi    (  resid 92   and name HB# )   (  resid 94   and name HB# )      3.115     1.315     1.315
 assi    (  resid 92   and name HB# )   (  resid 94   and name HG# )      2.355     0.555     0.555
 assi    (  resid 92   and name HB# )   (  resid 94   and name HE2#)      3.570     1.770     1.770
 assi    (  resid 93   and name HA# )   (  resid 94   and name HG# )      3.315     1.515     1.515
 assi    (  resid 94   and name HN  )   (  resid 94   and name HB# )      2.655     0.855     0.855
 assi    (  resid 94   and name HN  )   (  resid 94   and name HG# )      2.560     0.760     0.760
 assi    (  resid 94   and name HA  )   (  resid 94   and name HE2#)      3.570     1.770     1.770
 assi    (  resid 94   and name HB# )   (  resid 94   and name HE2#)      3.010     1.210     1.210
 assi    (  resid 94   and name HB# )   (  resid 95   and name HD# )      2.590     0.790     0.790
 assi    (  resid 94   and name HG# )   (  resid 94   and name HE2#)      2.505     0.705     0.705
 assi    (  resid 94   and name HG# )   (  resid 96   and name HG1#)      3.280     1.480     1.480
 assi    (  resid 94   and name HE2#)   (  resid 95   and name HD# )      3.570     1.770     1.770
 assi    (  resid 94   and name HE2#)   (  resid 96   and name HN  )      3.570     1.770     1.770
 assi    (  resid 94   and name HE2#)   (  resid 96   and name HG1#)      3.570     1.770     1.770
 assi    (  resid 97   and name HA  )   (  resid 98   and name HG# )      3.125     1.325     1.325
 assi    (  resid 97   and name HB# )   (  resid 98   and name HN  )      2.915     1.115     1.115
 assi    (  resid 98   and name HN  )   (  resid 98   and name HG# )      2.360     0.560     0.560
 assi    (  resid 98   and name HG# )   (  resid 99   and name HN  )      2.685     0.885     0.885
 assi    (  resid 98   and name HG# )   (  resid 101  and name HN  )      3.620     1.820     1.820
 assi    (  resid 98   and name HG# )   (  resid 102  and name HN  )      2.845     1.045     1.045
 assi    (  resid 98   and name HG# )   (  resid 102  and name HA  )      3.395     1.595     1.595
 assi    (  resid 98   and name HG# )   (  resid 102  and name HB# )      2.790     0.990     0.990
 assi    (  resid 98   and name HG# )   (  resid 103  and name HN  )      3.620     1.820     1.820
 assi    (  resid 98   and name HG# )   (  resid 103  and name HA  )      3.140     1.340     1.340
 assi    (  resid 98   and name HG# )   (  resid 103  and name HB# )      2.835     1.035     1.035
 assi    (  resid 98   and name HG# )   (  resid 103  and name HD# )      2.915     1.115     1.115
 assi    (  resid 98   and name HG# )   (  resid 103  and name HE  )      3.620     1.820     1.820
 assi    (  resid 100  and name HA  )   (  resid 100  and name HB# )      2.165     0.365     0.365
 assi    (  resid 100  and name HA  )   (  resid 103  and name HB# )      2.870     1.070     1.070
 assi    (  resid 101  and name HN  )   (  resid 101  and name HG# )      3.570     1.770     1.770
 assi    (  resid 101  and name HG# )   (  resid 102  and name HN  )      3.410     1.610     1.610
 assi    (  resid 102  and name HN  )   (  resid 102  and name HB# )      2.505     0.705     0.705
 assi    (  resid 102  and name HB# )   (  resid 103  and name HN  )      2.940     1.140     1.140
 assi    (  resid 102  and name HB# )   (  resid 103  and name HB# )      3.490     1.690     1.690
 assi    (  resid 103  and name HN  )   (  resid 103  and name HB# )      2.290     0.490     0.490
 assi    (  resid 103  and name HB# )   (  resid 103  and name HE  )      3.045     1.245     1.245
 assi    (  resid 103  and name HB# )   (  resid 104  and name HN  )      2.845     1.045     1.045
 assi    (  resid 103  and name HB# )   (  resid 104  and name HB# )      3.570     1.770     1.770
 assi    (  resid 103  and name HB# )   (  resid 104  and name HD# )      3.540     1.740     1.740
 assi    (  resid 104  and name HN  )   (  resid 104  and name HD# )      2.940     1.140     1.140
 assi    (  resid 104  and name HA  )   (  resid 105  and name HB# )      3.570     1.770     1.770
 assi    (  resid 104  and name HD# )   (  resid 105  and name HN  )      3.315     1.515     1.515
 assi    (  resid 104  and name HD# )   (  resid 105  and name HB# )      3.540     1.740     1.740
 assi    (  resid 105  and name HN  )   (  resid 105  and name HB# )      2.430     0.630     0.630
 assi    (  resid 105  and name HN  )   (  resid 105  and name HG# )      2.725     0.925     0.925
 assi    (  resid 105  and name HB# )   (  resid 105  and name HG# )      2.050     0.250     0.250
!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid   7  and name N   )
!       ( resid   7  and name HN  )  -0.8000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid   8  and name N   )
!       ( resid   8  and name HN  )   7.2000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  11  and name N   )
       ( resid  11  and name HN  ) -10.4000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  12  and name N   )
       ( resid  12  and name HN  )  -2.4000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  13  and name N   )
       ( resid  13  and name HN  )  -8.0000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  )  -2.4000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  15  and name N   )
       ( resid  15  and name HN  )  -3.2000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  16  and name N   )
!       ( resid  16  and name HN  )   2.4000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  17  and name N   )
!       ( resid  17  and name HN  )   2.4000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  19  and name N   )
!       ( resid  19  and name HN  )   8.8000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  20  and name N   )
!       ( resid  20  and name HN  )   3.2000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  21  and name N   )
!       ( resid  21  and name HN  )   3.2000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  )   0.0000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  25  and name N   )
!       ( resid  25  and name HN  )  -0.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )  -0.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  27  and name N   )
       ( resid  27  and name HN  )  -7.2000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  28  and name N   )
       ( resid  28  and name HN  )  -4.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  )   1.6000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  30  and name N   )
       ( resid  30  and name HN  )  -2.4000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  )  -5.6000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  32  and name N   )
       ( resid  32  and name HN  )  -2.4000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  34  and name N   )
       ( resid  34  and name HN  )  -6.4000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  35  and name N   )
!       ( resid  35  and name HN  )  -6.4000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  36  and name N   )
       ( resid  36  and name HN  )   7.2000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  37  and name N   )
       ( resid  37  and name HN  )   4.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  38  and name N   )
       ( resid  38  and name HN  )   8.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  39  and name N   )
       ( resid  39  and name HN  )  -8.0000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  40  and name N   )
       ( resid  40  and name HN  )  -4.0000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  41  and name N   )
       ( resid  41  and name HN  )  -8.0000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  46  and name N   )
!       ( resid  46  and name HN  )   4.8000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  47  and name N   )
!       ( resid  47  and name HN  )   1.6000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  48  and name N   )
!       ( resid  48  and name HN  )  -0.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  )  -4.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  )  -0.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  51  and name N   )
       ( resid  51  and name HN  )  -1.6000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  52  and name N   )
       ( resid  52  and name HN  )   5.6000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  53  and name N   )
!       ( resid  53  and name HN  )   7.2000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  54  and name N   )
!       ( resid  54  and name HN  )   2.4000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  55  and name N   )
!       ( resid  55  and name HN  )   0.0000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  56  and name N   )
       ( resid  56  and name HN  )   4.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  57  and name N   )
       ( resid  57  and name HN  )   0.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  58  and name N   )
       ( resid  58  and name HN  )  -3.2000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  59  and name N   )
       ( resid  59  and name HN  )   0.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  61  and name N   )
       ( resid  61  and name HN  )  -5.6000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  62  and name N   )
       ( resid  62  and name HN  )   0.0000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  63  and name N   )
       ( resid  63  and name HN  )   0.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  )  -4.0000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  66  and name N   )
       ( resid  66  and name HN  )   3.2000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  67  and name N   )
       ( resid  67  and name HN  )   0.0000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  68  and name N   )
       ( resid  68  and name HN  )  -4.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  69  and name N   )
       ( resid  69  and name HN  )  -1.6000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  70  and name N   )
!       ( resid  70  and name HN  )   1.6000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  71  and name N   )
!       ( resid  71  and name HN  )  -6.4000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  75  and name N   )
!       ( resid  75  and name HN  )   0.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  79  and name N   )
       ( resid  79  and name HN  )  -9.6000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  80  and name N   )
       ( resid  80  and name HN  )  -1.6000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  81  and name N   )
       ( resid  81  and name HN  )   0.0000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  82  and name N   )
       ( resid  82  and name HN  )   7.2000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  83  and name N   )
       ( resid  83  and name HN  )   0.0000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  86  and name N   )
       ( resid  86  and name HN  )  -6.4000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  87  and name N   )
       ( resid  87  and name HN  )  -9.6000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  88  and name N   )
       ( resid  88  and name HN  )  -8.8000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  89  and name N   )
       ( resid  89  and name HN  )  -4.0000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  90  and name N   )
       ( resid  90  and name HN  )  -5.6000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  91  and name N   )
       ( resid  91  and name HN  )  -9.6000 0.8

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  92  and name N   )
       ( resid  92  and name HN  )  -4.0000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  93  and name N   )
!       ( resid  93  and name HN  )  -4.0000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  94  and name N   )
!       ( resid  94  and name HN  ) -10.4000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  96  and name N   )
!       ( resid  96  and name HN  )   2.4000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  98  and name N   )
!       ( resid  98  and name HN  )   0.0000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid  99  and name N   )
!       ( resid  99  and name HN  )   5.6000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid 101  and name N   )
!       ( resid 101  and name HN  )   8.0000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid 102  and name N   )
!       ( resid 102  and name HN  )   6.4000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid 103  and name N   )
!       ( resid 103  and name HN  )   4.0000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid 104  and name N   )
!       ( resid 104  and name HN  )  -6.4000 0.8

!assign ( resid 999  and name OO  )
!       ( resid 999  and name Z   )
!       ( resid 999  and name X   )
!       ( resid 999  and name Y   )
!       ( resid 105  and name N   )
!       ( resid 105  and name HN  )  -0.8000 0.8
  2 THR   PHI    -138.2   -64.9
  2 THR   PSI      96.5   167.5
  3 PRO   PSI     111.1   170.3
 11 VAL   PHI    -125.7   -69.5
 11 VAL   PSI     108.1   159.6
 12 ALA   PHI    -200.0   -80.0
 12 ALA   PSI      40.0   220.0
 13 ILE   PHI    -140.9   -96.9
 13 ILE   PSI     112.8   162.5
 14 TYR   PHI    -149.7  -109.7
 14 TYR   PSI      99.3   159.3
 15 LEU   PHI    -151.7   -57.5
 15 LEU   PSI      90.6   154.3
 17 GLU   PHI     -86.8   -41.3
 17 GLU   PSI     -55.3   -12.6
 22 ARG   PHI     -78.0   -38.0
 22 ARG   PSI     -59.0   -15.6
 23 SER   PHI     -86.1   -46.1
 23 SER   PSI     -55.9   -15.9
 24 ARG   PHI     -86.7   -46.7
 24 ARG   PSI     -61.9   -21.9
 25 ARG   PHI     -83.4   -43.4
 25 ARG   PSI     -58.9   -18.9
 26 ALA   PHI     -85.1   -45.1
 26 ALA   PSI     -60.3   -20.3
 27 PHE   PHI     -89.1   -49.1
 27 PHE   PSI     -58.9   -18.9
 28 LEU   PHI     -84.0   -44.0
 28 LEU   PSI     -61.8   -21.8
 29 THR   PHI     -82.9   -42.9
 29 THR   PSI     -63.2   -23.2
 30 GLY   PHI     -84.2   -44.2
 30 GLY   PSI     -58.7   -18.7
 31 LEU   PHI     -86.6   -46.6
 31 LEU   PSI     -57.6   -17.6
 32 ALA   PHI     -84.1   -44.1
 32 ALA   PSI     -60.3   -20.3
 33 ARG   PHI     -83.0   -43.0
 33 ARG   PSI     -57.0   -17.0
 34 SER   PHI     -85.0   -45.0
 34 SER   PSI     -56.1     2.9
 36 GLY   PHI    -200.0   -80.0
 36 GLY   PSI      40.0   220.0
 37 PHE   PHI    -200.0   -80.0
 37 PHE   PSI      40.0   220.0
 38 ARG   PHI    -200.0   -80.0
 38 ARG   PSI      40.0   220.0
 39 VAL   PHI    -146.6   -78.6
 39 VAL   PSI     104.2   144.2
 40 LEU   PHI    -134.6   -64.4
 40 LEU   PSI      97.4   156.3
 41 ASP   PHI    -200.0   -80.0
 41 ASP   PSI      40.0   220.0
 42 ALA   PHI    -161.6   -79.1
 42 ALA   PSI     115.0   188.8
 45 SER   PHI    -102.3   -44.0
 45 SER   PSI     -46.5     5.4
 46 GLU   PHI    -124.0   -47.1
 46 GLU   PSI     -61.9    26.6
 48 THR   PHI    -200.0   -80.0
 48 THR   PSI      40.0   220.0
 49 HIS   PHI    -200.0   -80.0
 49 HIS   PSI      40.0   220.0
 50 VAL   PHI    -138.4   -92.2
 50 VAL   PSI      98.7   154.4
 51 VAL   PHI    -139.1   -96.6
 51 VAL   PSI     102.2   160.3
 52 MET   PHI    -151.9   -99.6
 52 MET   PSI     106.1   166.7
 53 GLU   PHI    -181.8   -66.8
 53 GLU   PSI     116.6   178.5
 55 THR   PHI    -163.1   -68.7
 55 THR   PSI      91.3   185.5
 56 SER   PHI    -144.5   -40.5
 56 SER   PSI     108.2   201.1
 57 ALA   PHI     -80.7   -40.7
 57 ALA   PSI     -60.8   -18.3
 58 GLU   PHI     -83.3   -43.3
 58 GLU   PSI     -63.2   -23.2
 59 GLU   PHI     -85.4   -45.4
 59 GLU   PSI     -60.2   -20.2
 60 ALA   PHI     -86.2   -46.2
 60 ALA   PSI     -62.1   -22.1
 61 VAL   PHI     -82.7   -42.7
 61 VAL   PSI     -68.0   -23.2
 62 SER   PHI     -83.5   -43.5
 62 SER   PSI     -58.6   -18.6
 63 TRP   PHI     -87.4   -47.4
 63 TRP   PSI     -63.5   -23.5
 64 GLN   PHI     -84.3   -44.3
 64 GLN   PSI     -60.0   -20.0
 65 GLU   PHI     -88.0   -48.0
 65 GLU   PSI     -59.4   -19.4
 66 ARG   PHI     -84.4   -44.4
 66 ARG   PSI     -61.5   -21.5
 67 ARG   PHI     -84.5   -44.5
 67 ARG   PSI     -58.6   -18.6
 68 MET   PHI     -85.6   -45.6
 68 MET   PSI     -58.4   -18.4
 69 ALA   PHI     -93.0   -53.0
 69 ALA   PSI     -53.5    -9.0
 71 ALA   PHI     -99.8   -53.4
 71 ALA   PSI     113.3   171.4
 75 CYS   PHI    -133.6   -36.9
 75 CYS   PSI     100.8   171.6
 76 THR   PHI    -155.0   -31.1
 76 THR   PSI      96.1   169.6
 80 LEU   PHI    -121.0   -70.0
 80 LEU   PSI      94.8   145.8
 81 LEU   PHI    -180.8   -81.6
 81 LEU   PSI     110.7   191.7
 82 ASP   PHI    -168.1  -104.3
 82 ASP   PSI     111.9   186.3
 83 ILE   PHI    -131.3   -54.0
 83 ILE   PSI     111.4   200.0
 84 SER   PHI     -80.8   -40.8
 84 SER   PSI     -55.2   -15.2
 85 TRP   PHI     -84.7   -44.7
 85 TRP   PSI     -67.1   -27.1
 86 LEU   PHI     -81.3   -41.3
 86 LEU   PSI     -64.9   -24.9
 87 THR   PHI     -83.6   -43.6
 87 THR   PSI     -59.2   -19.2
 88 GLU   PHI     -83.4   -43.4
 88 GLU   PSI     -61.0   -21.0
 89 SER   PHI     -83.7   -43.7
 89 SER   PSI     -63.0   -23.0
 90 LEU   PHI     -83.0   -43.0
 90 LEU   PSI     -59.2   -19.2
 91 GLY   PHI     -88.6   -42.0
 91 GLY   PSI     -52.0   -12.0
 92 ALA   PHI    -122.7   -57.9
 92 ALA   PSI     -33.0    27.2
 94 GLN   PHI    -165.5   -44.4
 94 GLN   PSI     120.4   175.6
 96 VAL   PHI    -127.7   -46.3
 96 VAL   PSI     100.8   182.8
 99 GLU   PHI    -157.1   -59.3
 99 GLU   PSI     141.6   181.8
100 CYS   PHI     -78.6   -38.6
100 CYS   PSI     -62.1   -22.1
101 ARG   PHI     -96.5   -42.6
101 ARG   PSI     -60.2     7.0
102 HIS   PHI    -133.9   -33.0
102 HIS   PSI     -71.1     8.1
103 ARG   PHI    -129.8   -59.1
103 ARG   PSI     -49.8    24.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY  20          1HT       GLY  20   3.150 -12.339  16.628
    2   2H    GLY  20          2HT       GLY  20   2.530 -10.914  15.958
    3   3H    GLY  20          3HT       GLY  20   4.153 -11.326  15.717
    4   1HA   GLY  20          1HA       GLY  20   3.504 -13.269  14.434
    5   2HA   GLY  20          2HA       GLY  20   1.817 -12.840  14.684
    6    H    THR  21           H        THR  21   4.802 -11.957  13.098
    7    HA   THR  21           HA       THR  21   5.291 -10.504  11.400
    8    HB   THR  21           HB       THR  21   3.983 -10.782   9.417
    9    HG1  THR  21           1HG      THR  21   1.880 -11.237   9.457
   10   1HG2  THR  21          1HG2      THR  21   5.266 -12.744  10.148
   11   2HG2  THR  21          2HG2      THR  21   3.805 -13.212   9.278
   12   3HG2  THR  21          3HG2      THR  21   3.858 -13.328  11.037
   13    HA   PRO  22           HA       PRO  22   2.106  -7.327  13.165
   14   1HB   PRO  22          2HB       PRO  22   4.714  -6.106  13.937
   15   2HB   PRO  22          1HB       PRO  22   3.169  -6.100  14.794
   16   1HG   PRO  22          2HG       PRO  22   5.147  -7.695  15.582
   17   2HG   PRO  22          1HG       PRO  22   3.463  -8.250  15.612
   18   1HD   PRO  22          2HD       PRO  22   5.651  -8.930  13.705
   19   2HD   PRO  22          1HD       PRO  22   4.322  -9.937  14.309
   20    HA   PRO  23           HA       PRO  23   4.386  -4.439  10.152
   21   1HB   PRO  23          2HB       PRO  23   6.865  -4.866   9.329
   22   2HB   PRO  23          1HB       PRO  23   6.570  -4.282  10.974
   23   1HG   PRO  23          2HG       PRO  23   7.185  -7.056  10.033
   24   2HG   PRO  23          1HG       PRO  23   7.827  -6.185  11.437
   25   1HD   PRO  23          2HD       PRO  23   5.749  -8.011  11.522
   26   2HD   PRO  23          1HD       PRO  23   6.047  -6.759  12.741
   27    H    SER  24           H        SER  24   2.829  -6.537   9.368
   28    HA   SER  24           HA       SER  24   3.816  -8.115   7.285
   29   1HB   SER  24          2HB       SER  24   1.019  -7.041   7.697
   30   2HB   SER  24          1HB       SER  24   1.455  -8.352   6.601
   31    HG   SER  24           HG       SER  24   2.101  -9.570   8.379
   32    H    THR  25           H        THR  25   5.164  -6.811   6.034
   33    HA   THR  25           HA       THR  25   3.755  -4.925   4.264
   34    HB   THR  25           HB       THR  25   5.907  -3.775   3.930
   35    HG1  THR  25           1HG      THR  25   6.792  -5.811   5.660
   36   1HG2  THR  25          1HG2      THR  25   6.035  -2.683   6.107
   37   2HG2  THR  25          2HG2      THR  25   5.152  -4.021   6.844
   38   3HG2  THR  25          3HG2      THR  25   4.354  -2.981   5.664
   39    H    ARG  26           H        ARG  26   5.798  -7.665   4.596
   40    HA   ARG  26           HA       ARG  26   6.527  -9.251   3.162
   41   1HB   ARG  26          2HB       ARG  26   4.026  -8.601   2.306
   42   2HB   ARG  26          1HB       ARG  26   4.966  -8.326   0.846
   43   1HG   ARG  26          2HG       ARG  26   4.983 -10.880   2.438
   44   2HG   ARG  26          1HG       ARG  26   4.016 -10.595   0.990
   45   1HD   ARG  26          2HD       ARG  26   6.058 -10.228  -0.302
   46   2HD   ARG  26          1HD       ARG  26   7.028 -10.492   1.146
   47    HE   ARG  26           HE       ARG  26   5.699 -12.776   1.039
   48   1HH1  ARG  26          1HH1      ARG  26   7.250 -10.985  -1.516
   49   2HH1  ARG  26          2HH1      ARG  26   7.619 -12.395  -2.452
   50   1HH2  ARG  26          1HH2      ARG  26   6.179 -14.633  -0.188
   51   2HH2  ARG  26          2HH2      ARG  26   7.007 -14.465  -1.699
   52    H    PHE  27           H        PHE  27   5.875  -6.873   0.616
   53    HA   PHE  27           HA       PHE  27   8.712  -7.023  -0.114
   54   1HB   PHE  27          2HB       PHE  27   7.133  -7.726  -1.833
   55   2HB   PHE  27          1HB       PHE  27   6.305  -6.177  -1.734
   56    HD1  PHE  27           1HD      PHE  27   9.608  -7.688  -2.519
   57    HD2  PHE  27           2HD      PHE  27   6.934  -4.434  -3.125
   58    HE1  PHE  27           1HE      PHE  27  11.095  -6.794  -4.261
   59    HE2  PHE  27           2HE      PHE  27   8.417  -3.535  -4.869
   60    HZ   PHE  27           HZ       PHE  27  10.501  -4.716  -5.441
   61    HA   PRO  28           HA       PRO  28   8.853  -2.756   1.424
   62   1HB   PRO  28          2HB       PRO  28  11.731  -2.974   0.961
   63   2HB   PRO  28          1HB       PRO  28  10.865  -2.724   2.478
   64   1HG   PRO  28          2HG       PRO  28  12.152  -5.033   1.897
   65   2HG   PRO  28          1HG       PRO  28  10.695  -4.976   2.906
   66   1HD   PRO  28          2HD       PRO  28  10.979  -5.732   0.021
   67   2HD   PRO  28          1HD       PRO  28   9.979  -6.474   1.290
   68    H    GLY  29           H        GLY  29  10.631  -0.933   0.514
   69   1HA   GLY  29          2HA       GLY  29  11.402   0.234  -1.355
   70   2HA   GLY  29          1HA       GLY  29  10.840  -1.084  -2.376
   71    H    VAL  30           H        VAL  30   8.229  -1.285  -1.927
   72    HA   VAL  30           HA       VAL  30   7.205   1.293  -2.861
   73    HB   VAL  30           HB       VAL  30   5.844  -1.408  -2.894
   74   1HG1  VAL  30          1HG1      VAL  30   4.328  -0.316  -4.523
   75   2HG1  VAL  30          2HG1      VAL  30   5.126   1.221  -4.187
   76   3HG1  VAL  30          3HG1      VAL  30   4.239   0.390  -2.909
   77   1HG2  VAL  30          1HG2      VAL  30   7.815  -1.421  -4.316
   78   2HG2  VAL  30          2HG2      VAL  30   7.282   0.067  -5.099
   79   3HG2  VAL  30          3HG2      VAL  30   6.350  -1.417  -5.298
   80    H    ALA  31           H        ALA  31   7.218   2.247  -0.743
   81    HA   ALA  31           HA       ALA  31   5.598   1.133   1.351
   82   1HB   ALA  31          1HB       ALA  31   6.804   3.885   1.112
   83   2HB   ALA  31          2HB       ALA  31   7.585   2.483   1.842
   84   3HB   ALA  31          3HB       ALA  31   6.132   3.164   2.574
   85    H    ILE  32           H        ILE  32   3.482   1.377   1.628
   86    HA   ILE  32           HA       ILE  32   2.116   3.522   0.137
   87    HB   ILE  32           HB       ILE  32   0.937   0.843   0.869
   88   1HG1  ILE  32          2HG1      ILE  32   1.855   1.759  -1.863
   89   2HG1  ILE  32          1HG1      ILE  32   2.820   0.731  -0.808
   90   1HG2  ILE  32          1HG2      ILE  32  -0.720   2.583   0.652
   91   2HG2  ILE  32          2HG2      ILE  32  -0.818   1.507  -0.741
   92   3HG2  ILE  32          3HG2      ILE  32  -0.042   3.082  -0.897
   93   1HD1  ILE  32          1HD1      ILE  32   0.080   0.042  -1.834
   94   2HD1  ILE  32          2HD1      ILE  32   1.150  -0.997  -0.895
   95   3HD1  ILE  32          3HD1      ILE  32   1.597  -0.521  -2.533
   96    H    TYR  33           H        TYR  33   1.472   5.049   1.524
   97    HA   TYR  33           HA       TYR  33   0.642   4.270   4.218
   98   1HB   TYR  33          2HB       TYR  33   2.292   6.133   3.921
   99   2HB   TYR  33          1HB       TYR  33   1.027   7.062   3.122
  100    HD1  TYR  33           1HD      TYR  33  -0.486   8.338   4.386
  101    HD2  TYR  33           2HD      TYR  33   1.870   5.371   6.320
  102    HE1  TYR  33           1HE      TYR  33  -1.273   9.143   6.572
  103    HE2  TYR  33           2HE      TYR  33   1.091   6.170   8.510
  104    HH   TYR  33           HH       TYR  33   0.162   8.197   9.507
  105    H    LEU  34           H        LEU  34  -1.425   4.145   4.760
  106    HA   LEU  34           HA       LEU  34  -3.433   5.144   2.870
  107   1HB   LEU  34          2HB       LEU  34  -3.889   3.302   5.208
  108   2HB   LEU  34          1HB       LEU  34  -4.952   3.585   3.843
  109    HG   LEU  34           HG       LEU  34  -2.238   2.373   3.431
  110   1HD1  LEU  34          1HD1      LEU  34  -4.765   0.899   4.155
  111   2HD1  LEU  34          2HD1      LEU  34  -3.314   1.028   5.148
  112   3HD1  LEU  34          3HD1      LEU  34  -3.259   0.160   3.613
  113   1HD2  LEU  34          1HD2      LEU  34  -2.975   2.584   1.335
  114   2HD2  LEU  34          2HD2      LEU  34  -4.633   2.893   1.852
  115   3HD2  LEU  34          3HD2      LEU  34  -4.047   1.235   1.712
  116    H    VAL  35           H        VAL  35  -4.934   6.642   3.427
  117    HA   VAL  35           HA       VAL  35  -4.504   8.098   5.899
  118    HB   VAL  35           HB       VAL  35  -6.528   8.674   3.733
  119   1HG1  VAL  35          1HG1      VAL  35  -6.442  10.958   4.620
  120   2HG1  VAL  35          2HG1      VAL  35  -5.319  10.424   5.870
  121   3HG1  VAL  35          3HG1      VAL  35  -6.968   9.802   5.844
  122   1HG2  VAL  35          1HG2      VAL  35  -4.880  10.266   2.843
  123   2HG2  VAL  35          2HG2      VAL  35  -4.308   8.600   2.755
  124   3HG2  VAL  35          3HG2      VAL  35  -3.697   9.675   4.011
  125    H    GLU  36           H        GLU  36  -5.268   6.630   7.449
  126    HA   GLU  36           HA       GLU  36  -7.652   5.244   7.439
  127   1HB   GLU  36          2HB       GLU  36  -6.241   6.452   9.819
  128   2HB   GLU  36          1HB       GLU  36  -7.475   5.202   9.896
  129   1HG   GLU  36          2HG       GLU  36  -6.011   3.728   8.564
  130   2HG   GLU  36          1HG       GLU  36  -4.762   4.972   8.618
  131    HA   PRO  37           HA       PRO  37  -9.704   9.117   9.739
  132   1HB   PRO  37          2HB       PRO  37  -8.287  11.223   8.191
  133   2HB   PRO  37          1HB       PRO  37  -8.825  11.231   9.873
  134   1HG   PRO  37          2HG       PRO  37  -6.247  10.928   9.263
  135   2HG   PRO  37          1HG       PRO  37  -6.983  10.039  10.609
  136   1HD   PRO  37          2HD       PRO  37  -6.232   9.078   7.885
  137   2HD   PRO  37          1HD       PRO  37  -6.152   8.234   9.443
  138    H    ARG  38           H        ARG  38  -8.779   8.653   6.445
  139    HA   ARG  38           HA       ARG  38 -11.486   9.411   5.593
  140   1HB   ARG  38          2HB       ARG  38  -8.941  10.096   4.107
  141   2HB   ARG  38          1HB       ARG  38 -10.573  10.382   3.520
  142   1HG   ARG  38          2HG       ARG  38  -9.441  11.605   6.024
  143   2HG   ARG  38          1HG       ARG  38  -9.451  12.392   4.445
  144   1HD   ARG  38          2HD       ARG  38 -12.056  11.343   5.255
  145   2HD   ARG  38          1HD       ARG  38 -11.425  12.586   6.335
  146    HE   ARG  38           HE       ARG  38 -11.071  13.607   3.826
  147   1HH1  ARG  38          1HH1      ARG  38 -13.800  12.383   5.619
  148   2HH1  ARG  38          2HH1      ARG  38 -14.938  13.437   4.849
  149   1HH2  ARG  38          1HH2      ARG  38 -12.560  14.995   2.814
  150   2HH2  ARG  38          2HH2      ARG  38 -14.234  14.921   3.253
  151    H    MET  39           H        MET  39 -10.624   6.836   6.214
  152    HA   MET  39           HA       MET  39 -10.954   5.541   3.625
  153   1HB   MET  39          2HB       MET  39  -8.518   5.625   3.964
  154   2HB   MET  39          1HB       MET  39  -8.706   4.833   5.522
  155   1HG   MET  39          2HG       MET  39  -8.061   3.107   4.136
  156   2HG   MET  39          1HG       MET  39  -9.815   2.938   4.180
  157   1HE   MET  39          1HE       MET  39  -6.684   3.908   2.063
  158   2HE   MET  39          2HE       MET  39  -7.497   5.464   2.233
  159   3HE   MET  39          3HE       MET  39  -7.410   4.682   0.654
  160    H    GLY  40           H        GLY  40 -12.531   4.081   3.808
  161   1HA   GLY  40          2HA       GLY  40 -13.732   3.392   6.251
  162   2HA   GLY  40          1HA       GLY  40 -13.982   2.551   4.726
  163    H    ARG  41           H        ARG  41 -13.335   1.847   7.727
  164    HA   ARG  41           HA       ARG  41 -10.900   0.450   7.735
  165   1HB   ARG  41          2HB       ARG  41 -12.173   1.057   9.770
  166   2HB   ARG  41          1HB       ARG  41 -13.382  -0.148   9.352
  167   1HG   ARG  41          2HG       ARG  41 -10.685  -1.233   9.418
  168   2HG   ARG  41          1HG       ARG  41 -11.194  -0.540  10.960
  169   1HD   ARG  41          2HD       ARG  41 -12.759  -2.565   9.365
  170   2HD   ARG  41          1HD       ARG  41 -11.740  -2.938  10.756
  171    HE   ARG  41           HE       ARG  41 -14.061  -1.137  10.977
  172   1HH1  ARG  41          1HH1      ARG  41 -12.225  -3.903  12.034
  173   2HH1  ARG  41          2HH1      ARG  41 -13.226  -4.200  13.416
  174   1HH2  ARG  41          1HH2      ARG  41 -15.387  -1.526  12.795
  175   2HH2  ARG  41          2HH2      ARG  41 -15.020  -2.851  13.847
  176    H    SER  42           H        SER  42 -14.057  -0.400   6.538
  177    HA   SER  42           HA       SER  42 -13.682  -3.201   6.377
  178   1HB   SER  42          2HB       SER  42 -15.586  -3.168   4.823
  179   2HB   SER  42          1HB       SER  42 -15.905  -2.147   6.226
  180    HG   SER  42           HG       SER  42 -16.116  -1.428   3.765
  181    H    ARG  43           H        ARG  43 -13.128  -0.565   4.080
  182    HA   ARG  43           HA       ARG  43 -12.183  -2.319   2.013
  183   1HB   ARG  43          2HB       ARG  43 -13.263  -0.230   1.414
  184   2HB   ARG  43          1HB       ARG  43 -12.054   0.686   2.305
  185   1HG   ARG  43          2HG       ARG  43 -10.328  -0.183   0.743
  186   2HG   ARG  43          1HG       ARG  43 -11.623  -0.932  -0.195
  187   1HD   ARG  43          2HD       ARG  43 -12.633   1.261  -0.552
  188   2HD   ARG  43          1HD       ARG  43 -11.350   2.010   0.398
  189    HE   ARG  43           HE       ARG  43  -9.795   1.233  -1.353
  190   1HH1  ARG  43          1HH1      ARG  43 -13.190   1.488  -2.090
  191   2HH1  ARG  43          2HH1      ARG  43 -12.936   1.710  -3.789
  192   1HH2  ARG  43          1HH2      ARG  43  -9.453   1.526  -3.587
  193   2HH2  ARG  43          2HH2      ARG  43 -10.814   1.731  -4.640
  194    H    ARG  44           H        ARG  44 -10.765  -0.415   4.573
  195    HA   ARG  44           HA       ARG  44  -8.103  -0.387   3.683
  196   1HB   ARG  44          2HB       ARG  44  -8.767   1.064   5.473
  197   2HB   ARG  44          1HB       ARG  44  -9.287  -0.296   6.458
  198   1HG   ARG  44          2HG       ARG  44  -7.012  -1.032   6.731
  199   2HG   ARG  44          1HG       ARG  44  -6.441   0.219   5.625
  200   1HD   ARG  44          2HD       ARG  44  -6.847   1.924   7.142
  201   2HD   ARG  44          1HD       ARG  44  -8.005   0.964   8.063
  202    HE   ARG  44           HE       ARG  44  -6.218  -0.131   9.126
  203   1HH1  ARG  44          1HH1      ARG  44  -5.139   2.297   6.871
  204   2HH1  ARG  44          2HH1      ARG  44  -3.541   2.381   7.532
  205   1HH2  ARG  44          1HH2      ARG  44  -4.119  -0.026  10.000
  206   2HH2  ARG  44          2HH2      ARG  44  -2.961   1.062   9.311
  207    H    ALA  45           H        ALA  45  -9.693  -2.563   6.018
  208    HA   ALA  45           HA       ALA  45  -7.525  -4.312   6.343
  209   1HB   ALA  45          1HB       ALA  45  -9.139  -5.873   7.281
  210   2HB   ALA  45          2HB       ALA  45 -10.467  -4.925   6.612
  211   3HB   ALA  45          3HB       ALA  45  -9.440  -4.239   7.871
  212    H    PHE  46           H        PHE  46  -9.964  -4.057   3.889
  213    HA   PHE  46           HA       PHE  46  -9.663  -6.639   2.756
  214   1HB   PHE  46          2HB       PHE  46 -11.611  -5.788   1.972
  215   2HB   PHE  46          1HB       PHE  46 -11.048  -4.126   2.092
  216    HD1  PHE  46           1HD      PHE  46 -10.996  -7.151  -0.034
  217    HD2  PHE  46           2HD      PHE  46 -10.257  -2.966   0.208
  218    HE1  PHE  46           1HE      PHE  46 -10.760  -7.054  -2.481
  219    HE2  PHE  46           2HE      PHE  46 -10.015  -2.863  -2.237
  220    HZ   PHE  46           HZ       PHE  46 -10.269  -4.908  -3.586
  221    H    LEU  47           H        LEU  47  -8.271  -3.468   1.939
  222    HA   LEU  47           HA       LEU  47  -6.673  -4.582  -0.183
  223   1HB   LEU  47          2HB       LEU  47  -5.703  -2.309  -0.324
  224   2HB   LEU  47          1HB       LEU  47  -7.450  -2.334  -0.449
  225    HG   LEU  47           HG       LEU  47  -7.347  -1.819   2.126
  226   1HD1  LEU  47          1HD1      LEU  47  -4.661  -0.871   1.150
  227   2HD1  LEU  47          2HD1      LEU  47  -4.980  -2.028   2.441
  228   3HD1  LEU  47          3HD1      LEU  47  -5.428  -0.336   2.643
  229   1HD2  LEU  47          1HD2      LEU  47  -8.346  -0.368   0.458
  230   2HD2  LEU  47          2HD2      LEU  47  -6.752   0.226  -0.005
  231   3HD2  LEU  47          3HD2      LEU  47  -7.391   0.576   1.601
  232    H    THR  48           H        THR  48  -6.334  -4.090   3.196
  233    HA   THR  48           HA       THR  48  -3.501  -3.942   3.319
  234    HB   THR  48           HB       THR  48  -5.514  -4.804   5.408
  235    HG1  THR  48           1HG      THR  48  -4.571  -2.386   4.501
  236   1HG2  THR  48          1HG2      THR  48  -3.691  -4.395   7.035
  237   2HG2  THR  48          2HG2      THR  48  -2.566  -4.211   5.688
  238   3HG2  THR  48          3HG2      THR  48  -3.363  -5.759   5.967
  239    H    GLY  49           H        GLY  49  -5.645  -6.626   4.290
  240   1HA   GLY  49          2HA       GLY  49  -3.704  -8.589   4.506
  241   2HA   GLY  49          1HA       GLY  49  -5.389  -8.901   4.127
  242    H    LEU  50           H        LEU  50  -5.265  -7.372   1.611
  243    HA   LEU  50           HA       LEU  50  -4.342  -9.517  -0.058
  244   1HB   LEU  50          2HB       LEU  50  -5.548  -6.828  -0.674
  245   2HB   LEU  50          1HB       LEU  50  -5.057  -7.958  -1.921
  246    HG   LEU  50           HG       LEU  50  -7.177  -8.449   0.172
  247   1HD1  LEU  50          1HD1      LEU  50  -7.422  -8.056  -2.805
  248   2HD1  LEU  50          2HD1      LEU  50  -7.805  -6.840  -1.587
  249   3HD1  LEU  50          3HD1      LEU  50  -8.739  -8.335  -1.665
  250   1HD2  LEU  50          1HD2      LEU  50  -7.642 -10.500  -1.101
  251   2HD2  LEU  50          2HD2      LEU  50  -6.028 -10.512  -0.391
  252   3HD2  LEU  50          3HD2      LEU  50  -6.232 -10.180  -2.112
  253    H    ALA  51           H        ALA  51  -3.524  -6.041   0.053
  254    HA   ALA  51           HA       ALA  51  -1.400  -6.056  -1.699
  255   1HB   ALA  51          1HB       ALA  51  -2.387  -4.020  -0.754
  256   2HB   ALA  51          2HB       ALA  51  -0.630  -4.026  -0.610
  257   3HB   ALA  51          3HB       ALA  51  -1.632  -4.381   0.797
  258    H    ARG  52           H        ARG  52  -1.493  -7.132   1.616
  259    HA   ARG  52           HA       ARG  52   1.333  -7.284   1.983
  260   1HB   ARG  52          2HB       ARG  52  -0.959  -8.618   3.434
  261   2HB   ARG  52          1HB       ARG  52   0.721  -8.719   3.944
  262   1HG   ARG  52          2HG       ARG  52   0.802  -6.494   4.562
  263   2HG   ARG  52          1HG       ARG  52  -0.581  -6.059   3.561
  264   1HD   ARG  52          2HD       ARG  52  -0.919  -6.166   6.100
  265   2HD   ARG  52          1HD       ARG  52  -2.112  -6.957   5.072
  266    HE   ARG  52           HE       ARG  52  -0.312  -8.921   5.673
  267   1HH1  ARG  52          1HH1      ARG  52  -2.295  -6.732   7.527
  268   2HH1  ARG  52          2HH1      ARG  52  -2.455  -7.813   8.872
  269   1HH2  ARG  52          1HH2      ARG  52  -0.514 -10.344   7.443
  270   2HH2  ARG  52          2HH2      ARG  52  -1.442  -9.864   8.824
  271    H    SER  53           H        SER  53  -1.151  -9.462   0.825
  272    HA   SER  53           HA       SER  53   0.688 -11.701   0.662
  273   1HB   SER  53          2HB       SER  53  -1.675 -12.042   1.334
  274   2HB   SER  53          1HB       SER  53  -2.186 -11.491  -0.261
  275    HG   SER  53           HG       SER  53  -0.881 -13.252  -1.105
  276    H    LYS  54           H        LYS  54  -0.213  -9.080  -1.275
  277    HA   LYS  54           HA       LYS  54   0.220 -10.430  -3.809
  278   1HB   LYS  54          2HB       LYS  54  -0.313  -7.533  -3.130
  279   2HB   LYS  54          1HB       LYS  54  -0.097  -8.132  -4.768
  280   1HG   LYS  54          2HG       LYS  54  -2.247  -9.065  -2.881
  281   2HG   LYS  54          1HG       LYS  54  -2.463  -7.832  -4.124
  282   1HD   LYS  54          2HD       LYS  54  -1.919  -9.449  -5.852
  283   2HD   LYS  54          1HD       LYS  54  -1.609 -10.682  -4.628
  284   1HE   LYS  54          2HE       LYS  54  -3.955 -10.511  -3.900
  285   2HE   LYS  54          1HE       LYS  54  -4.250  -9.328  -5.173
  286   1HZ   LYS  54          1HZ       LYS  54  -3.425 -12.154  -5.565
  287   2HZ   LYS  54          2HZ       LYS  54  -3.630 -11.023  -6.806
  288   3HZ   LYS  54          3HZ       LYS  54  -4.958 -11.507  -5.876
  289    H    GLY  55           H        GLY  55   1.772  -7.826  -1.950
  290   1HA   GLY  55          2HA       GLY  55   4.316  -8.312  -1.886
  291   2HA   GLY  55          1HA       GLY  55   4.170  -8.113  -3.626
  292    H    PHE  56           H        PHE  56   2.697  -6.342  -0.921
  293    HA   PHE  56           HA       PHE  56   4.097  -3.920  -1.822
  294   1HB   PHE  56          2HB       PHE  56   1.160  -4.090  -1.118
  295   2HB   PHE  56          1HB       PHE  56   2.039  -2.614  -1.501
  296    HD1  PHE  56           1HD      PHE  56   2.920  -2.268  -3.788
  297    HD2  PHE  56           2HD      PHE  56   0.353  -5.516  -2.814
  298    HE1  PHE  56           1HE      PHE  56   2.421  -2.584  -6.172
  299    HE2  PHE  56           2HE      PHE  56  -0.149  -5.840  -5.200
  300    HZ   PHE  56           HZ       PHE  56   0.886  -4.373  -6.884
  301    H    ARG  57           H        ARG  57   4.789  -2.582  -0.248
  302    HA   ARG  57           HA       ARG  57   4.684  -3.568   2.468
  303   1HB   ARG  57          2HB       ARG  57   6.819  -2.802   1.842
  304   2HB   ARG  57          1HB       ARG  57   6.174  -1.356   1.078
  305   1HG   ARG  57          2HG       ARG  57   5.595  -0.448   3.265
  306   2HG   ARG  57          1HG       ARG  57   6.218  -1.905   4.038
  307   1HD   ARG  57          2HD       ARG  57   8.441  -1.426   3.127
  308   2HD   ARG  57          1HD       ARG  57   7.810   0.037   2.370
  309    HE   ARG  57           HE       ARG  57   7.256   0.728   4.741
  310   1HH1  ARG  57          1HH1      ARG  57   9.942  -1.337   3.936
  311   2HH1  ARG  57          2HH1      ARG  57  10.846  -0.925   5.355
  312   1HH2  ARG  57          1HH2      ARG  57   8.434   1.269   6.607
  313   2HH2  ARG  57          2HH2      ARG  57   9.989   0.553   6.872
  314    H    VAL  58           H        VAL  58   3.252  -2.929   3.943
  315    HA   VAL  58           HA       VAL  58   1.508  -0.677   3.358
  316    HB   VAL  58           HB       VAL  58   1.442  -2.600   5.691
  317   1HG1  VAL  58          1HG1      VAL  58  -0.584  -0.582   4.731
  318   2HG1  VAL  58          2HG1      VAL  58   0.351  -0.501   6.224
  319   3HG1  VAL  58          3HG1      VAL  58  -0.853  -1.770   6.006
  320   1HG2  VAL  58          1HG2      VAL  58  -0.188  -2.568   3.153
  321   2HG2  VAL  58          2HG2      VAL  58  -0.400  -3.679   4.506
  322   3HG2  VAL  58          3HG2      VAL  58   1.082  -3.725   3.550
  323    H    LEU  59           H        LEU  59   2.674   1.161   3.688
  324    HA   LEU  59           HA       LEU  59   4.321   1.569   5.994
  325   1HB   LEU  59          2HB       LEU  59   4.418   2.649   3.605
  326   2HB   LEU  59          1HB       LEU  59   3.278   3.793   4.281
  327    HG   LEU  59           HG       LEU  59   5.591   4.620   4.345
  328   1HD1  LEU  59          1HD1      LEU  59   5.585   5.408   6.603
  329   2HD1  LEU  59          2HD1      LEU  59   4.545   4.080   7.115
  330   3HD1  LEU  59          3HD1      LEU  59   3.919   5.325   6.033
  331   1HD2  LEU  59          1HD2      LEU  59   7.221   3.617   5.848
  332   2HD2  LEU  59          2HD2      LEU  59   6.728   2.473   4.601
  333   3HD2  LEU  59          3HD2      LEU  59   6.086   2.325   6.237
  334    H    ASP  60           H        ASP  60   3.635   2.086   7.967
  335    HA   ASP  60           HA       ASP  60   1.100   3.568   8.223
  336   1HB   ASP  60          2HB       ASP  60   0.534   2.322  10.191
  337   2HB   ASP  60          1HB       ASP  60   0.942   1.158   8.936
  338    H    ALA  61           H        ALA  61   0.962   4.508  10.571
  339    HA   ALA  61           HA       ALA  61   1.720   6.038  12.070
  340   1HB   ALA  61          1HB       ALA  61   3.173   4.208  12.802
  341   2HB   ALA  61          2HB       ALA  61   3.963   5.775  12.976
  342   3HB   ALA  61          3HB       ALA  61   4.395   4.714  11.634
  343    H    CYS  62           H        CYS  62   3.215   7.926  12.345
  344    HA   CYS  62           HA       CYS  62   3.274   9.425   9.930
  345   1HB   CYS  62          2HB       CYS  62   4.400  11.159  11.403
  346   2HB   CYS  62          1HB       CYS  62   2.807  10.623  11.922
  347    HG   CYS  62           HG       CYS  62   3.493   9.592  14.208
  348    H    SER  63           H        SER  63   4.666   8.133   8.605
  349    HA   SER  63           HA       SER  63   7.513   8.677   9.116
  350   1HB   SER  63          2HB       SER  63   7.085   6.302   9.552
  351   2HB   SER  63          1HB       SER  63   6.353   6.131   7.958
  352    HG   SER  63           HG       SER  63   9.045   6.493   8.659
  353    H    SER  64           H        SER  64   8.523   9.687   7.502
  354    HA   SER  64           HA       SER  64   7.065  10.411   5.141
  355   1HB   SER  64          2HB       SER  64   9.931  10.964   5.940
  356   2HB   SER  64          1HB       SER  64   9.102  11.694   4.565
  357    HG   SER  64           HG       SER  64   8.771  12.150   7.297
  358    H    GLU  65           H        GLU  65   8.847   7.717   5.940
  359    HA   GLU  65           HA       GLU  65  10.338   7.232   3.608
  360   1HB   GLU  65          2HB       GLU  65  10.497   5.992   5.807
  361   2HB   GLU  65          1HB       GLU  65   9.044   5.124   5.336
  362   1HG   GLU  65          2HG       GLU  65  10.184   4.237   3.383
  363   2HG   GLU  65          1HG       GLU  65  11.638   5.137   3.811
  364    H    ALA  66           H        ALA  66   6.986   7.310   4.100
  365    HA   ALA  66           HA       ALA  66   6.099   5.350   2.287
  366   1HB   ALA  66          1HB       ALA  66   4.763   7.947   3.041
  367   2HB   ALA  66          2HB       ALA  66   4.620   6.420   3.914
  368   3HB   ALA  66          3HB       ALA  66   3.984   6.562   2.275
  369    H    THR  67           H        THR  67   5.485   5.473   0.121
  370    HA   THR  67           HA       THR  67   6.378   7.856  -1.354
  371    HB   THR  67           HB       THR  67   8.127   6.160  -1.585
  372    HG1  THR  67           1HG      THR  67   8.310   6.699  -3.629
  373   1HG2  THR  67          1HG2      THR  67   5.916   4.424  -2.689
  374   2HG2  THR  67          2HG2      THR  67   6.836   4.144  -1.210
  375   3HG2  THR  67          3HG2      THR  67   7.637   4.045  -2.778
  376    H    HIS  68           H        HIS  68   3.785   6.234  -0.523
  377    HA   HIS  68           HA       HIS  68   2.355   6.927  -2.948
  378   1HB   HIS  68          2HB       HIS  68   2.732   4.113  -2.020
  379   2HB   HIS  68          1HB       HIS  68   1.183   4.568  -2.722
  380    HD1  HIS  68           1HD      HIS  68   4.569   3.560  -3.616
  381    HD2  HIS  68           2HD      HIS  68   1.434   5.575  -5.448
  382    HE1  HIS  68           1HE      HIS  68   5.090   3.520  -6.075
  383    HE2  HIS  68           2HE      HIS  68   3.224   4.826  -7.155
  384    H    VAL  69           H        VAL  69   1.006   8.333  -1.987
  385    HA   VAL  69           HA       VAL  69  -0.369   7.544   0.477
  386    HB   VAL  69           HB       VAL  69  -0.308  10.226  -0.915
  387   1HG1  VAL  69          1HG1      VAL  69  -2.358   9.923   0.350
  388   2HG1  VAL  69          2HG1      VAL  69  -1.303  11.076   1.169
  389   3HG1  VAL  69          3HG1      VAL  69  -1.434   9.422   1.766
  390   1HG2  VAL  69          1HG2      VAL  69   1.114  10.899   0.994
  391   2HG2  VAL  69          2HG2      VAL  69   1.865   9.669  -0.023
  392   3HG2  VAL  69          3HG2      VAL  69   1.150   9.218   1.525
  393    H    VAL  70           H        VAL  70  -2.051   6.270  -0.042
  394    HA   VAL  70           HA       VAL  70  -3.899   7.178  -2.147
  395    HB   VAL  70           HB       VAL  70  -4.808   4.808  -1.968
  396   1HG1  VAL  70          1HG1      VAL  70  -1.943   5.083  -2.867
  397   2HG1  VAL  70          2HG1      VAL  70  -3.346   5.610  -3.796
  398   3HG1  VAL  70          3HG1      VAL  70  -3.121   3.899  -3.433
  399   1HG2  VAL  70          1HG2      VAL  70  -3.136   3.151  -1.099
  400   2HG2  VAL  70          2HG2      VAL  70  -3.934   4.128   0.134
  401   3HG2  VAL  70          3HG2      VAL  70  -2.284   4.506  -0.359
  402    H    MET  71           H        MET  71  -5.963   7.705  -1.649
  403    HA   MET  71           HA       MET  71  -6.996   6.982   0.989
  404   1HB   MET  71          2HB       MET  71  -7.966   9.372   1.089
  405   2HB   MET  71          1HB       MET  71  -6.283   9.121   1.524
  406   1HG   MET  71          2HG       MET  71  -5.856   9.691  -0.985
  407   2HG   MET  71          1HG       MET  71  -7.444  10.445  -0.872
  408   1HE   MET  71          1HE       MET  71  -6.684  12.845   2.277
  409   2HE   MET  71          2HE       MET  71  -7.077  11.132   2.416
  410   3HE   MET  71          3HE       MET  71  -7.976  12.155   1.295
  411    H    GLU  72           H        GLU  72  -9.260   7.036   1.200
  412    HA   GLU  72           HA       GLU  72 -10.638   6.473  -1.308
  413   1HB   GLU  72          2HB       GLU  72 -10.873   4.772   0.339
  414   2HB   GLU  72          1HB       GLU  72 -11.267   5.938   1.592
  415   1HG   GLU  72          2HG       GLU  72 -13.261   4.806   1.017
  416   2HG   GLU  72          1HG       GLU  72 -13.377   6.436   0.354
  417    H    GLU  73           H        GLU  73 -12.456   7.518  -2.012
  418    HA   GLU  73           HA       GLU  73 -13.767   9.333  -2.431
  419   1HB   GLU  73          2HB       GLU  73 -14.156   9.090   0.556
  420   2HB   GLU  73          1HB       GLU  73 -15.181  10.036  -0.514
  421   1HG   GLU  73          2HG       GLU  73 -15.885   8.055  -1.676
  422   2HG   GLU  73          1HG       GLU  73 -14.753   7.068  -0.755
  423    H    THR  74           H        THR  74 -11.428  10.313  -2.698
  424    HA   THR  74           HA       THR  74 -11.458  12.845  -1.211
  425    HB   THR  74           HB       THR  74  -8.957  11.258  -1.814
  426    HG1  THR  74           1HG      THR  74 -10.662  11.299   0.332
  427   1HG2  THR  74          1HG2      THR  74  -8.667  13.713  -1.910
  428   2HG2  THR  74          2HG2      THR  74  -7.792  12.978  -0.567
  429   3HG2  THR  74          3HG2      THR  74  -9.307  13.828  -0.270
  430    H    SER  75           H        SER  75 -11.292  14.589  -2.466
  431    HA   SER  75           HA       SER  75 -10.942  14.230  -5.320
  432   1HB   SER  75          2HB       SER  75 -11.597  16.692  -3.683
  433   2HB   SER  75          1HB       SER  75 -11.543  16.642  -5.444
  434    HG   SER  75           HG       SER  75 -13.249  15.174  -5.415
  435    H    ALA  76           H        ALA  76  -9.769  16.476  -6.203
  436    HA   ALA  76           HA       ALA  76  -7.035  15.946  -5.916
  437   1HB   ALA  76          1HB       ALA  76  -8.016  17.014  -7.892
  438   2HB   ALA  76          2HB       ALA  76  -6.669  17.948  -7.238
  439   3HB   ALA  76          3HB       ALA  76  -8.329  18.467  -6.943
  440    H    GLU  77           H        GLU  77  -8.523  19.080  -5.073
  441    HA   GLU  77           HA       GLU  77  -6.418  19.907  -3.437
  442   1HB   GLU  77          2HB       GLU  77  -7.867  21.675  -2.661
  443   2HB   GLU  77          1HB       GLU  77  -8.112  21.434  -4.384
  444   1HG   GLU  77          2HG       GLU  77  -9.903  20.265  -2.272
  445   2HG   GLU  77          1HG       GLU  77 -10.182  21.827  -3.041
  446    H    GLU  78           H        GLU  78  -9.042  17.768  -2.768
  447    HA   GLU  78           HA       GLU  78  -9.128  18.031   0.041
  448   1HB   GLU  78          2HB       GLU  78  -9.860  15.770  -1.815
  449   2HB   GLU  78          1HB       GLU  78 -10.063  15.655  -0.072
  450   1HG   GLU  78          2HG       GLU  78 -11.329  17.755  -1.817
  451   2HG   GLU  78          1HG       GLU  78 -12.126  16.284  -1.265
  452    H    ALA  79           H        ALA  79  -7.205  15.990  -2.113
  453    HA   ALA  79           HA       ALA  79  -5.858  14.686   0.086
  454   1HB   ALA  79          1HB       ALA  79  -5.298  14.592  -2.878
  455   2HB   ALA  79          2HB       ALA  79  -6.282  13.445  -1.967
  456   3HB   ALA  79          3HB       ALA  79  -4.550  13.564  -1.656
  457    H    VAL  80           H        VAL  80  -5.286  17.344  -2.112
  458    HA   VAL  80           HA       VAL  80  -2.526  17.670  -1.700
  459    HB   VAL  80           HB       VAL  80  -4.642  19.716  -2.385
  460   1HG1  VAL  80          1HG1      VAL  80  -1.637  19.986  -2.436
  461   2HG1  VAL  80          2HG1      VAL  80  -2.754  20.861  -1.390
  462   3HG1  VAL  80          3HG1      VAL  80  -2.772  21.144  -3.131
  463   1HG2  VAL  80          1HG2      VAL  80  -2.616  18.282  -4.098
  464   2HG2  VAL  80          2HG2      VAL  80  -3.767  19.496  -4.655
  465   3HG2  VAL  80          3HG2      VAL  80  -4.345  17.946  -4.043
  466    H    SER  81           H        SER  81  -5.332  19.042  -0.021
  467    HA   SER  81           HA       SER  81  -3.927  20.646   1.801
  468   1HB   SER  81          2HB       SER  81  -6.364  20.827   1.456
  469   2HB   SER  81          1HB       SER  81  -6.585  19.236   2.184
  470    HG   SER  81           HG       SER  81  -5.505  20.204   4.079
  471    H    TRP  82           H        TRP  82  -4.832  17.257   1.819
  472    HA   TRP  82           HA       TRP  82  -4.025  16.680   4.467
  473   1HB   TRP  82          2HB       TRP  82  -5.381  15.012   3.617
  474   2HB   TRP  82          1HB       TRP  82  -4.643  15.078   2.020
  475    HD1  TRP  82           HD       TRP  82  -3.056  13.159   1.459
  476    HE1  TRP  82           1HE      TRP  82  -1.811  11.347   2.795
  477    HE3  TRP  82           3HE      TRP  82  -4.240  14.676   6.200
  478    HZ2  TRP  82           2HZ      TRP  82  -1.385  10.649   5.491
  479    HZ3  TRP  82           3HZ      TRP  82  -3.370  13.377   8.102
  480    HH2  TRP  82           HH       TRP  82  -1.972  11.406   7.752
  481    H    GLN  83           H        GLN  83  -2.366  16.747   1.369
  482    HA   GLN  83           HA       GLN  83   0.033  15.513   2.159
  483   1HB   GLN  83          2HB       GLN  83  -0.533  15.915  -0.198
  484   2HB   GLN  83          1HB       GLN  83  -0.417  17.650   0.063
  485   1HG   GLN  83          2HG       GLN  83   1.964  17.390   0.613
  486   2HG   GLN  83          1HG       GLN  83   1.833  15.663   0.282
  487   1HE2  GLN  83          1HE2      GLN  83   0.146  18.104  -1.560
  488   2HE2  GLN  83          2HE2      GLN  83   1.048  17.903  -3.019
  489    H    GLU  84           H        GLU  84  -1.075  18.856   2.250
  490    HA   GLU  84           HA       GLU  84   1.326  20.027   3.142
  491   1HB   GLU  84          2HB       GLU  84  -1.555  20.872   3.495
  492   2HB   GLU  84          1HB       GLU  84  -0.182  21.875   3.943
  493   1HG   GLU  84          2HG       GLU  84  -0.693  20.844   1.164
  494   2HG   GLU  84          1HG       GLU  84  -1.181  22.436   1.746
  495    H    ARG  85           H        ARG  85  -1.399  18.565   4.816
  496    HA   ARG  85           HA       ARG  85  -0.616  19.258   7.446
  497   1HB   ARG  85          2HB       ARG  85  -2.899  18.533   6.872
  498   2HB   ARG  85          1HB       ARG  85  -2.293  16.928   6.485
  499   1HG   ARG  85          2HG       ARG  85  -3.145  16.658   8.613
  500   2HG   ARG  85          1HG       ARG  85  -1.427  16.920   8.915
  501   1HD   ARG  85          2HD       ARG  85  -2.406  18.322  10.463
  502   2HD   ARG  85          1HD       ARG  85  -2.109  19.417   9.113
  503    HE   ARG  85           HE       ARG  85  -4.537  18.894   8.524
  504   1HH1  ARG  85          1HH1      ARG  85  -3.281  18.989  11.773
  505   2HH1  ARG  85          2HH1      ARG  85  -4.805  19.395  12.488
  506   1HH2  ARG  85          1HH2      ARG  85  -6.549  19.426   9.460
  507   2HH2  ARG  85          2HH2      ARG  85  -6.662  19.640  11.175
  508    H    ARG  86           H        ARG  86   0.136  16.585   5.307
  509    HA   ARG  86           HA       ARG  86   1.432  14.963   7.245
  510   1HB   ARG  86          2HB       ARG  86   0.763  14.788   4.495
  511   2HB   ARG  86          1HB       ARG  86   2.494  14.509   4.627
  512   1HG   ARG  86          2HG       ARG  86   1.922  12.838   6.457
  513   2HG   ARG  86          1HG       ARG  86   0.254  12.970   5.891
  514   1HD   ARG  86          2HD       ARG  86   1.445  11.074   4.871
  515   2HD   ARG  86          1HD       ARG  86   0.912  12.257   3.677
  516    HE   ARG  86           HE       ARG  86   3.226  13.068   3.628
  517   1HH1  ARG  86          1HH1      ARG  86   2.607   9.897   4.927
  518   2HH1  ARG  86          2HH1      ARG  86   4.216   9.325   4.637
  519   1HH2  ARG  86          1HH2      ARG  86   5.343  12.329   3.252
  520   2HH2  ARG  86          2HH2      ARG  86   5.773  10.709   3.691
  521    H    MET  87           H        MET  87   2.604  17.270   4.818
  522    HA   MET  87           HA       MET  87   5.349  16.956   5.386
  523   1HB   MET  87          2HB       MET  87   3.887  19.341   4.233
  524   2HB   MET  87          1HB       MET  87   5.629  19.109   4.204
  525   1HG   MET  87          2HG       MET  87   3.899  17.001   3.024
  526   2HG   MET  87          1HG       MET  87   4.125  18.508   2.139
  527   1HE   MET  87          1HE       MET  87   7.321  15.315   3.001
  528   2HE   MET  87          2HE       MET  87   5.580  15.147   3.232
  529   3HE   MET  87          3HE       MET  87   6.526  16.145   4.338
  530    H    ALA  88           H        ALA  88   2.812  18.839   6.846
  531    HA   ALA  88           HA       ALA  88   4.430  20.649   8.298
  532   1HB   ALA  88          1HB       ALA  88   2.436  21.057   9.647
  533   2HB   ALA  88          2HB       ALA  88   1.659  19.640   8.942
  534   3HB   ALA  88          3HB       ALA  88   2.045  21.032   7.928
  535    H    ALA  89           H        ALA  89   3.482  17.346   8.813
  536    HA   ALA  89           HA       ALA  89   4.374  17.336  11.579
  537   1HB   ALA  89          1HB       ALA  89   3.424  15.050   9.854
  538   2HB   ALA  89          2HB       ALA  89   2.404  16.020  10.915
  539   3HB   ALA  89          3HB       ALA  89   3.678  15.009  11.599
  540    H    ALA  90           H        ALA  90   5.646  16.785   8.459
  541    HA   ALA  90           HA       ALA  90   7.889  15.204   9.476
  542   1HB   ALA  90          1HB       ALA  90   6.803  14.421   7.429
  543   2HB   ALA  90          2HB       ALA  90   8.481  14.877   7.128
  544   3HB   ALA  90          3HB       ALA  90   7.172  15.955   6.643
  545    HA   PRO  91           HA       PRO  91  10.703  18.599   9.738
  546   1HB   PRO  91          2HB       PRO  91  12.708  16.918   8.349
  547   2HB   PRO  91          1HB       PRO  91  12.788  17.682   9.940
  548   1HG   PRO  91          2HG       PRO  91  12.446  15.046   9.695
  549   2HG   PRO  91          1HG       PRO  91  11.627  15.966  10.970
  550   1HD   PRO  91          2HD       PRO  91  10.535  14.910   8.394
  551   2HD   PRO  91          1HD       PRO  91   9.776  14.977   9.999
  552    HA   PRO  92           HA       PRO  92  10.213  20.560   5.729
  553   1HB   PRO  92          2HB       PRO  92  12.245  22.427   6.840
  554   2HB   PRO  92          1HB       PRO  92  10.663  22.775   6.134
  555   1HG   PRO  92          2HG       PRO  92  11.044  22.925   8.765
  556   2HG   PRO  92          1HG       PRO  92   9.532  22.283   8.096
  557   1HD   PRO  92          2HD       PRO  92  11.846  20.826   9.300
  558   2HD   PRO  92          1HD       PRO  92  10.107  20.484   9.422
  559    H    GLY  93           H        GLY  93  11.186  19.319   4.210
  560   1HA   GLY  93          2HA       GLY  93  13.284  19.804   2.756
  561   2HA   GLY  93          1HA       GLY  93  14.118  19.169   4.168
  562    H    CYS  94           H        CYS  94  11.504  17.457   4.394
  563    HA   CYS  94           HA       CYS  94  12.634  15.147   3.108
  564   1HB   CYS  94          2HB       CYS  94  10.004  15.472   4.570
  565   2HB   CYS  94          1HB       CYS  94  10.739  13.942   4.105
  566    HG   CYS  94           HG       CYS  94  12.380  13.712   6.098
  567    H    THR  95           H        THR  95  12.197  14.444   1.123
  568    HA   THR  95           HA       THR  95  10.549  15.827  -0.665
  569    HB   THR  95           HB       THR  95  10.735  13.593  -2.012
  570    HG1  THR  95           1HG      THR  95  12.887  13.166  -0.226
  571   1HG2  THR  95          1HG2      THR  95  11.996  15.621  -2.519
  572   2HG2  THR  95          2HG2      THR  95  13.016  14.192  -2.691
  573   3HG2  THR  95          3HG2      THR  95  13.169  15.217  -1.264
  574    HA   PRO  96           HA       PRO  96   6.584  14.225   0.633
  575   1HB   PRO  96          2HB       PRO  96   5.101  15.217  -1.419
  576   2HB   PRO  96          1HB       PRO  96   5.668  16.209  -0.070
  577   1HG   PRO  96          2HG       PRO  96   6.827  15.904  -2.815
  578   2HG   PRO  96          1HG       PRO  96   6.578  17.382  -1.865
  579   1HD   PRO  96          2HD       PRO  96   8.986  16.184  -2.043
  580   2HD   PRO  96          1HD       PRO  96   8.454  17.016  -0.567
  581    HA   PRO  97           HA       PRO  97   6.337  10.472  -1.760
  582   1HB   PRO  97          2HB       PRO  97   3.950   9.556  -0.844
  583   2HB   PRO  97          1HB       PRO  97   5.435   9.479   0.108
  584   1HG   PRO  97          2HG       PRO  97   3.200  11.462   0.245
  585   2HG   PRO  97          1HG       PRO  97   4.081  10.676   1.568
  586   1HD   PRO  97          2HD       PRO  97   4.612  13.203   0.768
  587   2HD   PRO  97          1HD       PRO  97   5.868  12.122   1.405
  588    H    ALA  98           H        ALA  98   4.501   9.291  -3.054
  589    HA   ALA  98           HA       ALA  98   3.575  11.171  -5.025
  590   1HB   ALA  98          1HB       ALA  98   3.203   8.181  -4.855
  591   2HB   ALA  98          2HB       ALA  98   4.495   9.022  -5.712
  592   3HB   ALA  98          3HB       ALA  98   2.824   9.189  -6.252
  593    H    LEU  99           H        LEU  99   1.897  12.398  -4.316
  594    HA   LEU  99           HA       LEU  99  -0.279  11.342  -2.790
  595   1HB   LEU  99          2HB       LEU  99   0.507  13.725  -2.736
  596   2HB   LEU  99          1HB       LEU  99  -0.159  13.928  -4.342
  597    HG   LEU  99           HG       LEU  99  -2.411  13.372  -3.427
  598   1HD1  LEU  99          1HD1      LEU  99  -0.970  13.513  -0.783
  599   2HD1  LEU  99          2HD1      LEU  99  -1.729  12.085  -1.488
  600   3HD1  LEU  99          3HD1      LEU  99  -2.721  13.458  -0.994
  601   1HD2  LEU  99          1HD2      LEU  99  -1.607  15.698  -3.727
  602   2HD2  LEU  99          2HD2      LEU  99  -1.065  15.691  -2.049
  603   3HD2  LEU  99          3HD2      LEU  99  -2.780  15.525  -2.423
  604    H    LEU 100           H        LEU 100  -1.875  10.115  -3.587
  605    HA   LEU 100           HA       LEU 100  -3.090  10.775  -6.122
  606   1HB   LEU 100          2HB       LEU 100  -2.779   8.147  -6.637
  607   2HB   LEU 100          1HB       LEU 100  -1.739   9.405  -7.278
  608    HG   LEU 100           HG       LEU 100  -0.224   9.002  -5.288
  609   1HD1  LEU 100          1HD1      LEU 100  -0.413   6.916  -4.114
  610   2HD1  LEU 100          2HD1      LEU 100  -1.840   6.474  -5.051
  611   3HD1  LEU 100          3HD1      LEU 100  -1.910   7.825  -3.921
  612   1HD2  LEU 100          1HD2      LEU 100   0.808   7.026  -6.296
  613   2HD2  LEU 100          2HD2      LEU 100   0.321   8.207  -7.511
  614   3HD2  LEU 100          3HD2      LEU 100  -0.650   6.758  -7.252
  615    H    ASP 101           H        ASP 101  -4.593   8.610  -6.630
  616    HA   ASP 101           HA       ASP 101  -6.375   8.542  -4.313
  617   1HB   ASP 101          2HB       ASP 101  -7.278   9.275  -6.491
  618   2HB   ASP 101          1HB       ASP 101  -6.864   7.710  -7.181
  619    H    ILE 102           H        ILE 102  -7.541   6.534  -3.848
  620    HA   ILE 102           HA       ILE 102  -5.765   4.388  -3.367
  621    HB   ILE 102           HB       ILE 102  -7.651   4.906  -1.888
  622   1HG1  ILE 102          2HG1      ILE 102  -8.465   2.608  -1.523
  623   2HG1  ILE 102          1HG1      ILE 102  -7.852   2.142  -3.105
  624   1HG2  ILE 102          1HG2      ILE 102  -9.613   5.402  -2.790
  625   2HG2  ILE 102          2HG2      ILE 102  -9.840   3.680  -3.097
  626   3HG2  ILE 102          3HG2      ILE 102  -9.141   4.714  -4.343
  627   1HD1  ILE 102          1HD1      ILE 102  -5.712   2.042  -2.394
  628   2HD1  ILE 102          2HD1      ILE 102  -6.504   1.741  -0.847
  629   3HD1  ILE 102          3HD1      ILE 102  -5.915   3.355  -1.237
  630    H    SER 103           H        SER 103  -7.543   5.216  -6.118
  631    HA   SER 103           HA       SER 103  -8.296   2.708  -7.125
  632   1HB   SER 103          2HB       SER 103  -8.396   3.805  -9.312
  633   2HB   SER 103          1HB       SER 103  -9.093   4.844  -8.069
  634    HG   SER 103           HG       SER 103  -6.607   5.515  -8.110
  635    H    TRP 104           H        TRP 104  -5.211   4.189  -6.811
  636    HA   TRP 104           HA       TRP 104  -3.860   2.780  -8.879
  637   1HB   TRP 104          2HB       TRP 104  -2.763   4.720  -8.112
  638   2HB   TRP 104          1HB       TRP 104  -2.950   4.265  -6.422
  639    HD1  TRP 104           HD       TRP 104  -0.783   3.501  -9.501
  640    HE1  TRP 104           1HE      TRP 104   1.393   2.374  -8.709
  641    HE3  TRP 104           3HE      TRP 104  -1.934   2.898  -4.557
  642    HZ2  TRP 104           2HZ      TRP 104   2.477   1.364  -6.304
  643    HZ3  TRP 104           3HZ      TRP 104  -0.275   1.843  -3.079
  644    HH2  TRP 104           HH       TRP 104   1.885   1.092  -3.936
  645    H    LEU 105           H        LEU 105  -4.216   2.242  -5.391
  646    HA   LEU 105           HA       LEU 105  -2.605  -0.061  -5.261
  647   1HB   LEU 105          2HB       LEU 105  -3.243   1.285  -3.303
  648   2HB   LEU 105          1HB       LEU 105  -4.902   0.748  -3.479
  649    HG   LEU 105           HG       LEU 105  -4.198  -1.567  -3.018
  650   1HD1  LEU 105          1HD1      LEU 105  -1.487  -0.349  -2.519
  651   2HD1  LEU 105          2HD1      LEU 105  -1.906  -1.416  -3.858
  652   3HD1  LEU 105          3HD1      LEU 105  -1.949  -2.021  -2.202
  653   1HD2  LEU 105          1HD2      LEU 105  -3.709  -1.253  -0.642
  654   2HD2  LEU 105          2HD2      LEU 105  -4.968  -0.149  -1.196
  655   3HD2  LEU 105          3HD2      LEU 105  -3.325   0.442  -0.945
  656    H    THR 106           H        THR 106  -6.143   0.282  -5.520
  657    HA   THR 106           HA       THR 106  -6.897  -2.356  -5.434
  658    HB   THR 106           HB       THR 106  -8.793  -1.720  -6.962
  659    HG1  THR 106           1HG      THR 106  -7.710   0.902  -6.825
  660   1HG2  THR 106          1HG2      THR 106  -8.960  -1.440  -4.544
  661   2HG2  THR 106          2HG2      THR 106  -9.786  -0.124  -5.380
  662   3HG2  THR 106          3HG2      THR 106  -8.197   0.145  -4.664
  663    H    GLU 107           H        GLU 107  -6.063  -0.549  -8.404
  664    HA   GLU 107           HA       GLU 107  -6.211  -2.794 -10.106
  665   1HB   GLU 107          2HB       GLU 107  -4.760  -0.164 -10.399
  666   2HB   GLU 107          1HB       GLU 107  -4.844  -1.369 -11.677
  667   1HG   GLU 107          2HG       GLU 107  -7.301  -1.205 -11.630
  668   2HG   GLU 107          1HG       GLU 107  -7.168   0.066 -10.416
  669    H    SER 108           H        SER 108  -3.605  -1.426  -8.189
  670    HA   SER 108           HA       SER 108  -1.480  -2.894  -9.312
  671   1HB   SER 108          2HB       SER 108  -1.807  -1.799  -6.507
  672   2HB   SER 108          1HB       SER 108  -0.296  -2.412  -7.177
  673    HG   SER 108           HG       SER 108  -0.055  -0.618  -8.254
  674    H    LEU 109           H        LEU 109  -3.917  -3.682  -6.942
  675    HA   LEU 109           HA       LEU 109  -2.657  -6.093  -6.038
  676   1HB   LEU 109          2HB       LEU 109  -5.538  -5.208  -5.805
  677   2HB   LEU 109          1HB       LEU 109  -4.816  -6.557  -4.952
  678    HG   LEU 109           HG       LEU 109  -4.146  -3.639  -4.575
  679   1HD1  LEU 109          1HD1      LEU 109  -5.466  -5.635  -2.746
  680   2HD1  LEU 109          2HD1      LEU 109  -6.272  -4.310  -3.585
  681   3HD1  LEU 109          3HD1      LEU 109  -5.067  -3.966  -2.344
  682   1HD2  LEU 109          1HD2      LEU 109  -2.690  -4.406  -2.756
  683   2HD2  LEU 109          2HD2      LEU 109  -2.142  -4.983  -4.330
  684   3HD2  LEU 109          3HD2      LEU 109  -2.989  -6.077  -3.236
  685    H    GLY 110           H        GLY 110  -4.998  -5.204  -8.492
  686   1HA   GLY 110          2HA       GLY 110  -5.894  -7.807  -9.135
  687   2HA   GLY 110          1HA       GLY 110  -5.977  -6.401 -10.190
  688    H    ALA 111           H        ALA 111  -3.205  -5.858 -10.350
  689    HA   ALA 111           HA       ALA 111  -2.459  -7.894 -12.270
  690   1HB   ALA 111          1HB       ALA 111  -1.085  -5.317 -11.514
  691   2HB   ALA 111          2HB       ALA 111  -2.183  -5.556 -12.873
  692   3HB   ALA 111          3HB       ALA 111  -0.621  -6.375 -12.847
  693    H    GLY 112           H        GLY 112  -1.771  -7.109  -9.010
  694   1HA   GLY 112          2HA       GLY 112  -0.546  -8.305  -7.458
  695   2HA   GLY 112          1HA       GLY 112  -0.058  -9.400  -8.741
  696    H    GLN 113           H        GLN 113   0.454  -6.022  -9.217
  697    HA   GLN 113           HA       GLN 113   3.119  -5.984  -8.130
  698   1HB   GLN 113          2HB       GLN 113   4.266  -5.642 -10.273
  699   2HB   GLN 113          1HB       GLN 113   3.515  -7.230 -10.196
  700   1HG   GLN 113          2HG       GLN 113   1.686  -6.471 -11.581
  701   2HG   GLN 113          1HG       GLN 113   2.343  -4.836 -11.596
  702   1HE2  GLN 113          1HE2      GLN 113   4.172  -4.391 -12.824
  703   2HE2  GLN 113          2HE2      GLN 113   4.732  -5.459 -14.060
  704    HA   PRO 114           HA       PRO 114   2.258  -1.651  -7.961
  705   1HB   PRO 114          2HB       PRO 114   4.765  -0.593  -8.258
  706   2HB   PRO 114          1HB       PRO 114   4.176  -1.312  -6.755
  707   1HG   PRO 114          2HG       PRO 114   5.887  -2.526  -8.893
  708   2HG   PRO 114          1HG       PRO 114   6.060  -2.627  -7.130
  709   1HD   PRO 114          2HD       PRO 114   4.995  -4.638  -8.550
  710   2HD   PRO 114          1HD       PRO 114   4.387  -4.223  -6.933
  711    H    VAL 115           H        VAL 115   1.071  -1.423  -9.884
  712    HA   VAL 115           HA       VAL 115   2.217  -1.236 -12.453
  713    HB   VAL 115           HB       VAL 115   0.080  -0.250 -13.154
  714   1HG1  VAL 115          1HG1      VAL 115  -1.371  -2.120 -12.496
  715   2HG1  VAL 115          2HG1      VAL 115  -0.205  -2.571 -11.250
  716   3HG1  VAL 115          3HG1      VAL 115   0.243  -2.662 -12.953
  717   1HG2  VAL 115          1HG2      VAL 115  -1.712   0.090 -11.499
  718   2HG2  VAL 115          2HG2      VAL 115  -0.352   1.183 -11.245
  719   3HG2  VAL 115          3HG2      VAL 115  -0.557  -0.226 -10.205
  720    HA   PRO 116           HA       PRO 116   3.950   2.834 -12.526
  721   1HB   PRO 116          2HB       PRO 116   2.954   3.113 -15.290
  722   2HB   PRO 116          1HB       PRO 116   4.615   3.122 -14.690
  723   1HG   PRO 116          2HG       PRO 116   3.648   1.049 -16.081
  724   2HG   PRO 116          1HG       PRO 116   4.789   0.818 -14.743
  725   1HD   PRO 116          2HD       PRO 116   1.818   0.439 -14.788
  726   2HD   PRO 116          1HD       PRO 116   3.070  -0.565 -14.026
  727    H    VAL 117           H        VAL 117   2.884   4.334 -11.372
  728    HA   VAL 117           HA       VAL 117   0.162   4.965 -11.634
  729    HB   VAL 117           HB       VAL 117   1.295   5.453  -9.572
  730   1HG1  VAL 117          1HG1      VAL 117   2.957   7.416 -11.146
  731   2HG1  VAL 117          2HG1      VAL 117   3.520   5.899 -10.444
  732   3HG1  VAL 117          3HG1      VAL 117   2.992   7.215  -9.395
  733   1HG2  VAL 117          1HG2      VAL 117   0.648   7.826  -9.241
  734   2HG2  VAL 117          2HG2      VAL 117  -0.598   6.868 -10.042
  735   3HG2  VAL 117          3HG2      VAL 117   0.409   7.970 -10.980
  736    H    GLU 118           H        GLU 118  -0.932   6.296 -12.918
  737    HA   GLU 118           HA       GLU 118   0.580   7.952 -14.814
  738   1HB   GLU 118          2HB       GLU 118  -2.282   6.981 -14.896
  739   2HB   GLU 118          1HB       GLU 118  -1.535   7.998 -16.118
  740   1HG   GLU 118          2HG       GLU 118   0.107   6.193 -16.541
  741   2HG   GLU 118          1HG       GLU 118  -0.783   5.175 -15.408
  742    H    CYS 119           H        CYS 119  -0.677   9.995 -15.495
  743    HA   CYS 119           HA       CYS 119  -0.897  11.695 -13.269
  744   1HB   CYS 119          2HB       CYS 119  -1.955  12.092 -16.078
  745   2HB   CYS 119          1HB       CYS 119  -1.775  13.360 -14.870
  746    HG   CYS 119           HG       CYS 119   1.122  12.562 -14.752
  747    H    ARG 120           H        ARG 120  -3.123   9.592 -14.791
  748    HA   ARG 120           HA       ARG 120  -5.580  10.767 -14.173
  749   1HB   ARG 120          2HB       ARG 120  -4.986   8.642 -15.568
  750   2HB   ARG 120          1HB       ARG 120  -5.166   7.800 -14.035
  751   1HG   ARG 120          2HG       ARG 120  -7.264   7.592 -14.942
  752   2HG   ARG 120          1HG       ARG 120  -7.453   9.027 -13.931
  753   1HD   ARG 120          2HD       ARG 120  -8.454   9.390 -16.114
  754   2HD   ARG 120          1HD       ARG 120  -7.059  10.447 -15.891
  755    HE   ARG 120           HE       ARG 120  -6.498   7.956 -17.241
  756   1HH1  ARG 120          1HH1      ARG 120  -7.385  11.306 -17.578
  757   2HH1  ARG 120          2HH1      ARG 120  -6.847  11.414 -19.221
  758   1HH2  ARG 120          1HH2      ARG 120  -5.790   8.087 -19.399
  759   2HH2  ARG 120          2HH2      ARG 120  -5.941   9.585 -20.256
  760    H    HIS 121           H        HIS 121  -3.971   8.120 -12.402
  761    HA   HIS 121           HA       HIS 121  -5.652   8.346 -10.131
  762   1HB   HIS 121          2HB       HIS 121  -2.924   7.055 -10.351
  763   2HB   HIS 121          1HB       HIS 121  -4.100   6.778  -9.070
  764    HD1  HIS 121           1HD      HIS 121  -6.561   6.618 -11.126
  765    HD2  HIS 121           2HD      HIS 121  -3.035   4.427 -11.270
  766    HE1  HIS 121           1HE      HIS 121  -7.105   4.558 -12.457
  767    HE2  HIS 121           2HE      HIS 121  -4.984   3.201 -12.447
  768    H    ARG 122           H        ARG 122  -2.690   9.881 -11.083
  769    HA   ARG 122           HA       ARG 122  -2.209  10.972  -8.430
  770   1HB   ARG 122          2HB       ARG 122  -0.555  10.345 -10.541
  771   2HB   ARG 122          1HB       ARG 122  -0.682  12.094 -10.672
  772   1HG   ARG 122          2HG       ARG 122   0.103  12.359  -8.405
  773   2HG   ARG 122          1HG       ARG 122   0.130  10.608  -8.183
  774   1HD   ARG 122          2HD       ARG 122   2.365  11.452  -8.622
  775   2HD   ARG 122          1HD       ARG 122   1.821  10.414  -9.939
  776    HE   ARG 122           HE       ARG 122   1.214  12.665 -11.029
  777   1HH1  ARG 122          1HH1      ARG 122   3.939  12.111  -8.930
  778   2HH1  ARG 122          2HH1      ARG 122   4.909  13.352  -9.648
  779   1HH2  ARG 122          1HH2      ARG 122   2.489  14.299 -11.985
  780   2HH2  ARG 122          2HH2      ARG 122   4.087  14.594 -11.383
  781    H    LEU 123           H        LEU 123  -4.649  11.707  -9.116
  782    HA   LEU 123           HA       LEU 123  -4.829  14.103 -10.639
  783   1HB   LEU 123          2HB       LEU 123  -7.115  14.161 -10.022
  784   2HB   LEU 123          1HB       LEU 123  -6.689  12.483 -10.290
  785    HG   LEU 123           HG       LEU 123  -6.770  13.684  -7.527
  786   1HD1  LEU 123          1HD1      LEU 123  -9.002  12.316  -9.021
  787   2HD1  LEU 123          2HD1      LEU 123  -8.959  14.008  -8.526
  788   3HD1  LEU 123          3HD1      LEU 123  -9.017  12.734  -7.308
  789   1HD2  LEU 123          1HD2      LEU 123  -7.072  11.339  -6.864
  790   2HD2  LEU 123          2HD2      LEU 123  -5.559  11.588  -7.734
  791   3HD2  LEU 123          3HD2      LEU 123  -6.938  10.852  -8.553
  792    H    GLU 124           H        GLU 124  -2.967  14.091  -8.232
  793    HA   GLU 124           HA       GLU 124  -4.034  15.792  -6.262
  794   1HB   GLU 124          2HB       GLU 124  -1.582  16.356  -5.831
  795   2HB   GLU 124          1HB       GLU 124  -2.051  14.668  -5.683
  796   1HG   GLU 124          2HG       GLU 124  -0.887  14.033  -7.535
  797   2HG   GLU 124          1HG       GLU 124  -1.023  15.615  -8.300
  Start of MODEL    2
    1   1H    GLY  20          1HT       GLY  20   6.078  -4.449  19.041
    2   2H    GLY  20          2HT       GLY  20   6.422  -3.031  18.177
    3   3H    GLY  20          3HT       GLY  20   7.684  -3.922  18.872
    4   1HA   GLY  20          1HA       GLY  20   7.636  -4.326  16.518
    5   2HA   GLY  20          2HA       GLY  20   7.214  -5.784  17.402
    6    H    THR  21           H        THR  21   6.129  -3.320  15.247
    7    HA   THR  21           HA       THR  21   3.364  -3.907  15.234
    8    HB   THR  21           HB       THR  21   5.008  -2.840  12.927
    9    HG1  THR  21           1HG      THR  21   5.417  -1.508  14.671
   10   1HG2  THR  21          1HG2      THR  21   2.729  -3.453  12.317
   11   2HG2  THR  21          2HG2      THR  21   2.910  -1.696  12.319
   12   3HG2  THR  21          3HG2      THR  21   2.097  -2.502  13.662
   13    HA   PRO  22           HA       PRO  22   3.339  -7.941  13.211
   14   1HB   PRO  22          2HB       PRO  22   0.658  -6.865  12.441
   15   2HB   PRO  22          1HB       PRO  22   1.084  -8.446  13.107
   16   1HG   PRO  22          2HG       PRO  22  -0.039  -6.595  14.649
   17   2HG   PRO  22          1HG       PRO  22   1.254  -7.634  15.276
   18   1HD   PRO  22          2HD       PRO  22   1.355  -4.771  14.443
   19   2HD   PRO  22          1HD       PRO  22   2.238  -5.604  15.740
   20    HA   PRO  23           HA       PRO  23   4.882  -6.671   9.307
   21   1HB   PRO  23          2HB       PRO  23   4.293  -9.010   7.915
   22   2HB   PRO  23          1HB       PRO  23   5.742  -8.719   8.880
   23   1HG   PRO  23          2HG       PRO  23   3.225 -10.146   9.622
   24   2HG   PRO  23          1HG       PRO  23   4.905 -10.546  10.030
   25   1HD   PRO  23          2HD       PRO  23   3.293  -9.414  11.826
   26   2HD   PRO  23          1HD       PRO  23   5.004  -8.945  11.715
   27    H    SER  24           H        SER  24   3.230  -5.078   8.967
   28    HA   SER  24           HA       SER  24   0.910  -5.760   7.393
   29   1HB   SER  24          2HB       SER  24   2.112  -3.034   7.959
   30   2HB   SER  24          1HB       SER  24   0.471  -3.367   7.404
   31    HG   SER  24           HG       SER  24   1.333  -4.580   9.774
   32    H    THR  25           H        THR  25   4.125  -5.509   6.811
   33    HA   THR  25           HA       THR  25   3.717  -5.066   3.950
   34    HB   THR  25           HB       THR  25   4.765  -3.083   4.217
   35    HG1  THR  25           1HG      THR  25   7.198  -3.480   4.333
   36   1HG2  THR  25          1HG2      THR  25   6.258  -2.489   6.078
   37   2HG2  THR  25          2HG2      THR  25   6.107  -4.130   6.708
   38   3HG2  THR  25          3HG2      THR  25   4.692  -3.079   6.636
   39    H    ARG  26           H        ARG  26   4.911  -6.395   2.644
   40    HA   ARG  26           HA       ARG  26   6.660  -8.347   3.991
   41   1HB   ARG  26          2HB       ARG  26   4.388  -9.153   3.086
   42   2HB   ARG  26          1HB       ARG  26   5.079  -8.923   1.489
   43   1HG   ARG  26          2HG       ARG  26   6.437 -10.647   3.532
   44   2HG   ARG  26          1HG       ARG  26   5.128 -11.268   2.531
   45   1HD   ARG  26          2HD       ARG  26   6.389 -10.713   0.520
   46   2HD   ARG  26          1HD       ARG  26   7.691 -10.052   1.508
   47    HE   ARG  26           HE       ARG  26   7.330 -12.651   2.372
   48   1HH1  ARG  26          1HH1      ARG  26   8.242 -11.039  -0.600
   49   2HH1  ARG  26          2HH1      ARG  26   9.169 -12.381  -1.198
   50   1HH2  ARG  26          1HH2      ARG  26   8.548 -14.422   1.588
   51   2HH2  ARG  26          2HH2      ARG  26   9.346 -14.299   0.049
   52    H    PHE  27           H        PHE  27   6.209  -6.136   1.381
   53    HA   PHE  27           HA       PHE  27   8.854  -6.832   0.302
   54   1HB   PHE  27          2HB       PHE  27   7.193  -7.364  -1.355
   55   2HB   PHE  27          1HB       PHE  27   6.385  -5.818  -1.127
   56    HD1  PHE  27           1HD      PHE  27   9.773  -7.111  -2.013
   57    HD2  PHE  27           2HD      PHE  27   6.729  -4.225  -2.730
   58    HE1  PHE  27           1HE      PHE  27  11.116  -6.152  -3.839
   59    HE2  PHE  27           2HE      PHE  27   8.063  -3.256  -4.553
   60    HZ   PHE  27           HZ       PHE  27  10.261  -4.221  -5.111
   61    HA   PRO  28           HA       PRO  28   9.431  -2.671   1.957
   62   1HB   PRO  28          2HB       PRO  28  12.266  -3.246   1.878
   63   2HB   PRO  28          1HB       PRO  28  11.218  -3.058   3.284
   64   1HG   PRO  28          2HG       PRO  28  12.346  -5.431   2.563
   65   2HG   PRO  28          1HG       PRO  28  10.812  -5.306   3.442
   66   1HD   PRO  28          2HD       PRO  28  11.289  -5.771   0.519
   67   2HD   PRO  28          1HD       PRO  28  10.110  -6.543   1.604
   68    H    GLY  29           H        GLY  29   8.950  -2.837  -0.764
   69   1HA   GLY  29          2HA       GLY  29  11.127  -1.172  -1.871
   70   2HA   GLY  29          1HA       GLY  29  10.016  -2.126  -2.847
   71    H    VAL  30           H        VAL  30   7.880  -1.453  -3.062
   72    HA   VAL  30           HA       VAL  30   7.532   1.393  -3.088
   73    HB   VAL  30           HB       VAL  30   6.492   0.134  -4.848
   74   1HG1  VAL  30          1HG1      VAL  30   4.586  -1.368  -4.463
   75   2HG1  VAL  30          2HG1      VAL  30   4.846  -1.223  -2.724
   76   3HG1  VAL  30          3HG1      VAL  30   6.078  -1.973  -3.740
   77   1HG2  VAL  30          1HG2      VAL  30   4.435   1.349  -3.022
   78   2HG2  VAL  30          2HG2      VAL  30   4.178   0.978  -4.728
   79   3HG2  VAL  30          3HG2      VAL  30   5.381   2.182  -4.256
   80    H    ALA  31           H        ALA  31   6.333   2.670  -1.735
   81    HA   ALA  31           HA       ALA  31   5.567   1.397   0.800
   82   1HB   ALA  31          1HB       ALA  31   6.758   4.125   0.313
   83   2HB   ALA  31          2HB       ALA  31   7.568   2.749   1.058
   84   3HB   ALA  31          3HB       ALA  31   6.208   3.524   1.877
   85    H    ILE  32           H        ILE  32   3.559   1.827   1.547
   86    HA   ILE  32           HA       ILE  32   1.890   3.582  -0.134
   87    HB   ILE  32           HB       ILE  32   0.986   1.024   1.166
   88   1HG1  ILE  32          2HG1      ILE  32   1.823   1.402  -1.721
   89   2HG1  ILE  32          1HG1      ILE  32   2.804   0.594  -0.503
   90   1HG2  ILE  32          1HG2      ILE  32  -0.736   2.628   0.636
   91   2HG2  ILE  32          2HG2      ILE  32  -0.860   1.215  -0.410
   92   3HG2  ILE  32          3HG2      ILE  32  -0.166   2.718  -1.029
   93   1HD1  ILE  32          1HD1      ILE  32   0.083  -0.292  -1.424
   94   2HD1  ILE  32          2HD1      ILE  32   1.109  -1.116  -0.248
   95   3HD1  ILE  32          3HD1      ILE  32   1.624  -0.985  -1.929
   96    H    TYR  33           H        TYR  33   0.938   5.173   1.079
   97    HA   TYR  33           HA       TYR  33   0.621   4.631   3.949
   98   1HB   TYR  33          2HB       TYR  33   2.156   6.538   3.362
   99   2HB   TYR  33          1HB       TYR  33   0.792   7.332   2.583
  100    HD1  TYR  33           1HD      TYR  33  -1.092   8.186   3.949
  101    HD2  TYR  33           2HD      TYR  33   2.374   6.498   5.744
  102    HE1  TYR  33           1HE      TYR  33  -1.726   9.191   6.100
  103    HE2  TYR  33           2HE      TYR  33   1.749   7.492   7.900
  104    HH   TYR  33           HH       TYR  33  -1.252   8.695   8.597
  105    H    LEU  34           H        LEU  34  -1.416   4.681   4.725
  106    HA   LEU  34           HA       LEU  34  -3.515   5.332   2.776
  107   1HB   LEU  34          2HB       LEU  34  -3.743   3.444   5.112
  108   2HB   LEU  34          1HB       LEU  34  -4.931   3.729   3.848
  109    HG   LEU  34           HG       LEU  34  -2.268   2.753   2.972
  110   1HD1  LEU  34          1HD1      LEU  34  -4.293   0.955   4.294
  111   2HD1  LEU  34          2HD1      LEU  34  -2.721   1.391   4.965
  112   3HD1  LEU  34          3HD1      LEU  34  -2.813   0.450   3.475
  113   1HD2  LEU  34          1HD2      LEU  34  -3.608   1.572   1.355
  114   2HD2  LEU  34          2HD2      LEU  34  -4.130   3.257   1.422
  115   3HD2  LEU  34          3HD2      LEU  34  -5.087   2.003   2.212
  116    H    VAL  35           H        VAL  35  -4.922   6.833   3.334
  117    HA   VAL  35           HA       VAL  35  -4.607   8.233   5.817
  118    HB   VAL  35           HB       VAL  35  -6.595   9.549   4.958
  119   1HG1  VAL  35          1HG1      VAL  35  -4.115   9.369   3.256
  120   2HG1  VAL  35          2HG1      VAL  35  -4.317  10.345   4.711
  121   3HG1  VAL  35          3HG1      VAL  35  -5.244  10.723   3.257
  122   1HG2  VAL  35          1HG2      VAL  35  -7.170   9.320   2.606
  123   2HG2  VAL  35          2HG2      VAL  35  -7.505   7.820   3.473
  124   3HG2  VAL  35          3HG2      VAL  35  -6.069   7.952   2.459
  125    H    GLU  36           H        GLU  36  -5.126   6.598   7.331
  126    HA   GLU  36           HA       GLU  36  -7.427   5.065   7.367
  127   1HB   GLU  36          2HB       GLU  36  -5.922   6.131   9.750
  128   2HB   GLU  36          1HB       GLU  36  -7.069   4.797   9.778
  129   1HG   GLU  36          2HG       GLU  36  -5.562   3.687   8.054
  130   2HG   GLU  36          1HG       GLU  36  -4.371   4.916   8.480
  131    HA   PRO  37           HA       PRO  37  -9.770   8.630   9.721
  132   1HB   PRO  37          2HB       PRO  37  -8.871  11.147   9.210
  133   2HB   PRO  37          1HB       PRO  37  -8.383  10.211  10.627
  134   1HG   PRO  37          2HG       PRO  37  -6.947  10.598   8.025
  135   2HG   PRO  37          1HG       PRO  37  -6.305  10.672   9.678
  136   1HD   PRO  37          2HD       PRO  37  -5.985   8.495   8.143
  137   2HD   PRO  37          1HD       PRO  37  -6.251   8.368   9.895
  138    H    ARG  38           H        ARG  38  -8.913   8.021   6.654
  139    HA   ARG  38           HA       ARG  38 -11.295   9.308   5.584
  140   1HB   ARG  38          2HB       ARG  38  -9.092  10.729   5.248
  141   2HB   ARG  38          1HB       ARG  38  -8.765   9.552   3.986
  142   1HG   ARG  38          2HG       ARG  38  -9.799  11.513   3.047
  143   2HG   ARG  38          1HG       ARG  38 -10.901  10.142   2.915
  144   1HD   ARG  38          2HD       ARG  38 -12.213  10.918   4.736
  145   2HD   ARG  38          1HD       ARG  38 -11.012  12.133   5.164
  146    HE   ARG  38           HE       ARG  38 -11.601  13.115   2.876
  147   1HH1  ARG  38          1HH1      ARG  38 -13.865  11.328   4.856
  148   2HH1  ARG  38          2HH1      ARG  38 -15.245  12.255   4.342
  149   1HH2  ARG  38          1HH2      ARG  38 -13.403  14.327   2.186
  150   2HH2  ARG  38          2HH2      ARG  38 -14.986  13.953   2.809
  151    H    MET  39           H        MET  39 -10.724   6.659   6.268
  152    HA   MET  39           HA       MET  39 -10.951   5.247   3.763
  153   1HB   MET  39          2HB       MET  39  -8.489   5.427   4.117
  154   2HB   MET  39          1HB       MET  39  -8.681   4.645   5.680
  155   1HG   MET  39          2HG       MET  39  -7.938   2.970   4.238
  156   2HG   MET  39          1HG       MET  39  -9.668   2.686   4.417
  157   1HE   MET  39          1HE       MET  39  -7.899   5.467   2.255
  158   2HE   MET  39          2HE       MET  39  -7.744   4.639   0.706
  159   3HE   MET  39          3HE       MET  39  -6.829   4.074   2.105
  160    H    GLY  40           H        GLY  40 -12.204   3.475   4.057
  161   1HA   GLY  40          2HA       GLY  40 -13.270   2.991   6.703
  162   2HA   GLY  40          1HA       GLY  40 -13.812   2.245   5.206
  163    H    ARG  41           H        ARG  41 -12.955   1.278   7.968
  164    HA   ARG  41           HA       ARG  41 -10.782  -0.371   7.897
  165   1HB   ARG  41          2HB       ARG  41 -12.321  -0.262   9.836
  166   2HB   ARG  41          1HB       ARG  41 -13.459  -1.281   8.959
  167   1HG   ARG  41          2HG       ARG  41 -11.723  -3.033   8.813
  168   2HG   ARG  41          1HG       ARG  41 -10.667  -2.025   9.799
  169   1HD   ARG  41          2HD       ARG  41 -12.328  -2.102  11.609
  170   2HD   ARG  41          1HD       ARG  41 -13.331  -3.163  10.619
  171    HE   ARG  41           HE       ARG  41 -10.788  -4.303  10.799
  172   1HH1  ARG  41          1HH1      ARG  41 -13.480  -3.564  12.927
  173   2HH1  ARG  41          2HH1      ARG  41 -13.141  -4.887  14.004
  174   1HH2  ARG  41          1HH2      ARG  41 -10.360  -6.028  12.218
  175   2HH2  ARG  41          2HH2      ARG  41 -11.367  -6.268  13.615
  176    H    SER  42           H        SER  42 -13.911  -1.103   6.330
  177    HA   SER  42           HA       SER  42 -13.258  -3.702   5.535
  178   1HB   SER  42          2HB       SER  42 -14.966  -3.324   3.710
  179   2HB   SER  42          1HB       SER  42 -15.526  -2.988   5.346
  180    HG   SER  42           HG       SER  42 -15.755  -1.393   3.375
  181    H    ARG  43           H        ARG  43 -12.657  -0.606   3.925
  182    HA   ARG  43           HA       ARG  43 -11.304  -1.571   1.656
  183   1HB   ARG  43          2HB       ARG  43 -11.646   0.963   3.052
  184   2HB   ARG  43          1HB       ARG  43 -10.030   0.803   2.384
  185   1HG   ARG  43          2HG       ARG  43 -12.551   0.433   0.785
  186   2HG   ARG  43          1HG       ARG  43 -11.675   1.958   0.915
  187   1HD   ARG  43          2HD       ARG  43  -9.631   0.584   0.133
  188   2HD   ARG  43          1HD       ARG  43 -10.828  -0.604  -0.393
  189    HE   ARG  43           HE       ARG  43 -10.697   2.190  -1.368
  190   1HH1  ARG  43          1HH1      ARG  43 -11.483  -1.191  -1.848
  191   2HH1  ARG  43          2HH1      ARG  43 -11.950  -0.980  -3.505
  192   1HH2  ARG  43          1HH2      ARG  43 -11.303   2.472  -3.528
  193   2HH2  ARG  43          2HH2      ARG  43 -11.786   1.103  -4.486
  194    H    ARG  44           H        ARG  44 -10.014  -0.332   4.718
  195    HA   ARG  44           HA       ARG  44  -7.317  -0.796   4.283
  196   1HB   ARG  44          2HB       ARG  44  -8.158   0.533   6.143
  197   2HB   ARG  44          1HB       ARG  44  -8.850  -0.902   6.879
  198   1HG   ARG  44          2HG       ARG  44  -6.919  -0.630   8.088
  199   2HG   ARG  44          1HG       ARG  44  -6.424  -1.790   6.850
  200   1HD   ARG  44          2HD       ARG  44  -5.059  -0.311   5.811
  201   2HD   ARG  44          1HD       ARG  44  -6.077   1.076   6.204
  202    HE   ARG  44           HE       ARG  44  -5.041   1.226   8.319
  203   1HH1  ARG  44          1HH1      ARG  44  -3.662  -1.370   6.385
  204   2HH1  ARG  44          2HH1      ARG  44  -2.211  -1.453   7.331
  205   1HH2  ARG  44          1HH2      ARG  44  -3.150   1.112   9.543
  206   2HH2  ARG  44          2HH2      ARG  44  -1.914  -0.040   9.132
  207    H    ALA  45           H        ALA  45  -9.700  -2.916   5.771
  208    HA   ALA  45           HA       ALA  45  -7.893  -4.936   6.551
  209   1HB   ALA  45          1HB       ALA  45 -10.137  -4.734   7.497
  210   2HB   ALA  45          2HB       ALA  45  -9.841  -6.354   6.867
  211   3HB   ALA  45          3HB       ALA  45 -10.831  -5.217   5.951
  212    H    PHE  46           H        PHE  46 -10.027  -4.703   3.724
  213    HA   PHE  46           HA       PHE  46  -9.243  -7.123   2.556
  214   1HB   PHE  46          2HB       PHE  46 -11.002  -6.596   1.299
  215   2HB   PHE  46          1HB       PHE  46 -11.005  -4.969   1.957
  216    HD1  PHE  46           1HD      PHE  46 -10.006  -7.076  -0.860
  217    HD2  PHE  46           2HD      PHE  46 -10.066  -3.122   0.715
  218    HE1  PHE  46           1HE      PHE  46  -9.472  -6.178  -3.089
  219    HE2  PHE  46           2HE      PHE  46  -9.529  -2.223  -1.503
  220    HZ   PHE  46           HZ       PHE  46  -9.231  -3.747  -3.413
  221    H    LEU  47           H        LEU  47  -7.927  -3.844   2.149
  222    HA   LEU  47           HA       LEU  47  -6.169  -4.643   0.042
  223   1HB   LEU  47          2HB       LEU  47  -5.324  -2.434   0.078
  224   2HB   LEU  47          1HB       LEU  47  -7.043  -2.315   0.386
  225    HG   LEU  47           HG       LEU  47  -6.188  -2.322   2.905
  226   1HD1  LEU  47          1HD1      LEU  47  -3.830  -2.520   2.335
  227   2HD1  LEU  47          2HD1      LEU  47  -4.160  -0.969   3.107
  228   3HD1  LEU  47          3HD1      LEU  47  -3.928  -1.051   1.361
  229   1HD2  LEU  47          1HD2      LEU  47  -7.614  -0.632   1.894
  230   2HD2  LEU  47          2HD2      LEU  47  -6.225   0.067   1.058
  231   3HD2  LEU  47          3HD2      LEU  47  -6.322   0.136   2.818
  232    H    THR  48           H        THR  48  -5.697  -3.937   3.506
  233    HA   THR  48           HA       THR  48  -2.949  -4.372   3.589
  234    HB   THR  48           HB       THR  48  -4.928  -4.982   5.796
  235    HG1  THR  48           1HG      THR  48  -5.227  -2.869   5.242
  236   1HG2  THR  48          1HG2      THR  48  -2.006  -4.233   5.954
  237   2HG2  THR  48          2HG2      THR  48  -2.646  -5.862   6.173
  238   3HG2  THR  48          3HG2      THR  48  -3.079  -4.580   7.310
  239    H    GLY  49           H        GLY  49  -5.638  -6.623   3.821
  240   1HA   GLY  49          2HA       GLY  49  -4.059  -8.918   4.434
  241   2HA   GLY  49          1HA       GLY  49  -5.702  -8.929   3.799
  242    H    LEU  50           H        LEU  50  -5.559  -7.782   1.400
  243    HA   LEU  50           HA       LEU  50  -4.441  -9.870  -0.144
  244   1HB   LEU  50          2HB       LEU  50  -5.580  -7.204  -0.936
  245   2HB   LEU  50          1HB       LEU  50  -4.980  -8.358  -2.113
  246    HG   LEU  50           HG       LEU  50  -7.289  -8.758  -0.213
  247   1HD1  LEU  50          1HD1      LEU  50  -8.593  -8.908  -2.268
  248   2HD1  LEU  50          2HD1      LEU  50  -7.138  -8.602  -3.217
  249   3HD1  LEU  50          3HD1      LEU  50  -7.771  -7.354  -2.145
  250   1HD2  LEU  50          1HD2      LEU  50  -5.991 -10.823  -0.466
  251   2HD2  LEU  50          2HD2      LEU  50  -6.116 -10.681  -2.218
  252   3HD2  LEU  50          3HD2      LEU  50  -7.565 -10.940  -1.249
  253    H    ALA  51           H        ALA  51  -3.459  -6.442   0.110
  254    HA   ALA  51           HA       ALA  51  -1.358  -6.561  -1.683
  255   1HB   ALA  51          1HB       ALA  51  -0.612  -4.503  -0.770
  256   2HB   ALA  51          2HB       ALA  51  -1.446  -4.809   0.754
  257   3HB   ALA  51          3HB       ALA  51  -2.376  -4.520  -0.718
  258    H    ARG  52           H        ARG  52  -1.298  -7.333   1.800
  259    HA   ARG  52           HA       ARG  52   1.540  -7.630   1.884
  260   1HB   ARG  52          2HB       ARG  52   1.264  -8.557   4.074
  261   2HB   ARG  52          1HB       ARG  52   0.114  -7.240   3.907
  262   1HG   ARG  52          2HG       ARG  52  -1.652  -8.910   3.420
  263   2HG   ARG  52          1HG       ARG  52  -0.481 -10.189   3.744
  264   1HD   ARG  52          2HD       ARG  52  -1.374  -8.064   5.693
  265   2HD   ARG  52          1HD       ARG  52  -1.914  -9.739   5.680
  266    HE   ARG  52           HE       ARG  52   0.919  -9.064   6.084
  267   1HH1  ARG  52          1HH1      ARG  52  -2.041 -10.592   7.135
  268   2HH1  ARG  52          2HH1      ARG  52  -1.299 -11.400   8.483
  269   1HH2  ARG  52          1HH2      ARG  52   1.907 -10.110   7.868
  270   2HH2  ARG  52          2HH2      ARG  52   0.947 -11.114   8.904
  271    H    SER  53           H        SER  53  -1.030  -9.588   0.785
  272    HA   SER  53           HA       SER  53   0.504 -12.056   0.838
  273   1HB   SER  53          2HB       SER  53  -2.161 -11.504  -0.492
  274   2HB   SER  53          1HB       SER  53  -1.460 -13.085  -0.147
  275    HG   SER  53           HG       SER  53  -2.403 -11.148   1.704
  276    H    LYS  54           H        LYS  54   0.054  -9.360  -1.222
  277    HA   LYS  54           HA       LYS  54   0.799 -10.828  -3.639
  278   1HB   LYS  54          2HB       LYS  54   0.288  -7.862  -3.359
  279   2HB   LYS  54          1HB       LYS  54   0.372  -8.783  -4.850
  280   1HG   LYS  54          2HG       LYS  54  -1.761  -9.013  -2.742
  281   2HG   LYS  54          1HG       LYS  54  -1.912  -8.193  -4.294
  282   1HD   LYS  54          2HD       LYS  54  -1.413 -10.397  -5.388
  283   2HD   LYS  54          1HD       LYS  54  -1.549 -11.137  -3.791
  284   1HE   LYS  54          2HE       LYS  54  -3.838 -10.243  -3.602
  285   2HE   LYS  54          1HE       LYS  54  -3.696  -9.580  -5.227
  286   1HZ   LYS  54          1HZ       LYS  54  -4.831 -11.595  -5.463
  287   2HZ   LYS  54          2HZ       LYS  54  -3.789 -12.422  -4.412
  288   3HZ   LYS  54          3HZ       LYS  54  -3.242 -11.949  -5.949
  289    H    GLY  55           H        GLY  55   1.911  -7.943  -1.890
  290   1HA   GLY  55          2HA       GLY  55   4.533  -8.256  -1.660
  291   2HA   GLY  55          1HA       GLY  55   4.429  -8.014  -3.395
  292    H    PHE  56           H        PHE  56   3.110  -6.444  -0.445
  293    HA   PHE  56           HA       PHE  56   4.047  -3.901  -1.560
  294   1HB   PHE  56          2HB       PHE  56   1.221  -4.473  -0.671
  295   2HB   PHE  56          1HB       PHE  56   1.860  -2.845  -0.882
  296    HD1  PHE  56           1HD      PHE  56   2.676  -2.148  -3.147
  297    HD2  PHE  56           2HD      PHE  56   0.453  -5.718  -2.507
  298    HE1  PHE  56           1HE      PHE  56   2.112  -2.222  -5.538
  299    HE2  PHE  56           2HE      PHE  56  -0.114  -5.800  -4.898
  300    HZ   PHE  56           HZ       PHE  56   0.717  -4.052  -6.416
  301    H    ARG  57           H        ARG  57   4.766  -2.445  -0.130
  302    HA   ARG  57           HA       ARG  57   4.738  -3.124   2.699
  303   1HB   ARG  57          2HB       ARG  57   6.859  -2.476   1.662
  304   2HB   ARG  57          1HB       ARG  57   6.157  -0.935   1.205
  305   1HG   ARG  57          2HG       ARG  57   5.745  -1.045   3.926
  306   2HG   ARG  57          1HG       ARG  57   7.341  -1.763   3.713
  307   1HD   ARG  57          2HD       ARG  57   6.417   0.937   2.748
  308   2HD   ARG  57          1HD       ARG  57   7.571   0.614   4.040
  309    HE   ARG  57           HE       ARG  57   8.129  -0.140   1.242
  310   1HH1  ARG  57          1HH1      ARG  57   9.028   1.424   4.227
  311   2HH1  ARG  57          2HH1      ARG  57  10.592   1.928   3.668
  312   1HH2  ARG  57          1HH2      ARG  57  10.207   0.490   0.482
  313   2HH2  ARG  57          2HH2      ARG  57  11.282   1.337   1.546
  314    H    VAL  58           H        VAL  58   2.771  -2.487   3.545
  315    HA   VAL  58           HA       VAL  58   1.650   0.039   3.163
  316    HB   VAL  58           HB       VAL  58   1.478  -1.987   5.362
  317   1HG1  VAL  58          1HG1      VAL  58  -0.550  -0.806   6.139
  318   2HG1  VAL  58          2HG1      VAL  58  -0.243   0.471   4.962
  319   3HG1  VAL  58          3HG1      VAL  58   0.891   0.201   6.285
  320   1HG2  VAL  58          1HG2      VAL  58  -0.381  -1.315   3.087
  321   2HG2  VAL  58          2HG2      VAL  58  -0.727  -2.483   4.361
  322   3HG2  VAL  58          3HG2      VAL  58   0.612  -2.763   3.248
  323    H    LEU  59           H        LEU  59   2.542   1.844   3.672
  324    HA   LEU  59           HA       LEU  59   4.400   2.149   5.900
  325   1HB   LEU  59          2HB       LEU  59   4.641   3.106   3.484
  326   2HB   LEU  59          1HB       LEU  59   3.459   4.290   3.990
  327    HG   LEU  59           HG       LEU  59   5.802   5.091   4.070
  328   1HD1  LEU  59          1HD1      LEU  59   4.362   5.001   6.710
  329   2HD1  LEU  59          2HD1      LEU  59   4.156   6.194   5.425
  330   3HD1  LEU  59          3HD1      LEU  59   5.681   6.099   6.304
  331   1HD2  LEU  59          1HD2      LEU  59   7.274   4.313   5.843
  332   2HD2  LEU  59          2HD2      LEU  59   6.875   3.019   4.713
  333   3HD2  LEU  59          3HD2      LEU  59   6.091   3.084   6.293
  334    H    ASP  60           H        ASP  60   3.381   2.427   7.831
  335    HA   ASP  60           HA       ASP  60   0.880   3.982   7.850
  336   1HB   ASP  60          2HB       ASP  60  -0.046   2.481   9.537
  337   2HB   ASP  60          1HB       ASP  60   0.392   1.573   8.097
  338    H    ALA  61           H        ALA  61   3.397   5.043   8.269
  339    HA   ALA  61           HA       ALA  61   3.280   5.751  11.118
  340   1HB   ALA  61          1HB       ALA  61   5.794   5.270   9.517
  341   2HB   ALA  61          2HB       ALA  61   5.151   4.212  10.771
  342   3HB   ALA  61          3HB       ALA  61   5.723   5.825  11.189
  343    H    CYS  62           H        CYS  62   4.257   7.850  11.585
  344    HA   CYS  62           HA       CYS  62   3.323   9.822   9.768
  345   1HB   CYS  62          2HB       CYS  62   4.348  11.412  11.442
  346   2HB   CYS  62          1HB       CYS  62   3.160  10.285  12.088
  347    HG   CYS  62           HG       CYS  62   4.930   8.657  13.368
  348    H    SER  63           H        SER  63   6.092   8.059   9.665
  349    HA   SER  63           HA       SER  63   8.036   9.953   8.905
  350   1HB   SER  63          2HB       SER  63   7.843   7.074   7.994
  351   2HB   SER  63          1HB       SER  63   9.299   8.062   8.126
  352    HG   SER  63           HG       SER  63   9.125   6.709   9.926
  353    H    SER  64           H        SER  64   8.832  10.439   6.783
  354    HA   SER  64           HA       SER  64   6.660  10.614   4.832
  355   1HB   SER  64          2HB       SER  64   9.336  12.019   4.931
  356   2HB   SER  64          1HB       SER  64   8.061  12.329   3.750
  357    HG   SER  64           HG       SER  64   8.218  13.035   6.434
  358    H    GLU  65           H        GLU  65   8.799   8.364   5.450
  359    HA   GLU  65           HA       GLU  65  10.220   7.939   3.053
  360   1HB   GLU  65          2HB       GLU  65  10.699   6.870   5.277
  361   2HB   GLU  65          1HB       GLU  65   9.300   5.835   5.025
  362   1HG   GLU  65          2HG       GLU  65  10.343   4.915   3.018
  363   2HG   GLU  65          1HG       GLU  65  11.747   5.952   3.275
  364    H    ALA  66           H        ALA  66   6.929   7.828   3.599
  365    HA   ALA  66           HA       ALA  66   6.179   5.614   1.977
  366   1HB   ALA  66          1HB       ALA  66   4.609   8.086   2.697
  367   2HB   ALA  66          2HB       ALA  66   4.650   6.579   3.615
  368   3HB   ALA  66          3HB       ALA  66   3.951   6.607   1.995
  369    H    THR  67           H        THR  67   5.731   5.534  -0.195
  370    HA   THR  67           HA       THR  67   6.234   7.993  -1.729
  371    HB   THR  67           HB       THR  67   8.158   6.469  -1.927
  372    HG1  THR  67           1HG      THR  67   8.084   7.428  -3.829
  373   1HG2  THR  67          1HG2      THR  67   6.136   4.500  -2.998
  374   2HG2  THR  67          2HG2      THR  67   7.092   4.344  -1.521
  375   3HG2  THR  67          3HG2      THR  67   7.888   4.304  -3.093
  376    H    HIS  68           H        HIS  68   3.748   7.525  -0.988
  377    HA   HIS  68           HA       HIS  68   2.059   7.348  -3.068
  378   1HB   HIS  68          2HB       HIS  68   2.793   4.582  -2.213
  379   2HB   HIS  68          1HB       HIS  68   1.093   4.902  -2.536
  380    HD1  HIS  68           1HD      HIS  68   3.451   3.248  -4.211
  381    HD2  HIS  68           2HD      HIS  68   1.422   6.714  -5.235
  382    HE1  HIS  68           1HE      HIS  68   3.645   3.422  -6.706
  383    HE2  HIS  68           2HE      HIS  68   2.681   5.683  -7.247
  384    H    VAL  69           H        VAL  69   0.813   8.748  -1.870
  385    HA   VAL  69           HA       VAL  69  -0.406   7.624   0.550
  386    HB   VAL  69           HB       VAL  69  -0.499  10.445  -0.555
  387   1HG1  VAL  69          1HG1      VAL  69  -1.675   9.293   1.974
  388   2HG1  VAL  69          2HG1      VAL  69  -2.580   9.842   0.563
  389   3HG1  VAL  69          3HG1      VAL  69  -1.664  10.999   1.531
  390   1HG2  VAL  69          1HG2      VAL  69   1.668   9.886   0.428
  391   2HG2  VAL  69          2HG2      VAL  69   0.866   9.320   1.895
  392   3HG2  VAL  69          3HG2      VAL  69   0.792  11.025   1.452
  393    H    VAL  70           H        VAL  70  -2.383   6.778   0.337
  394    HA   VAL  70           HA       VAL  70  -3.863   7.243  -2.183
  395    HB   VAL  70           HB       VAL  70  -4.755   4.839  -1.517
  396   1HG1  VAL  70          1HG1      VAL  70  -3.129   3.875  -3.072
  397   2HG1  VAL  70          2HG1      VAL  70  -2.109   5.303  -2.892
  398   3HG1  VAL  70          3HG1      VAL  70  -3.699   5.442  -3.642
  399   1HG2  VAL  70          1HG2      VAL  70  -3.387   4.723   0.528
  400   2HG2  VAL  70          2HG2      VAL  70  -1.934   4.783  -0.471
  401   3HG2  VAL  70          3HG2      VAL  70  -3.039   3.413  -0.602
  402    H    MET  71           H        MET  71  -5.706   8.220  -1.849
  403    HA   MET  71           HA       MET  71  -6.993   7.957   0.784
  404   1HB   MET  71          2HB       MET  71  -7.157  10.278  -1.149
  405   2HB   MET  71          1HB       MET  71  -7.918  10.195   0.435
  406   1HG   MET  71          2HG       MET  71  -5.562   9.896   1.358
  407   2HG   MET  71          1HG       MET  71  -5.002  10.403  -0.232
  408   1HE   MET  71          1HE       MET  71  -7.548  13.084   2.543
  409   2HE   MET  71          2HE       MET  71  -7.048  11.447   2.966
  410   3HE   MET  71          3HE       MET  71  -8.219  11.703   1.674
  411    H    GLU  72           H        GLU  72  -9.245   7.804   0.875
  412    HA   GLU  72           HA       GLU  72 -10.466   6.799  -1.603
  413   1HB   GLU  72          2HB       GLU  72 -10.287   5.132   0.189
  414   2HB   GLU  72          1HB       GLU  72 -11.147   6.200   1.287
  415   1HG   GLU  72          2HG       GLU  72 -12.560   4.401   0.408
  416   2HG   GLU  72          1HG       GLU  72 -13.158   6.003  -0.025
  417    H    GLU  73           H        GLU  73 -12.387   7.603  -2.287
  418    HA   GLU  73           HA       GLU  73 -13.895   9.251  -2.721
  419   1HB   GLU  73          2HB       GLU  73 -14.249   9.159   0.284
  420   2HB   GLU  73          1HB       GLU  73 -15.396   9.831  -0.869
  421   1HG   GLU  73          2HG       GLU  73 -15.613   7.583  -1.887
  422   2HG   GLU  73          1HG       GLU  73 -14.564   6.950  -0.619
  423    H    THR  74           H        THR  74 -11.336  10.227  -2.637
  424    HA   THR  74           HA       THR  74 -11.673  12.863  -1.364
  425    HB   THR  74           HB       THR  74  -9.074  11.332  -1.584
  426    HG1  THR  74           1HG      THR  74 -10.831  10.628   0.001
  427   1HG2  THR  74          1HG2      THR  74  -9.774  13.882  -0.129
  428   2HG2  THR  74          2HG2      THR  74  -8.798  13.760  -1.594
  429   3HG2  THR  74          3HG2      THR  74  -8.211  13.063  -0.087
  430    H    SER  75           H        SER  75 -11.609  14.467  -2.785
  431    HA   SER  75           HA       SER  75 -10.747  14.025  -5.491
  432   1HB   SER  75          2HB       SER  75 -12.684  15.528  -4.727
  433   2HB   SER  75          1HB       SER  75 -11.444  16.699  -4.285
  434    HG   SER  75           HG       SER  75 -11.948  15.603  -6.861
  435    H    ALA  76           H        ALA  76  -9.219  15.542  -6.550
  436    HA   ALA  76           HA       ALA  76  -6.672  15.264  -5.651
  437   1HB   ALA  76          1HB       ALA  76  -7.310  15.926  -7.926
  438   2HB   ALA  76          2HB       ALA  76  -6.000  16.909  -7.276
  439   3HB   ALA  76          3HB       ALA  76  -7.640  17.557  -7.343
  440    H    GLU  77           H        GLU  77  -8.390  18.427  -5.481
  441    HA   GLU  77           HA       GLU  77  -6.347  19.670  -4.009
  442   1HB   GLU  77          2HB       GLU  77  -7.930  21.480  -3.632
  443   2HB   GLU  77          1HB       GLU  77  -8.044  20.904  -5.290
  444   1HG   GLU  77          2HG       GLU  77 -10.009  19.552  -4.619
  445   2HG   GLU  77          1HG       GLU  77  -9.924  20.304  -3.028
  446    H    GLU  78           H        GLU  78  -9.160  17.861  -2.969
  447    HA   GLU  78           HA       GLU  78  -9.156  18.393  -0.234
  448   1HB   GLU  78          2HB       GLU  78  -9.799  15.871  -1.768
  449   2HB   GLU  78          1HB       GLU  78 -10.069  16.034  -0.042
  450   1HG   GLU  78          2HG       GLU  78 -11.264  18.084  -1.814
  451   2HG   GLU  78          1HG       GLU  78 -11.963  16.462  -1.832
  452    H    ALA  79           H        ALA  79  -7.487  15.831  -2.040
  453    HA   ALA  79           HA       ALA  79  -6.121  14.828   0.246
  454   1HB   ALA  79          1HB       ALA  79  -4.992  13.353  -1.257
  455   2HB   ALA  79          2HB       ALA  79  -5.418  14.356  -2.644
  456   3HB   ALA  79          3HB       ALA  79  -6.675  13.476  -1.772
  457    H    VAL  80           H        VAL  80  -5.383  17.288  -2.161
  458    HA   VAL  80           HA       VAL  80  -2.583  17.308  -1.829
  459    HB   VAL  80           HB       VAL  80  -4.592  19.271  -2.912
  460   1HG1  VAL  80          1HG1      VAL  80  -2.848  20.625  -1.879
  461   2HG1  VAL  80          2HG1      VAL  80  -2.760  20.712  -3.639
  462   3HG1  VAL  80          3HG1      VAL  80  -1.613  19.711  -2.746
  463   1HG2  VAL  80          1HG2      VAL  80  -3.437  18.810  -5.018
  464   2HG2  VAL  80          2HG2      VAL  80  -4.049  17.333  -4.275
  465   3HG2  VAL  80          3HG2      VAL  80  -2.332  17.725  -4.172
  466    H    SER  81           H        SER  81  -5.180  19.301  -0.443
  467    HA   SER  81           HA       SER  81  -3.677  20.844   1.279
  468   1HB   SER  81          2HB       SER  81  -6.188  20.969   0.821
  469   2HB   SER  81          1HB       SER  81  -6.368  19.701   2.032
  470    HG   SER  81           HG       SER  81  -5.242  22.278   2.403
  471    H    TRP  82           H        TRP  82  -4.867  17.534   1.706
  472    HA   TRP  82           HA       TRP  82  -3.950  17.225   4.359
  473   1HB   TRP  82          2HB       TRP  82  -5.359  15.506   3.978
  474   2HB   TRP  82          1HB       TRP  82  -5.027  15.486   2.249
  475    HD1  TRP  82           HD       TRP  82  -3.450  13.651   1.363
  476    HE1  TRP  82           1HE      TRP  82  -2.110  11.745   2.430
  477    HE3  TRP  82           3HE      TRP  82  -4.014  14.905   6.294
  478    HZ2  TRP  82           2HZ      TRP  82  -1.379  10.875   5.000
  479    HZ3  TRP  82           3HZ      TRP  82  -2.954  13.471   7.992
  480    HH2  TRP  82           HH       TRP  82  -1.663  11.494   7.348
  481    H    GLN  83           H        GLN  83  -2.416  16.489   1.213
  482    HA   GLN  83           HA       GLN  83  -0.127  15.252   2.225
  483   1HB   GLN  83          2HB       GLN  83  -0.746  15.382  -0.203
  484   2HB   GLN  83          1HB       GLN  83  -0.187  17.051  -0.201
  485   1HG   GLN  83          2HG       GLN  83   2.048  16.330   0.400
  486   2HG   GLN  83          1HG       GLN  83   1.507  14.657   0.484
  487   1HE2  GLN  83          1HE2      GLN  83   0.554  17.008  -1.951
  488   2HE2  GLN  83          2HE2      GLN  83   1.301  16.189  -3.285
  489    H    GLU  84           H        GLU  84  -0.602  18.699   1.412
  490    HA   GLU  84           HA       GLU  84   1.832  19.631   2.356
  491   1HB   GLU  84          2HB       GLU  84  -0.867  20.938   2.194
  492   2HB   GLU  84          1HB       GLU  84   0.576  21.806   2.706
  493   1HG   GLU  84          2HG       GLU  84   0.206  20.405   0.079
  494   2HG   GLU  84          1HG       GLU  84   0.101  22.145   0.342
  495    H    ARG  85           H        ARG  85  -1.139  18.899   4.101
  496    HA   ARG  85           HA       ARG  85  -0.458  20.117   6.537
  497   1HB   ARG  85          2HB       ARG  85  -2.734  19.299   5.830
  498   2HB   ARG  85          1HB       ARG  85  -2.175  17.662   6.145
  499   1HG   ARG  85          2HG       ARG  85  -1.811  18.227   8.485
  500   2HG   ARG  85          1HG       ARG  85  -2.354  19.878   8.176
  501   1HD   ARG  85          2HD       ARG  85  -4.532  18.937   7.407
  502   2HD   ARG  85          1HD       ARG  85  -3.974  17.347   7.926
  503    HE   ARG  85           HE       ARG  85  -3.887  19.434   9.941
  504   1HH1  ARG  85          1HH1      ARG  85  -5.677  16.762   8.556
  505   2HH1  ARG  85          2HH1      ARG  85  -6.693  16.549   9.951
  506   1HH2  ARG  85          1HH2      ARG  85  -5.226  19.149  11.777
  507   2HH2  ARG  85          2HH2      ARG  85  -6.438  17.905  11.765
  508    H    ARG  86           H        ARG  86  -0.059  16.735   5.415
  509    HA   ARG  86           HA       ARG  86   1.257  15.965   7.827
  510   1HB   ARG  86          2HB       ARG  86   1.736  13.854   6.773
  511   2HB   ARG  86          1HB       ARG  86   0.078  14.317   6.435
  512   1HG   ARG  86          2HG       ARG  86   0.582  14.855   4.199
  513   2HG   ARG  86          1HG       ARG  86   2.320  14.784   4.500
  514   1HD   ARG  86          2HD       ARG  86   0.456  12.419   4.746
  515   2HD   ARG  86          1HD       ARG  86   1.404  12.780   3.305
  516    HE   ARG  86           HE       ARG  86   3.386  12.301   4.531
  517   1HH1  ARG  86          1HH1      ARG  86   0.471  11.671   6.354
  518   2HH1  ARG  86          2HH1      ARG  86   1.224  10.549   7.438
  519   1HH2  ARG  86          1HH2      ARG  86   4.405  10.822   5.969
  520   2HH2  ARG  86          2HH2      ARG  86   3.469  10.065   7.213
  521    H    MET  87           H        MET  87   2.321  17.488   4.932
  522    HA   MET  87           HA       MET  87   5.100  16.946   5.275
  523   1HB   MET  87          2HB       MET  87   3.676  19.200   3.850
  524   2HB   MET  87          1HB       MET  87   5.419  18.989   3.834
  525   1HG   MET  87          2HG       MET  87   3.599  16.806   2.902
  526   2HG   MET  87          1HG       MET  87   4.022  18.146   1.845
  527   1HE   MET  87          1HE       MET  87   5.078  14.935   3.609
  528   2HE   MET  87          2HE       MET  87   6.273  15.921   4.455
  529   3HE   MET  87          3HE       MET  87   6.791  14.755   3.242
  530    H    ALA  88           H        ALA  88   3.043  19.726   6.146
  531    HA   ALA  88           HA       ALA  88   4.994  21.072   7.662
  532   1HB   ALA  88          1HB       ALA  88   3.142  22.356   8.575
  533   2HB   ALA  88          2HB       ALA  88   1.996  21.161   7.972
  534   3HB   ALA  88          3HB       ALA  88   2.936  22.129   6.839
  535    H    ALA  89           H        ALA  89   3.131  18.272   8.376
  536    HA   ALA  89           HA       ALA  89   3.382  18.488  11.241
  537   1HB   ALA  89          1HB       ALA  89   1.486  17.305  10.243
  538   2HB   ALA  89          2HB       ALA  89   2.426  16.243  11.291
  539   3HB   ALA  89          3HB       ALA  89   2.594  16.126   9.539
  540    H    ALA  90           H        ALA  90   5.162  17.130   8.603
  541    HA   ALA  90           HA       ALA  90   6.905  15.562  10.315
  542   1HB   ALA  90          1HB       ALA  90   6.268  14.640   8.159
  543   2HB   ALA  90          2HB       ALA  90   8.007  14.935   8.203
  544   3HB   ALA  90          3HB       ALA  90   6.946  16.044   7.335
  545    HA   PRO  91           HA       PRO  91   9.971  18.724  10.903
  546   1HB   PRO  91          2HB       PRO  91  12.213  17.126  10.856
  547   2HB   PRO  91          1HB       PRO  91  11.178  17.354  12.268
  548   1HG   PRO  91          2HG       PRO  91  11.227  15.111  10.295
  549   2HG   PRO  91          1HG       PRO  91  11.012  15.055  12.055
  550   1HD   PRO  91          2HD       PRO  91   8.937  14.809  10.361
  551   2HD   PRO  91          1HD       PRO  91   8.776  15.638  11.924
  552    HA   PRO  92           HA       PRO  92  10.987  19.991   6.777
  553   1HB   PRO  92          2HB       PRO  92  13.296  21.220   8.232
  554   2HB   PRO  92          1HB       PRO  92  12.207  21.941   7.041
  555   1HG   PRO  92          2HG       PRO  92  11.902  22.456   9.630
  556   2HG   PRO  92          1HG       PRO  92  10.492  22.220   8.580
  557   1HD   PRO  92          2HD       PRO  92  11.665  20.401  10.623
  558   2HD   PRO  92          1HD       PRO  92   9.976  20.589  10.113
  559    H    GLY  93           H        GLY  93  12.318  19.323   5.145
  560   1HA   GLY  93          2HA       GLY  93  14.261  18.232   4.276
  561   2HA   GLY  93          1HA       GLY  93  14.568  17.575   5.881
  562    H    CYS  94           H        CYS  94  11.354  17.419   5.358
  563    HA   CYS  94           HA       CYS  94  11.282  14.597   5.135
  564   1HB   CYS  94          2HB       CYS  94   8.797  14.996   4.928
  565   2HB   CYS  94          1HB       CYS  94   9.550  15.700   6.356
  566    HG   CYS  94           HG       CYS  94   9.207  17.649   3.603
  567    H    THR  95           H        THR  95  11.012  13.307   3.429
  568    HA   THR  95           HA       THR  95  11.293  14.417   0.789
  569    HB   THR  95           HB       THR  95  10.884  11.537   1.615
  570    HG1  THR  95           1HG      THR  95  13.094  13.255   1.664
  571   1HG2  THR  95          1HG2      THR  95  10.481  11.944  -0.768
  572   2HG2  THR  95          2HG2      THR  95  11.964  11.024  -0.529
  573   3HG2  THR  95          3HG2      THR  95  12.046  12.747  -0.901
  574    HA   PRO  96           HA       PRO  96   6.878  14.697   0.128
  575   1HB   PRO  96          2HB       PRO  96   7.628  15.166  -2.677
  576   2HB   PRO  96          1HB       PRO  96   6.780  16.230  -1.549
  577   1HG   PRO  96          2HG       PRO  96   9.305  16.725  -2.330
  578   2HG   PRO  96          1HG       PRO  96   8.735  17.105  -0.695
  579   1HD   PRO  96          2HD       PRO  96  10.375  14.781  -1.636
  580   2HD   PRO  96          1HD       PRO  96  10.559  15.771  -0.171
  581    HA   PRO  97           HA       PRO  97   6.346  10.553  -1.551
  582   1HB   PRO  97          2HB       PRO  97   3.805  10.240  -0.737
  583   2HB   PRO  97          1HB       PRO  97   5.158  10.159   0.395
  584   1HG   PRO  97          2HG       PRO  97   3.294  12.436  -0.162
  585   2HG   PRO  97          1HG       PRO  97   3.877  11.821   1.396
  586   1HD   PRO  97          2HD       PRO  97   4.942  14.003   0.158
  587   2HD   PRO  97          1HD       PRO  97   5.873  12.940   1.234
  588    H    ALA  98           H        ALA  98   4.100   9.630  -2.595
  589    HA   ALA  98           HA       ALA  98   3.410  11.476  -4.784
  590   1HB   ALA  98          1HB       ALA  98   3.245   8.457  -4.782
  591   2HB   ALA  98          2HB       ALA  98   4.557   9.392  -5.505
  592   3HB   ALA  98          3HB       ALA  98   2.917   9.528  -6.144
  593    H    LEU  99           H        LEU  99   1.527  12.471  -4.119
  594    HA   LEU  99           HA       LEU  99  -0.397  11.049  -2.534
  595   1HB   LEU  99          2HB       LEU  99   0.164  13.382  -2.120
  596   2HB   LEU  99          1HB       LEU  99  -0.296  13.806  -3.755
  597    HG   LEU  99           HG       LEU  99  -2.642  13.014  -3.122
  598   1HD1  LEU  99          1HD1      LEU  99  -2.067  11.818  -1.090
  599   2HD1  LEU  99          2HD1      LEU  99  -3.168  13.149  -0.735
  600   3HD1  LEU  99          3HD1      LEU  99  -1.450  13.306  -0.370
  601   1HD2  LEU  99          1HD2      LEU  99  -2.027  15.329  -3.477
  602   2HD2  LEU  99          2HD2      LEU  99  -1.436  15.440  -1.819
  603   3HD2  LEU  99          3HD2      LEU  99  -3.152  15.180  -2.126
  604    H    LEU 100           H        LEU 100  -2.046   9.923  -3.347
  605    HA   LEU 100           HA       LEU 100  -3.404  10.772  -5.726
  606   1HB   LEU 100          2HB       LEU 100  -3.012   8.162  -6.462
  607   2HB   LEU 100          1HB       LEU 100  -2.225   9.559  -7.171
  608    HG   LEU 100           HG       LEU 100  -0.357   9.203  -5.489
  609   1HD1  LEU 100          1HD1      LEU 100  -1.709   6.533  -5.153
  610   2HD1  LEU 100          2HD1      LEU 100  -1.566   7.784  -3.917
  611   3HD1  LEU 100          3HD1      LEU 100  -0.117   6.987  -4.534
  612   1HD2  LEU 100          1HD2      LEU 100  -0.138   8.615  -7.827
  613   2HD2  LEU 100          2HD2      LEU 100  -0.908   7.057  -7.528
  614   3HD2  LEU 100          3HD2      LEU 100   0.665   7.417  -6.814
  615    H    ASP 101           H        ASP 101  -4.777   8.425  -6.301
  616    HA   ASP 101           HA       ASP 101  -6.459   8.320  -3.901
  617   1HB   ASP 101          2HB       ASP 101  -7.481   9.189  -5.953
  618   2HB   ASP 101          1HB       ASP 101  -7.061   7.710  -6.806
  619    H    ILE 102           H        ILE 102  -7.388   6.375  -3.212
  620    HA   ILE 102           HA       ILE 102  -5.649   4.227  -2.872
  621    HB   ILE 102           HB       ILE 102  -7.406   4.705  -1.290
  622   1HG1  ILE 102          2HG1      ILE 102  -8.420   2.438  -1.011
  623   2HG1  ILE 102          1HG1      ILE 102  -7.780   1.993  -2.588
  624   1HG2  ILE 102          1HG2      ILE 102  -9.756   4.277  -1.797
  625   2HG2  ILE 102          2HG2      ILE 102  -9.326   3.886  -3.462
  626   3HG2  ILE 102          3HG2      ILE 102  -9.079   5.520  -2.848
  627   1HD1  ILE 102          1HD1      ILE 102  -6.172   2.770  -0.171
  628   2HD1  ILE 102          2HD1      ILE 102  -5.510   2.374  -1.757
  629   3HD1  ILE 102          3HD1      ILE 102  -6.371   1.145  -0.828
  630    H    SER 103           H        SER 103  -7.600   4.933  -5.525
  631    HA   SER 103           HA       SER 103  -8.318   2.325  -6.357
  632   1HB   SER 103          2HB       SER 103  -8.522   3.468  -8.655
  633   2HB   SER 103          1HB       SER 103  -9.550   4.051  -7.346
  634    HG   SER 103           HG       SER 103  -8.282   5.823  -7.104
  635    H    TRP 104           H        TRP 104  -5.387   4.230  -6.855
  636    HA   TRP 104           HA       TRP 104  -4.022   2.698  -8.676
  637   1HB   TRP 104          2HB       TRP 104  -2.833   4.534  -7.839
  638   2HB   TRP 104          1HB       TRP 104  -3.113   4.076  -6.163
  639    HD1  TRP 104           HD       TRP 104  -0.921   3.065  -9.186
  640    HE1  TRP 104           1HE      TRP 104   1.178   1.848  -8.289
  641    HE3  TRP 104           3HE      TRP 104  -2.150   2.856  -4.234
  642    HZ2  TRP 104           2HZ      TRP 104   2.162   0.930  -5.827
  643    HZ3  TRP 104           3HZ      TRP 104  -0.576   1.790  -2.671
  644    HH2  TRP 104           HH       TRP 104   1.536   0.848  -3.455
  645    H    LEU 105           H        LEU 105  -4.475   1.964  -5.225
  646    HA   LEU 105           HA       LEU 105  -2.735  -0.291  -5.291
  647   1HB   LEU 105          2HB       LEU 105  -3.172   1.026  -3.247
  648   2HB   LEU 105          1HB       LEU 105  -4.821   0.430  -3.235
  649    HG   LEU 105           HG       LEU 105  -4.009  -1.859  -2.900
  650   1HD1  LEU 105          1HD1      LEU 105  -1.271  -0.605  -2.814
  651   2HD1  LEU 105          2HD1      LEU 105  -1.881  -1.690  -4.065
  652   3HD1  LEU 105          3HD1      LEU 105  -1.654  -2.280  -2.418
  653   1HD2  LEU 105          1HD2      LEU 105  -2.882   0.141  -0.949
  654   2HD2  LEU 105          2HD2      LEU 105  -3.147  -1.572  -0.623
  655   3HD2  LEU 105          3HD2      LEU 105  -4.519  -0.515  -0.951
  656    H    THR 106           H        THR 106  -6.286  -0.028  -4.988
  657    HA   THR 106           HA       THR 106  -6.895  -2.694  -5.170
  658    HB   THR 106           HB       THR 106  -9.104  -1.956  -6.102
  659    HG1  THR 106           1HG      THR 106  -9.427   0.269  -6.356
  660   1HG2  THR 106          1HG2      THR 106  -8.024  -0.402  -3.743
  661   2HG2  THR 106          2HG2      THR 106  -8.679  -2.041  -3.695
  662   3HG2  THR 106          3HG2      THR 106  -9.730  -0.684  -4.100
  663    H    GLU 107           H        GLU 107  -6.010  -0.535  -7.812
  664    HA   GLU 107           HA       GLU 107  -6.635  -2.518  -9.819
  665   1HB   GLU 107          2HB       GLU 107  -5.281   0.158  -9.903
  666   2HB   GLU 107          1HB       GLU 107  -5.208  -0.928 -11.283
  667   1HG   GLU 107          2HG       GLU 107  -7.709  -0.995 -11.244
  668   2HG   GLU 107          1HG       GLU 107  -7.653   0.290 -10.036
  669    H    SER 108           H        SER 108  -3.921  -1.608  -7.865
  670    HA   SER 108           HA       SER 108  -1.968  -3.018  -9.395
  671   1HB   SER 108          2HB       SER 108  -1.936  -2.086  -6.514
  672   2HB   SER 108          1HB       SER 108  -0.548  -2.779  -7.353
  673    HG   SER 108           HG       SER 108  -1.922  -0.366  -7.955
  674    H    LEU 109           H        LEU 109  -3.933  -3.809  -6.472
  675    HA   LEU 109           HA       LEU 109  -3.086  -6.470  -6.278
  676   1HB   LEU 109          2HB       LEU 109  -5.729  -5.247  -5.533
  677   2HB   LEU 109          1HB       LEU 109  -5.102  -6.780  -4.956
  678    HG   LEU 109           HG       LEU 109  -4.039  -4.030  -4.344
  679   1HD1  LEU 109          1HD1      LEU 109  -5.218  -6.226  -2.679
  680   2HD1  LEU 109          2HD1      LEU 109  -5.947  -4.660  -3.039
  681   3HD1  LEU 109          3HD1      LEU 109  -4.498  -4.753  -2.035
  682   1HD2  LEU 109          1HD2      LEU 109  -2.331  -5.160  -2.998
  683   2HD2  LEU 109          2HD2      LEU 109  -2.157  -5.518  -4.716
  684   3HD2  LEU 109          3HD2      LEU 109  -2.869  -6.715  -3.633
  685    H    GLY 110           H        GLY 110  -5.075  -4.869  -8.520
  686   1HA   GLY 110          2HA       GLY 110  -6.624  -7.186  -9.311
  687   2HA   GLY 110          1HA       GLY 110  -6.596  -5.620 -10.118
  688    H    ALA 111           H        ALA 111  -3.560  -5.846  -9.977
  689    HA   ALA 111           HA       ALA 111  -3.242  -7.493 -12.386
  690   1HB   ALA 111          1HB       ALA 111  -1.490  -5.283 -11.312
  691   2HB   ALA 111          2HB       ALA 111  -2.661  -5.126 -12.621
  692   3HB   ALA 111          3HB       ALA 111  -1.245  -6.158 -12.825
  693    H    GLY 112           H        GLY 112  -2.180  -7.056  -9.111
  694   1HA   GLY 112          2HA       GLY 112  -1.171  -8.744  -7.793
  695   2HA   GLY 112          1HA       GLY 112  -0.623  -9.532  -9.267
  696    H    GLN 113           H        GLN 113  -0.178  -6.220  -9.361
  697    HA   GLN 113           HA       GLN 113   2.431  -6.096  -8.171
  698   1HB   GLN 113          2HB       GLN 113   3.592  -5.613 -10.333
  699   2HB   GLN 113          1HB       GLN 113   3.060  -7.282 -10.182
  700   1HG   GLN 113          2HG       GLN 113   1.154  -6.832 -11.610
  701   2HG   GLN 113          1HG       GLN 113   1.609  -5.133 -11.717
  702   1HE2  GLN 113          1HE2      GLN 113   3.342  -4.532 -12.999
  703   2HE2  GLN 113          2HE2      GLN 113   4.056  -5.613 -14.153
  704    HA   PRO 114           HA       PRO 114   1.327  -1.816  -8.054
  705   1HB   PRO 114          2HB       PRO 114   3.808  -0.646  -8.324
  706   2HB   PRO 114          1HB       PRO 114   3.163  -1.291  -6.813
  707   1HG   PRO 114          2HG       PRO 114   5.087  -2.520  -8.734
  708   2HG   PRO 114          1HG       PRO 114   5.064  -2.589  -6.961
  709   1HD   PRO 114          2HD       PRO 114   4.234  -4.645  -8.510
  710   2HD   PRO 114          1HD       PRO 114   3.513  -4.294  -6.928
  711    H    VAL 115           H        VAL 115   0.208  -1.225  -9.811
  712    HA   VAL 115           HA       VAL 115   1.149  -1.331 -12.465
  713    HB   VAL 115           HB       VAL 115  -0.843  -0.004 -13.052
  714   1HG1  VAL 115          1HG1      VAL 115  -1.334  -2.239 -11.091
  715   2HG1  VAL 115          2HG1      VAL 115  -1.063  -2.394 -12.828
  716   3HG1  VAL 115          3HG1      VAL 115  -2.524  -1.606 -12.230
  717   1HG2  VAL 115          1HG2      VAL 115  -2.436   0.670 -11.320
  718   2HG2  VAL 115          2HG2      VAL 115  -0.892   1.501 -11.133
  719   3HG2  VAL 115          3HG2      VAL 115  -1.301   0.153 -10.072
  720    HA   PRO 116           HA       PRO 116   3.461   2.415 -12.942
  721   1HB   PRO 116          2HB       PRO 116   2.331   2.600 -15.660
  722   2HB   PRO 116          1HB       PRO 116   4.013   2.407 -15.156
  723   1HG   PRO 116          2HG       PRO 116   2.657   0.395 -16.294
  724   2HG   PRO 116          1HG       PRO 116   3.849   0.106 -15.012
  725   1HD   PRO 116          2HD       PRO 116   0.856   0.179 -14.837
  726   2HD   PRO 116          1HD       PRO 116   2.002  -0.940 -14.069
  727    H    VAL 117           H        VAL 117   2.683   4.096 -11.856
  728    HA   VAL 117           HA       VAL 117   0.003   4.981 -11.986
  729    HB   VAL 117           HB       VAL 117   2.413   6.415 -10.866
  730   1HG1  VAL 117          1HG1      VAL 117   0.786   7.638  -9.499
  731   2HG1  VAL 117          2HG1      VAL 117  -0.530   6.825 -10.344
  732   3HG1  VAL 117          3HG1      VAL 117   0.534   7.923 -11.221
  733   1HG2  VAL 117          1HG2      VAL 117   2.106   4.207  -9.873
  734   2HG2  VAL 117          2HG2      VAL 117   0.426   4.596  -9.509
  735   3HG2  VAL 117          3HG2      VAL 117   1.728   5.481  -8.715
  736    H    GLU 118           H        GLU 118  -0.964   6.313 -13.343
  737    HA   GLU 118           HA       GLU 118   0.645   8.044 -15.072
  738   1HB   GLU 118          2HB       GLU 118  -2.322   7.444 -15.176
  739   2HB   GLU 118          1HB       GLU 118  -1.401   8.344 -16.373
  740   1HG   GLU 118          2HG       GLU 118  -0.154   6.367 -16.957
  741   2HG   GLU 118          1HG       GLU 118  -0.957   5.451 -15.681
  742    H    CYS 119           H        CYS 119  -0.161  10.303 -15.374
  743    HA   CYS 119           HA       CYS 119  -0.225  11.678 -12.958
  744   1HB   CYS 119          2HB       CYS 119  -1.151  13.584 -14.497
  745   2HB   CYS 119          1HB       CYS 119   0.472  12.954 -14.766
  746    HG   CYS 119           HG       CYS 119  -2.208  12.867 -16.759
  747    H    ARG 120           H        ARG 120  -2.901  10.620 -15.011
  748    HA   ARG 120           HA       ARG 120  -4.967  12.009 -13.700
  749   1HB   ARG 120          2HB       ARG 120  -5.039  10.861 -15.961
  750   2HB   ARG 120          1HB       ARG 120  -5.221   9.343 -15.099
  751   1HG   ARG 120          2HG       ARG 120  -7.130  11.607 -14.650
  752   2HG   ARG 120          1HG       ARG 120  -7.317  10.505 -16.012
  753   1HD   ARG 120          2HD       ARG 120  -7.265   9.746 -13.092
  754   2HD   ARG 120          1HD       ARG 120  -8.686   9.788 -14.137
  755    HE   ARG 120           HE       ARG 120  -6.888   8.097 -15.366
  756   1HH1  ARG 120          1HH1      ARG 120  -8.584   8.205 -12.304
  757   2HH1  ARG 120          2HH1      ARG 120  -8.650   6.476 -12.140
  758   1HH2  ARG 120          1HH2      ARG 120  -6.949   5.836 -15.152
  759   2HH2  ARG 120          2HH2      ARG 120  -7.726   5.122 -13.760
  760    H    HIS 121           H        HIS 121  -3.404   8.933 -13.033
  761    HA   HIS 121           HA       HIS 121  -5.327   8.084 -11.058
  762   1HB   HIS 121          2HB       HIS 121  -3.315   6.832 -12.487
  763   2HB   HIS 121          1HB       HIS 121  -2.685   6.873 -10.842
  764    HD1  HIS 121           1HD      HIS 121  -6.045   6.731 -10.105
  765    HD2  HIS 121           2HD      HIS 121  -3.459   3.966 -11.829
  766    HE1  HIS 121           1HE      HIS 121  -7.130   4.493  -9.779
  767    HE2  HIS 121           2HE      HIS 121  -5.706   2.901 -11.100
  768    H    ARG 122           H        ARG 122  -2.596  10.135 -11.109
  769    HA   ARG 122           HA       ARG 122  -2.136  10.017  -8.251
  770   1HB   ARG 122          2HB       ARG 122  -0.316  10.379  -9.977
  771   2HB   ARG 122          1HB       ARG 122  -1.001  11.971 -10.260
  772   1HG   ARG 122          2HG       ARG 122  -0.481  12.658  -8.024
  773   2HG   ARG 122          1HG       ARG 122   0.034  11.025  -7.596
  774   1HD   ARG 122          2HD       ARG 122   1.979  12.399  -8.016
  775   2HD   ARG 122          1HD       ARG 122   1.828  11.180  -9.281
  776    HE   ARG 122           HE       ARG 122   0.560  13.317 -10.335
  777   1HH1  ARG 122          1HH1      ARG 122   3.682  12.973  -8.803
  778   2HH1  ARG 122          2HH1      ARG 122   4.449  14.159  -9.814
  779   1HH2  ARG 122          1HH2      ARG 122   1.556  14.889 -11.660
  780   2HH2  ARG 122          2HH2      ARG 122   3.248  15.242 -11.445
  781    H    LEU 123           H        LEU 123  -3.752  11.850 -10.580
  782    HA   LEU 123           HA       LEU 123  -5.061  13.644 -10.727
  783   1HB   LEU 123          2HB       LEU 123  -6.975  13.708  -9.279
  784   2HB   LEU 123          1HB       LEU 123  -6.596  12.079  -9.784
  785    HG   LEU 123           HG       LEU 123  -5.601  12.967  -7.116
  786   1HD1  LEU 123          1HD1      LEU 123  -8.453  12.192  -7.701
  787   2HD1  LEU 123          2HD1      LEU 123  -7.903  13.790  -7.199
  788   3HD1  LEU 123          3HD1      LEU 123  -7.744  12.419  -6.102
  789   1HD2  LEU 123          1HD2      LEU 123  -6.812  10.404  -8.151
  790   2HD2  LEU 123          2HD2      LEU 123  -6.094  10.651  -6.559
  791   3HD2  LEU 123          3HD2      LEU 123  -5.086  10.732  -8.003
  792    H    GLU 124           H        GLU 124  -3.137  13.763  -7.866
  793    HA   GLU 124           HA       GLU 124  -3.907  16.075  -6.636
  794   1HB   GLU 124          2HB       GLU 124  -2.273  15.098  -5.441
  795   2HB   GLU 124          1HB       GLU 124  -1.464  14.465  -6.870
  796   1HG   GLU 124          2HG       GLU 124  -0.971  17.148  -7.023
  797   2HG   GLU 124          1HG       GLU 124  -0.921  16.836  -5.287
  Start of MODEL    3
    1   1H    GLY  20          1HT       GLY  20  -6.171  -5.775  18.905
    2   2H    GLY  20          2HT       GLY  20  -4.837  -6.816  18.955
    3   3H    GLY  20          3HT       GLY  20  -6.045  -7.048  17.792
    4   1HA   GLY  20          1HA       GLY  20  -5.490  -4.950  16.741
    5   2HA   GLY  20          2HA       GLY  20  -4.239  -4.700  17.952
    6    H    THR  21           H        THR  21  -3.661  -4.701  15.236
    7    HA   THR  21           HA       THR  21  -2.102  -7.191  14.991
    8    HB   THR  21           HB       THR  21  -3.020  -5.760  12.528
    9    HG1  THR  21           1HG      THR  21  -5.005  -6.075  13.400
   10   1HG2  THR  21          1HG2      THR  21  -2.952  -8.043  11.606
   11   2HG2  THR  21          2HG2      THR  21  -2.489  -8.659  13.193
   12   3HG2  THR  21          3HG2      THR  21  -1.409  -7.575  12.321
   13    HA   PRO  22           HA       PRO  22   1.273  -4.209  14.746
   14   1HB   PRO  22          2HB       PRO  22   3.125  -6.112  14.006
   15   2HB   PRO  22          1HB       PRO  22   2.687  -5.746  15.679
   16   1HG   PRO  22          2HG       PRO  22   1.719  -7.956  13.907
   17   2HG   PRO  22          1HG       PRO  22   2.152  -8.004  15.626
   18   1HD   PRO  22          2HD       PRO  22  -0.407  -7.931  14.833
   19   2HD   PRO  22          1HD       PRO  22   0.135  -7.068  16.289
   20    HA   PRO  23           HA       PRO  23   1.245  -3.411  10.398
   21   1HB   PRO  23          2HB       PRO  23   3.939  -2.262  10.658
   22   2HB   PRO  23          1HB       PRO  23   2.418  -1.472  10.230
   23   1HG   PRO  23          2HG       PRO  23   3.607  -1.052  12.600
   24   2HG   PRO  23          1HG       PRO  23   1.841  -1.096  12.436
   25   1HD   PRO  23          2HD       PRO  23   3.706  -3.224  13.431
   26   2HD   PRO  23          1HD       PRO  23   2.131  -2.712  14.078
   27    H    SER  24           H        SER  24   1.684  -5.936  10.451
   28    HA   SER  24           HA       SER  24   4.213  -6.767   9.409
   29   1HB   SER  24          2HB       SER  24   2.645  -8.315  10.570
   30   2HB   SER  24          1HB       SER  24   1.501  -8.120   9.244
   31    HG   SER  24           HG       SER  24   4.097  -8.902   8.577
   32    H    THR  25           H        THR  25   4.867  -6.867   7.295
   33    HA   THR  25           HA       THR  25   2.943  -5.804   5.342
   34    HB   THR  25           HB       THR  25   4.649  -4.449   4.319
   35    HG1  THR  25           1HG      THR  25   6.467  -5.299   6.362
   36   1HG2  THR  25          1HG2      THR  25   3.516  -3.404   6.182
   37   2HG2  THR  25          2HG2      THR  25   5.209  -2.902   6.157
   38   3HG2  THR  25          3HG2      THR  25   4.666  -4.112   7.317
   39    H    ARG  26           H        ARG  26   5.880  -6.181   3.851
   40    HA   ARG  26           HA       ARG  26   6.199  -8.917   3.512
   41   1HB   ARG  26          2HB       ARG  26   3.879  -8.635   2.478
   42   2HB   ARG  26          1HB       ARG  26   4.674  -7.757   1.181
   43   1HG   ARG  26          2HG       ARG  26   5.561 -10.510   1.937
   44   2HG   ARG  26          1HG       ARG  26   4.176 -10.266   0.877
   45   1HD   ARG  26          2HD       ARG  26   5.661  -8.893  -0.597
   46   2HD   ARG  26          1HD       ARG  26   7.018  -9.381   0.415
   47    HE   ARG  26           HE       ARG  26   6.196 -11.760  -0.229
   48   1HH1  ARG  26          1HH1      ARG  26   6.249  -8.927  -2.273
   49   2HH1  ARG  26          2HH1      ARG  26   6.380  -9.817  -3.755
   50   1HH2  ARG  26          1HH2      ARG  26   6.343 -12.962  -2.181
   51   2HH2  ARG  26          2HH2      ARG  26   6.415 -12.119  -3.703
   52    H    PHE  27           H        PHE  27   5.997  -6.221   1.166
   53    HA   PHE  27           HA       PHE  27   8.826  -6.749   0.533
   54   1HB   PHE  27          2HB       PHE  27   7.395  -7.383  -1.310
   55   2HB   PHE  27          1HB       PHE  27   6.583  -5.822  -1.271
   56    HD1  PHE  27           1HD      PHE  27  10.012  -7.248  -1.658
   57    HD2  PHE  27           2HD      PHE  27   7.239  -4.217  -2.784
   58    HE1  PHE  27           1HE      PHE  27  11.629  -6.379  -3.296
   59    HE2  PHE  27           2HE      PHE  27   8.856  -3.344  -4.420
   60    HZ   PHE  27           HZ       PHE  27  11.055  -4.403  -4.667
   61    HA   PRO  28           HA       PRO  28   9.241  -2.420   1.683
   62   1HB   PRO  28          2HB       PRO  28  11.871  -2.518   2.225
   63   2HB   PRO  28          1HB       PRO  28  10.659  -3.142   3.352
   64   1HG   PRO  28          2HG       PRO  28  12.458  -4.620   1.486
   65   2HG   PRO  28          1HG       PRO  28  11.905  -5.069   3.108
   66   1HD   PRO  28          2HD       PRO  28  10.850  -6.012   0.706
   67   2HD   PRO  28          1HD       PRO  28  10.057  -6.103   2.289
   68    H    GLY  29           H        GLY  29   8.834  -1.600  -0.327
   69   1HA   GLY  29          2HA       GLY  29  10.912  -0.500  -1.857
   70   2HA   GLY  29          1HA       GLY  29  10.347  -1.957  -2.674
   71    H    VAL  30           H        VAL  30   7.720  -1.766  -1.711
   72    HA   VAL  30           HA       VAL  30   6.723   0.792  -2.773
   73    HB   VAL  30           HB       VAL  30   5.289  -1.876  -3.000
   74   1HG1  VAL  30          1HG1      VAL  30   3.559  -0.587  -4.193
   75   2HG1  VAL  30          2HG1      VAL  30   4.423   0.901  -3.802
   76   3HG1  VAL  30          3HG1      VAL  30   3.734  -0.081  -2.510
   77   1HG2  VAL  30          1HG2      VAL  30   6.432  -0.055  -5.121
   78   2HG2  VAL  30          2HG2      VAL  30   5.414  -1.459  -5.439
   79   3HG2  VAL  30          3HG2      VAL  30   7.005  -1.670  -4.700
   80    H    ALA  31           H        ALA  31   6.219   1.908  -1.026
   81    HA   ALA  31           HA       ALA  31   5.009   0.484   1.241
   82   1HB   ALA  31          1HB       ALA  31   5.859   2.328   2.652
   83   2HB   ALA  31          2HB       ALA  31   6.666   3.003   1.235
   84   3HB   ALA  31          3HB       ALA  31   7.141   1.417   1.855
   85    H    ILE  32           H        ILE  32   2.940   0.767   1.332
   86    HA   ILE  32           HA       ILE  32   1.725   3.024  -0.051
   87    HB   ILE  32           HB       ILE  32   0.390   0.600   1.131
   88   1HG1  ILE  32          2HG1      ILE  32   1.367   0.977  -1.711
   89   2HG1  ILE  32          1HG1      ILE  32   2.243   0.056  -0.495
   90   1HG2  ILE  32          1HG2      ILE  32  -0.447   2.524  -1.028
   91   2HG2  ILE  32          2HG2      ILE  32  -1.106   2.424   0.606
   92   3HG2  ILE  32          3HG2      ILE  32  -1.345   1.092  -0.526
   93   1HD1  ILE  32          1HD1      ILE  32   1.022  -1.411  -1.944
   94   2HD1  ILE  32          2HD1      ILE  32  -0.484  -0.564  -1.585
   95   3HD1  ILE  32          3HD1      ILE  32   0.340  -1.473  -0.319
   96    H    TYR  33           H        TYR  33   1.127   4.721   1.103
   97    HA   TYR  33           HA       TYR  33   0.298   4.317   3.888
   98   1HB   TYR  33          2HB       TYR  33   2.030   6.063   3.393
   99   2HB   TYR  33          1HB       TYR  33   0.822   6.936   2.459
  100    HD1  TYR  33           1HD      TYR  33  -1.205   7.854   3.648
  101    HD2  TYR  33           2HD      TYR  33   2.131   6.254   5.745
  102    HE1  TYR  33           1HE      TYR  33  -1.955   8.989   5.694
  103    HE2  TYR  33           2HE      TYR  33   1.385   7.382   7.798
  104    HH   TYR  33           HH       TYR  33  -1.690   8.682   8.167
  105    H    LEU  34           H        LEU  34  -1.709   4.672   4.531
  106    HA   LEU  34           HA       LEU  34  -3.689   5.428   2.497
  107   1HB   LEU  34          2HB       LEU  34  -4.149   3.373   4.654
  108   2HB   LEU  34          1HB       LEU  34  -5.162   3.723   3.260
  109    HG   LEU  34           HG       LEU  34  -2.413   2.808   2.663
  110   1HD1  LEU  34          1HD1      LEU  34  -4.509   0.915   3.713
  111   2HD1  LEU  34          2HD1      LEU  34  -3.040   1.385   4.568
  112   3HD1  LEU  34          3HD1      LEU  34  -2.929   0.482   3.057
  113   1HD2  LEU  34          1HD2      LEU  34  -3.595   1.593   0.908
  114   2HD2  LEU  34          2HD2      LEU  34  -4.046   3.298   0.917
  115   3HD2  LEU  34          3HD2      LEU  34  -5.141   2.095   1.597
  116    H    VAL  35           H        VAL  35  -4.975   7.049   3.166
  117    HA   VAL  35           HA       VAL  35  -4.322   8.291   5.657
  118    HB   VAL  35           HB       VAL  35  -6.491   9.093   3.732
  119   1HG1  VAL  35          1HG1      VAL  35  -4.912  10.674   5.757
  120   2HG1  VAL  35          2HG1      VAL  35  -6.605  10.196   5.899
  121   3HG1  VAL  35          3HG1      VAL  35  -6.111  11.334   4.643
  122   1HG2  VAL  35          1HG2      VAL  35  -4.812  10.555   2.693
  123   2HG2  VAL  35          2HG2      VAL  35  -4.390   8.850   2.527
  124   3HG2  VAL  35          3HG2      VAL  35  -3.571   9.849   3.728
  125    H    GLU  36           H        GLU  36  -5.090   7.577   7.473
  126    HA   GLU  36           HA       GLU  36  -7.362   5.972   7.793
  127   1HB   GLU  36          2HB       GLU  36  -5.639   7.480   9.735
  128   2HB   GLU  36          1HB       GLU  36  -7.036   6.555  10.272
  129   1HG   GLU  36          2HG       GLU  36  -4.823   5.370   8.625
  130   2HG   GLU  36          1HG       GLU  36  -4.820   5.380  10.389
  131    HA   PRO  37           HA       PRO  37  -9.722   9.821   9.497
  132   1HB   PRO  37          2HB       PRO  37  -8.774  12.288   8.910
  133   2HB   PRO  37          1HB       PRO  37  -8.296  11.403  10.363
  134   1HG   PRO  37          2HG       PRO  37  -6.852  11.677   7.752
  135   2HG   PRO  37          1HG       PRO  37  -6.213  11.813   9.402
  136   1HD   PRO  37          2HD       PRO  37  -5.936   9.568   7.929
  137   2HD   PRO  37          1HD       PRO  37  -6.132   9.523   9.691
  138    H    ARG  38           H        ARG  38  -9.832   8.528   7.017
  139    HA   ARG  38           HA       ARG  38 -11.706  10.120   5.655
  140   1HB   ARG  38          2HB       ARG  38  -9.689  11.288   4.833
  141   2HB   ARG  38          1HB       ARG  38  -9.073   9.768   4.202
  142   1HG   ARG  38          2HG       ARG  38  -9.989  10.952   2.373
  143   2HG   ARG  38          1HG       ARG  38 -11.116   9.649   2.749
  144   1HD   ARG  38          2HD       ARG  38 -11.411  12.517   3.640
  145   2HD   ARG  38          1HD       ARG  38 -12.243  11.793   2.267
  146    HE   ARG  38           HE       ARG  38 -12.972  10.166   4.264
  147   1HH1  ARG  38          1HH1      ARG  38 -12.991  13.655   3.954
  148   2HH1  ARG  38          2HH1      ARG  38 -14.314  13.868   5.070
  149   1HH2  ARG  38          1HH2      ARG  38 -14.676  10.445   5.753
  150   2HH2  ARG  38          2HH2      ARG  38 -15.242  12.051   6.117
  151    H    MET  39           H        MET  39  -9.337   7.497   5.287
  152    HA   MET  39           HA       MET  39 -11.070   6.051   3.484
  153   1HB   MET  39          2HB       MET  39  -8.622   6.018   3.198
  154   2HB   MET  39          1HB       MET  39  -8.456   5.217   4.755
  155   1HG   MET  39          2HG       MET  39  -9.603   3.275   3.929
  156   2HG   MET  39          1HG       MET  39  -9.937   4.085   2.398
  157   1HE   MET  39          1HE       MET  39  -8.075   4.788   0.665
  158   2HE   MET  39          2HE       MET  39  -6.357   4.436   0.856
  159   3HE   MET  39          3HE       MET  39  -7.136   5.621   1.905
  160    H    GLY  40           H        GLY  40  -9.454   4.923   6.464
  161   1HA   GLY  40          2HA       GLY  40 -10.888   4.234   8.353
  162   2HA   GLY  40          1HA       GLY  40 -11.979   3.551   7.154
  163    H    ARG  41           H        ARG  41 -11.097   2.024   9.224
  164    HA   ARG  41           HA       ARG  41  -8.696   0.565   8.602
  165   1HB   ARG  41          2HB       ARG  41  -9.535   0.862  10.920
  166   2HB   ARG  41          1HB       ARG  41 -10.931  -0.126  10.521
  167   1HG   ARG  41          2HG       ARG  41  -9.376  -1.994   9.987
  168   2HG   ARG  41          1HG       ARG  41  -8.054  -0.995  10.591
  169   1HD   ARG  41          2HD       ARG  41 -10.444  -1.980  12.142
  170   2HD   ARG  41          1HD       ARG  41  -8.771  -2.497  12.330
  171    HE   ARG  41           HE       ARG  41  -9.136   0.322  12.740
  172   1HH1  ARG  41          1HH1      ARG  41  -9.281  -2.829  14.270
  173   2HH1  ARG  41          2HH1      ARG  41  -9.091  -2.191  15.876
  174   1HH2  ARG  41          1HH2      ARG  41  -8.888   1.156  14.832
  175   2HH2  ARG  41          2HH2      ARG  41  -8.868   0.082  16.195
  176    H    SER  42           H        SER  42 -12.145   0.118   8.119
  177    HA   SER  42           HA       SER  42 -12.195  -2.576   7.411
  178   1HB   SER  42          2HB       SER  42 -14.235  -1.874   6.036
  179   2HB   SER  42          1HB       SER  42 -14.267  -1.470   7.754
  180    HG   SER  42           HG       SER  42 -13.881   0.633   7.291
  181    H    ARG  43           H        ARG  43 -11.662   0.283   5.411
  182    HA   ARG  43           HA       ARG  43 -11.383  -1.137   2.964
  183   1HB   ARG  43          2HB       ARG  43 -11.978   1.278   3.143
  184   2HB   ARG  43          1HB       ARG  43 -10.342   1.611   3.689
  185   1HG   ARG  43          2HG       ARG  43 -10.573   2.167   1.350
  186   2HG   ARG  43          1HG       ARG  43  -9.472   0.802   1.539
  187   1HD   ARG  43          2HD       ARG  43 -11.096  -0.733   0.784
  188   2HD   ARG  43          1HD       ARG  43 -12.393   0.453   0.930
  189    HE   ARG  43           HE       ARG  43 -10.459   1.371  -0.918
  190   1HH1  ARG  43          1HH1      ARG  43 -13.019  -0.987  -0.574
  191   2HH1  ARG  43          2HH1      ARG  43 -13.389  -1.032  -2.271
  192   1HH2  ARG  43          1HH2      ARG  43 -10.969   1.326  -3.174
  193   2HH2  ARG  43          2HH2      ARG  43 -12.239   0.282  -3.727
  194    H    ARG  44           H        ARG  44  -9.058   0.291   5.247
  195    HA   ARG  44           HA       ARG  44  -6.724  -0.356   3.874
  196   1HB   ARG  44          2HB       ARG  44  -7.224  -0.060   6.829
  197   2HB   ARG  44          1HB       ARG  44  -5.624  -0.307   6.149
  198   1HG   ARG  44          2HG       ARG  44  -6.003   1.757   4.774
  199   2HG   ARG  44          1HG       ARG  44  -7.454   2.036   5.742
  200   1HD   ARG  44          2HD       ARG  44  -5.654   3.302   6.702
  201   2HD   ARG  44          1HD       ARG  44  -6.037   1.968   7.787
  202    HE   ARG  44           HE       ARG  44  -3.889   1.490   5.897
  203   1HH1  ARG  44          1HH1      ARG  44  -4.752   2.437   9.172
  204   2HH1  ARG  44          2HH1      ARG  44  -3.158   2.112   9.797
  205   1HH2  ARG  44          1HH2      ARG  44  -1.797   1.089   6.761
  206   2HH2  ARG  44          2HH2      ARG  44  -1.509   1.362   8.453
  207    H    ALA  45           H        ALA  45  -8.342  -2.187   6.473
  208    HA   ALA  45           HA       ALA  45  -6.532  -4.245   6.716
  209   1HB   ALA  45          1HB       ALA  45  -8.345  -5.572   7.651
  210   2HB   ALA  45          2HB       ALA  45  -9.521  -4.432   6.993
  211   3HB   ALA  45          3HB       ALA  45  -8.392  -3.909   8.242
  212    H    PHE  46           H        PHE  46  -9.241  -3.998   4.453
  213    HA   PHE  46           HA       PHE  46  -9.069  -6.637   3.485
  214   1HB   PHE  46          2HB       PHE  46 -11.082  -5.894   2.837
  215   2HB   PHE  46          1HB       PHE  46 -10.584  -4.214   2.949
  216    HD1  PHE  46           1HD      PHE  46 -10.796  -7.143   0.724
  217    HD2  PHE  46           2HD      PHE  46  -9.983  -2.981   1.042
  218    HE1  PHE  46           1HE      PHE  46 -10.894  -6.936  -1.724
  219    HE2  PHE  46           2HE      PHE  46 -10.074  -2.768  -1.390
  220    HZ   PHE  46           HZ       PHE  46 -10.533  -4.743  -2.793
  221    H    LEU  47           H        LEU  47  -7.932  -3.581   2.010
  222    HA   LEU  47           HA       LEU  47  -6.453  -4.798  -0.026
  223   1HB   LEU  47          2HB       LEU  47  -5.354  -2.638  -0.294
  224   2HB   LEU  47          1HB       LEU  47  -7.092  -2.476  -0.146
  225    HG   LEU  47           HG       LEU  47  -6.425  -2.116   2.405
  226   1HD1  LEU  47          1HD1      LEU  47  -4.087  -0.960   0.901
  227   2HD1  LEU  47          2HD1      LEU  47  -4.020  -2.390   1.931
  228   3HD1  LEU  47          3HD1      LEU  47  -4.416  -0.818   2.625
  229   1HD2  LEU  47          1HD2      LEU  47  -7.792  -0.629   1.058
  230   2HD2  LEU  47          2HD2      LEU  47  -6.356  -0.013   0.238
  231   3HD2  LEU  47          3HD2      LEU  47  -6.591   0.297   1.960
  232    H    THR  48           H        THR  48  -5.410  -3.907   3.326
  233    HA   THR  48           HA       THR  48  -2.731  -4.311   3.047
  234    HB   THR  48           HB       THR  48  -4.502  -5.119   5.365
  235    HG1  THR  48           1HG      THR  48  -4.644  -2.903   4.804
  236   1HG2  THR  48          1HG2      THR  48  -2.479  -4.840   6.746
  237   2HG2  THR  48          2HG2      THR  48  -1.527  -4.601   5.280
  238   3HG2  THR  48          3HG2      THR  48  -2.310  -6.152   5.581
  239    H    GLY  49           H        GLY  49  -5.027  -6.838   4.113
  240   1HA   GLY  49          2HA       GLY  49  -3.399  -9.031   3.990
  241   2HA   GLY  49          1HA       GLY  49  -5.111  -9.081   3.608
  242    H    LEU  50           H        LEU  50  -5.052  -7.495   1.258
  243    HA   LEU  50           HA       LEU  50  -4.264  -9.557  -0.587
  244   1HB   LEU  50          2HB       LEU  50  -5.363  -6.786  -1.052
  245   2HB   LEU  50          1HB       LEU  50  -5.075  -7.960  -2.321
  246    HG   LEU  50           HG       LEU  50  -7.034  -8.268  -0.045
  247   1HD1  LEU  50          1HD1      LEU  50  -8.727  -8.059  -1.784
  248   2HD1  LEU  50          2HD1      LEU  50  -7.468  -7.804  -2.992
  249   3HD1  LEU  50          3HD1      LEU  50  -7.714  -6.617  -1.713
  250   1HD2  LEU  50          1HD2      LEU  50  -6.100 -10.415  -0.709
  251   2HD2  LEU  50          2HD2      LEU  50  -6.450 -10.063  -2.400
  252   3HD2  LEU  50          3HD2      LEU  50  -7.771 -10.273  -1.252
  253    H    ALA  51           H        ALA  51  -3.349  -6.175  -0.122
  254    HA   ALA  51           HA       ALA  51  -1.435  -5.972  -2.121
  255   1HB   ALA  51          1HB       ALA  51  -0.840  -3.935  -1.163
  256   2HB   ALA  51          2HB       ALA  51  -1.233  -4.481   0.467
  257   3HB   ALA  51          3HB       ALA  51  -2.530  -4.169  -0.692
  258    H    ARG  52           H        ARG  52  -1.022  -7.010   1.242
  259    HA   ARG  52           HA       ARG  52   1.773  -7.266   1.239
  260   1HB   ARG  52          2HB       ARG  52  -0.392  -8.725   2.746
  261   2HB   ARG  52          1HB       ARG  52   1.313  -9.078   2.999
  262   1HG   ARG  52          2HG       ARG  52   1.733  -6.991   3.922
  263   2HG   ARG  52          1HG       ARG  52   0.272  -6.284   3.232
  264   1HD   ARG  52          2HD       ARG  52  -0.007  -6.594   5.608
  265   2HD   ARG  52          1HD       ARG  52  -1.088  -7.670   4.728
  266    HE   ARG  52           HE       ARG  52   1.307  -9.026   5.365
  267   1HH1  ARG  52          1HH1      ARG  52  -1.614  -7.787   6.828
  268   2HH1  ARG  52          2HH1      ARG  52  -1.628  -8.943   8.122
  269   1HH2  ARG  52          1HH2      ARG  52   1.317 -10.557   7.105
  270   2HH2  ARG  52          2HH2      ARG  52   0.055 -10.484   8.306
  271    H    SER  53           H        SER  53  -0.759  -9.582   0.370
  272    HA   SER  53           HA       SER  53   1.064 -11.650  -0.337
  273   1HB   SER  53          2HB       SER  53  -1.366 -11.909   0.363
  274   2HB   SER  53          1HB       SER  53  -1.797 -11.385  -1.265
  275    HG   SER  53           HG       SER  53   0.072 -13.451  -1.011
  276    H    LYS  54           H        LYS  54   0.252  -8.774  -1.924
  277    HA   LYS  54           HA       LYS  54   0.437  -9.911  -4.590
  278   1HB   LYS  54          2HB       LYS  54  -0.030  -7.074  -3.680
  279   2HB   LYS  54          1HB       LYS  54   0.075  -7.563  -5.367
  280   1HG   LYS  54          2HG       LYS  54  -1.990  -8.379  -3.343
  281   2HG   LYS  54          1HG       LYS  54  -2.225  -7.432  -4.814
  282   1HD   LYS  54          2HD       LYS  54  -1.629  -9.369  -6.167
  283   2HD   LYS  54          1HD       LYS  54  -1.345 -10.312  -4.706
  284   1HE   LYS  54          2HE       LYS  54  -3.690 -10.089  -4.089
  285   2HE   LYS  54          1HE       LYS  54  -3.985  -9.102  -5.521
  286   1HZ   LYS  54          1HZ       LYS  54  -4.671 -11.388  -5.884
  287   2HZ   LYS  54          2HZ       LYS  54  -3.111 -11.948  -5.521
  288   3HZ   LYS  54          3HZ       LYS  54  -3.369 -11.001  -6.901
  289    H    GLY  55           H        GLY  55   2.278  -7.383  -2.758
  290   1HA   GLY  55          2HA       GLY  55   4.773  -8.149  -3.253
  291   2HA   GLY  55          1HA       GLY  55   4.334  -7.465  -4.810
  292    H    PHE  56           H        PHE  56   3.168  -6.256  -1.764
  293    HA   PHE  56           HA       PHE  56   5.078  -4.010  -1.795
  294   1HB   PHE  56          2HB       PHE  56   2.230  -3.424  -1.110
  295   2HB   PHE  56          1HB       PHE  56   3.442  -2.369  -1.820
  296    HD1  PHE  56           1HD      PHE  56   4.013  -2.677  -4.265
  297    HD2  PHE  56           2HD      PHE  56   0.644  -4.514  -2.423
  298    HE1  PHE  56           1HE      PHE  56   2.994  -3.009  -6.468
  299    HE2  PHE  56           2HE      PHE  56  -0.383  -4.845  -4.633
  300    HZ   PHE  56           HZ       PHE  56   0.789  -4.092  -6.662
  301    H    ARG  57           H        ARG  57   5.272  -2.955   0.477
  302    HA   ARG  57           HA       ARG  57   4.197  -4.600   2.558
  303   1HB   ARG  57          2HB       ARG  57   5.385  -2.986   4.005
  304   2HB   ARG  57          1HB       ARG  57   6.444  -3.636   2.765
  305   1HG   ARG  57          2HG       ARG  57   6.789  -1.634   1.840
  306   2HG   ARG  57          1HG       ARG  57   5.104  -1.148   2.021
  307   1HD   ARG  57          2HD       ARG  57   6.585   0.267   3.351
  308   2HD   ARG  57          1HD       ARG  57   5.481  -0.649   4.373
  309    HE   ARG  57           HE       ARG  57   7.441  -2.194   4.736
  310   1HH1  ARG  57          1HH1      ARG  57   7.904   1.175   3.903
  311   2HH1  ARG  57          2HH1      ARG  57   9.415   1.315   4.751
  312   1HH2  ARG  57          1HH2      ARG  57   9.419  -2.014   5.865
  313   2HH2  ARG  57          2HH2      ARG  57  10.282  -0.501   5.846
  314    H    VAL  58           H        VAL  58   3.599  -2.667   4.448
  315    HA   VAL  58           HA       VAL  58   1.448  -1.093   3.314
  316    HB   VAL  58           HB       VAL  58   1.078  -2.927   5.695
  317   1HG1  VAL  58          1HG1      VAL  58  -1.264  -2.135   5.650
  318   2HG1  VAL  58          2HG1      VAL  58  -0.823  -0.965   4.407
  319   3HG1  VAL  58          3HG1      VAL  58  -0.117  -0.846   6.018
  320   1HG2  VAL  58          1HG2      VAL  58   1.006  -4.136   3.572
  321   2HG2  VAL  58          2HG2      VAL  58  -0.207  -3.007   2.966
  322   3HG2  VAL  58          3HG2      VAL  58  -0.589  -4.069   4.322
  323    H    LEU  59           H        LEU  59   1.853   0.917   3.928
  324    HA   LEU  59           HA       LEU  59   3.559   1.377   6.249
  325   1HB   LEU  59          2HB       LEU  59   3.599   2.450   3.768
  326   2HB   LEU  59          1HB       LEU  59   2.624   3.644   4.597
  327    HG   LEU  59           HG       LEU  59   5.009   4.253   4.521
  328   1HD1  LEU  59          1HD1      LEU  59   3.966   3.666   7.282
  329   2HD1  LEU  59          2HD1      LEU  59   3.652   5.114   6.326
  330   3HD1  LEU  59          3HD1      LEU  59   5.284   4.770   6.895
  331   1HD2  LEU  59          1HD2      LEU  59   5.396   1.785   6.205
  332   2HD2  LEU  59          2HD2      LEU  59   6.620   3.012   5.884
  333   3HD2  LEU  59          3HD2      LEU  59   5.983   2.036   4.562
  334    H    ASP  60           H        ASP  60   2.885   2.420   8.068
  335    HA   ASP  60           HA       ASP  60   0.003   3.024   8.217
  336   1HB   ASP  60          2HB       ASP  60   1.030   1.126   9.647
  337   2HB   ASP  60          1HB       ASP  60   1.745   2.422  10.603
  338    H    ALA  61           H        ALA  61   0.217   4.390  10.770
  339    HA   ALA  61           HA       ALA  61   0.748   6.979   9.631
  340   1HB   ALA  61          1HB       ALA  61  -0.118   6.240  12.423
  341   2HB   ALA  61          2HB       ALA  61  -1.192   6.594  11.070
  342   3HB   ALA  61          3HB       ALA  61  -0.146   7.857  11.718
  343    H    CYS  62           H        CYS  62   1.901   8.648  10.957
  344    HA   CYS  62           HA       CYS  62   3.794   9.521  11.824
  345   1HB   CYS  62          2HB       CYS  62   3.806   6.925  13.373
  346   2HB   CYS  62          1HB       CYS  62   4.858   8.295  13.718
  347    HG   CYS  62           HG       CYS  62   1.754   7.756  14.686
  348    H    SER  63           H        SER  63   4.052   8.201   9.332
  349    HA   SER  63           HA       SER  63   6.919   7.967   9.332
  350   1HB   SER  63          2HB       SER  63   6.265   5.640   9.817
  351   2HB   SER  63          1HB       SER  63   5.245   5.628   8.377
  352    HG   SER  63           HG       SER  63   7.735   4.932   8.481
  353    H    SER  64           H        SER  64   7.763   8.750   7.519
  354    HA   SER  64           HA       SER  64   5.933   9.356   5.303
  355   1HB   SER  64          2HB       SER  64   8.589  10.591   6.061
  356   2HB   SER  64          1HB       SER  64   7.641  11.036   4.641
  357    HG   SER  64           HG       SER  64   7.346  12.348   6.609
  358    H    GLU  65           H        GLU  65   7.819   6.940   6.104
  359    HA   GLU  65           HA       GLU  65   9.587   6.690   3.879
  360   1HB   GLU  65          2HB       GLU  65   9.827   5.594   6.146
  361   2HB   GLU  65          1HB       GLU  65   8.565   4.476   5.654
  362   1HG   GLU  65          2HG       GLU  65   9.940   3.673   3.837
  363   2HG   GLU  65          1HG       GLU  65  11.193   4.849   4.238
  364    H    ALA  66           H        ALA  66   6.324   6.601   4.008
  365    HA   ALA  66           HA       ALA  66   5.813   4.454   2.154
  366   1HB   ALA  66          1HB       ALA  66   4.061   6.757   3.011
  367   2HB   ALA  66          2HB       ALA  66   4.107   5.162   3.763
  368   3HB   ALA  66          3HB       ALA  66   3.541   5.340   2.101
  369    H    THR  67           H        THR  67   5.914   4.622  -0.059
  370    HA   THR  67           HA       THR  67   6.441   7.304  -1.147
  371    HB   THR  67           HB       THR  67   8.113   5.540  -1.627
  372    HG1  THR  67           1HG      THR  67   6.925   7.103  -3.441
  373   1HG2  THR  67          1HG2      THR  67   6.620   3.597  -1.594
  374   2HG2  THR  67          2HG2      THR  67   7.540   3.655  -3.098
  375   3HG2  THR  67          3HG2      THR  67   5.849   4.155  -3.079
  376    H    HIS  68           H        HIS  68   3.782   6.004  -0.417
  377    HA   HIS  68           HA       HIS  68   2.455   7.237  -2.704
  378   1HB   HIS  68          2HB       HIS  68   2.050   4.404  -1.821
  379   2HB   HIS  68          1HB       HIS  68   0.704   5.308  -2.501
  380    HD1  HIS  68           1HD      HIS  68   1.010   6.123  -5.019
  381    HD2  HIS  68           2HD      HIS  68   3.839   3.393  -3.666
  382    HE1  HIS  68           1HE      HIS  68   2.144   5.246  -7.085
  383    HE2  HIS  68           2HE      HIS  68   3.917   3.661  -6.241
  384    H    VAL  69           H        VAL  69   0.675   8.265  -2.274
  385    HA   VAL  69           HA       VAL  69  -0.465   8.047   0.427
  386    HB   VAL  69           HB       VAL  69  -0.345  10.472  -1.374
  387   1HG1  VAL  69          1HG1      VAL  69  -1.692  11.601   0.356
  388   2HG1  VAL  69          2HG1      VAL  69  -1.925  10.050   1.160
  389   3HG1  VAL  69          3HG1      VAL  69  -2.579  10.312  -0.455
  390   1HG2  VAL  69          1HG2      VAL  69   1.633  10.050   0.028
  391   2HG2  VAL  69          2HG2      VAL  69   0.599  10.033   1.461
  392   3HG2  VAL  69          3HG2      VAL  69   0.777  11.514   0.517
  393    H    VAL  70           H        VAL  70  -2.299   7.060   0.396
  394    HA   VAL  70           HA       VAL  70  -3.879   6.966  -2.120
  395    HB   VAL  70           HB       VAL  70  -3.929   4.865   0.045
  396   1HG1  VAL  70          1HG1      VAL  70  -5.760   4.836  -1.511
  397   2HG1  VAL  70          2HG1      VAL  70  -4.716   3.439  -1.767
  398   3HG1  VAL  70          3HG1      VAL  70  -4.635   4.813  -2.868
  399   1HG2  VAL  70          1HG2      VAL  70  -1.614   5.025  -0.673
  400   2HG2  VAL  70          2HG2      VAL  70  -2.112   4.928  -2.362
  401   3HG2  VAL  70          3HG2      VAL  70  -2.346   3.545  -1.294
  402    H    MET  71           H        MET  71  -5.851   7.686  -2.020
  403    HA   MET  71           HA       MET  71  -7.044   8.243   0.610
  404   1HB   MET  71          2HB       MET  71  -6.663   9.957  -1.781
  405   2HB   MET  71          1HB       MET  71  -8.187  10.120  -0.925
  406   1HG   MET  71          2HG       MET  71  -5.507  10.347   0.406
  407   2HG   MET  71          1HG       MET  71  -6.401  11.721  -0.244
  408   1HE   MET  71          1HE       MET  71  -7.313  12.621   3.296
  409   2HE   MET  71          2HE       MET  71  -7.065  13.196   1.651
  410   3HE   MET  71          3HE       MET  71  -5.763  12.361   2.496
  411    H    GLU  72           H        GLU  72  -9.170   7.751   0.858
  412    HA   GLU  72           HA       GLU  72 -10.468   6.371  -1.379
  413   1HB   GLU  72          2HB       GLU  72 -10.336   4.959   0.527
  414   2HB   GLU  72          1HB       GLU  72 -10.810   6.249   1.617
  415   1HG   GLU  72          2HG       GLU  72 -12.597   4.676   1.414
  416   2HG   GLU  72          1HG       GLU  72 -13.075   6.191   0.655
  417    H    GLU  73           H        GLU  73 -12.172   7.217  -2.355
  418    HA   GLU  73           HA       GLU  73 -13.633   8.782  -3.051
  419   1HB   GLU  73          2HB       GLU  73 -14.728   7.563  -1.016
  420   2HB   GLU  73          1HB       GLU  73 -14.508   9.114  -0.209
  421   1HG   GLU  73          2HG       GLU  73 -15.787  10.210  -1.957
  422   2HG   GLU  73          1HG       GLU  73 -15.984   8.660  -2.775
  423    H    THR  74           H        THR  74 -11.169   9.833  -2.735
  424    HA   THR  74           HA       THR  74 -11.705  12.500  -1.604
  425    HB   THR  74           HB       THR  74  -9.087  10.987  -1.572
  426    HG1  THR  74           1HG      THR  74 -10.926  10.442  -0.049
  427   1HG2  THR  74          1HG2      THR  74  -8.774  13.417  -1.784
  428   2HG2  THR  74          2HG2      THR  74  -8.252  12.824  -0.210
  429   3HG2  THR  74          3HG2      THR  74  -9.796  13.662  -0.367
  430    H    SER  75           H        SER  75 -11.347  14.156  -2.942
  431    HA   SER  75           HA       SER  75 -10.388  13.562  -5.621
  432   1HB   SER  75          2HB       SER  75 -11.657  16.065  -4.484
  433   2HB   SER  75          1HB       SER  75 -11.289  15.784  -6.188
  434    HG   SER  75           HG       SER  75 -12.637  13.711  -5.609
  435    H    ALA  76           H        ALA  76  -9.129  15.578  -6.597
  436    HA   ALA  76           HA       ALA  76  -6.545  15.284  -5.714
  437   1HB   ALA  76          1HB       ALA  76  -7.202  16.075  -7.947
  438   2HB   ALA  76          2HB       ALA  76  -5.941  17.067  -7.212
  439   3HB   ALA  76          3HB       ALA  76  -7.610  17.644  -7.248
  440    H    GLU  77           H        GLU  77  -8.495  18.253  -5.271
  441    HA   GLU  77           HA       GLU  77  -6.458  19.522  -3.770
  442   1HB   GLU  77          2HB       GLU  77  -8.641  20.941  -3.012
  443   2HB   GLU  77          1HB       GLU  77  -7.727  21.218  -4.483
  444   1HG   GLU  77          2HG       GLU  77 -10.013  21.234  -5.056
  445   2HG   GLU  77          1HG       GLU  77  -9.338  19.732  -5.671
  446    H    GLU  78           H        GLU  78  -9.445  17.895  -2.703
  447    HA   GLU  78           HA       GLU  78  -9.254  18.007  -0.017
  448   1HB   GLU  78          2HB       GLU  78  -9.784  15.566  -1.696
  449   2HB   GLU  78          1HB       GLU  78  -9.988  15.589   0.048
  450   1HG   GLU  78          2HG       GLU  78 -11.426  17.344  -1.915
  451   2HG   GLU  78          1HG       GLU  78 -12.093  15.924  -1.109
  452    H    ALA  79           H        ALA  79  -7.377  15.653  -1.952
  453    HA   ALA  79           HA       ALA  79  -5.910  14.770   0.355
  454   1HB   ALA  79          1HB       ALA  79  -4.672  13.363  -1.169
  455   2HB   ALA  79          2HB       ALA  79  -5.339  14.228  -2.554
  456   3HB   ALA  79          3HB       ALA  79  -6.396  13.262  -1.525
  457    H    VAL  80           H        VAL  80  -5.451  17.231  -2.066
  458    HA   VAL  80           HA       VAL  80  -2.676  17.595  -1.781
  459    HB   VAL  80           HB       VAL  80  -4.865  19.478  -2.641
  460   1HG1  VAL  80          1HG1      VAL  80  -1.906  20.058  -2.575
  461   2HG1  VAL  80          2HG1      VAL  80  -3.136  20.841  -1.583
  462   3HG1  VAL  80          3HG1      VAL  80  -3.138  21.065  -3.333
  463   1HG2  VAL  80          1HG2      VAL  80  -3.814  19.230  -4.825
  464   2HG2  VAL  80          2HG2      VAL  80  -4.270  17.660  -4.159
  465   3HG2  VAL  80          3HG2      VAL  80  -2.585  18.182  -4.120
  466    H    SER  81           H        SER  81  -5.411  19.102  -0.061
  467    HA   SER  81           HA       SER  81  -3.884  20.676   1.692
  468   1HB   SER  81          2HB       SER  81  -6.520  19.315   2.310
  469   2HB   SER  81          1HB       SER  81  -5.863  20.749   3.098
  470    HG   SER  81           HG       SER  81  -7.497  20.874   1.215
  471    H    TRP  82           H        TRP  82  -5.205  17.429   2.100
  472    HA   TRP  82           HA       TRP  82  -4.050  16.655   4.462
  473   1HB   TRP  82          2HB       TRP  82  -5.371  14.987   3.626
  474   2HB   TRP  82          1HB       TRP  82  -4.786  15.200   1.981
  475    HD1  TRP  82           HD       TRP  82  -3.190  13.423   1.129
  476    HE1  TRP  82           1HE      TRP  82  -1.769  11.567   2.177
  477    HE3  TRP  82           3HE      TRP  82  -3.997  14.466   6.066
  478    HZ2  TRP  82           2HZ      TRP  82  -1.080  10.650   4.743
  479    HZ3  TRP  82           3HZ      TRP  82  -2.914  13.046   7.758
  480    HH2  TRP  82           HH       TRP  82  -1.481  11.175   7.100
  481    H    GLN  83           H        GLN  83  -2.466  16.549   1.272
  482    HA   GLN  83           HA       GLN  83   0.031  15.589   2.052
  483   1HB   GLN  83          2HB       GLN  83  -0.529  15.828  -0.272
  484   2HB   GLN  83          1HB       GLN  83  -0.735  17.565  -0.097
  485   1HG   GLN  83          2HG       GLN  83   1.703  17.695   0.472
  486   2HG   GLN  83          1HG       GLN  83   1.828  15.998   0.007
  487   1HE2  GLN  83          1HE2      GLN  83  -0.333  18.222  -1.566
  488   2HE2  GLN  83          2HE2      GLN  83   0.503  18.279  -3.082
  489    H    GLU  84           H        GLU  84  -1.204  18.876   2.013
  490    HA   GLU  84           HA       GLU  84   1.166  20.168   2.822
  491   1HB   GLU  84          2HB       GLU  84  -1.699  21.031   3.199
  492   2HB   GLU  84          1HB       GLU  84  -0.292  22.063   3.427
  493   1HG   GLU  84          2HG       GLU  84  -1.058  20.703   0.866
  494   2HG   GLU  84          1HG       GLU  84  -1.332  22.403   1.241
  495    H    ARG  85           H        ARG  85  -1.592  18.931   4.658
  496    HA   ARG  85           HA       ARG  85  -0.774  19.589   7.234
  497   1HB   ARG  85          2HB       ARG  85  -2.392  17.276   6.183
  498   2HB   ARG  85          1HB       ARG  85  -2.089  17.493   7.902
  499   1HG   ARG  85          2HG       ARG  85  -3.463  19.481   6.102
  500   2HG   ARG  85          1HG       ARG  85  -4.258  18.392   7.242
  501   1HD   ARG  85          2HD       ARG  85  -3.045  19.441   9.086
  502   2HD   ARG  85          1HD       ARG  85  -2.258  20.532   7.950
  503    HE   ARG  85           HE       ARG  85  -4.892  20.977   7.502
  504   1HH1  ARG  85          1HH1      ARG  85  -2.930  20.916  10.404
  505   2HH1  ARG  85          2HH1      ARG  85  -3.868  22.143  11.220
  506   1HH2  ARG  85          1HH2      ARG  85  -6.140  22.555   8.556
  507   2HH2  ARG  85          2HH2      ARG  85  -5.723  23.061  10.171
  508    H    ARG  86           H        ARG  86   0.432  17.127   5.106
  509    HA   ARG  86           HA       ARG  86   1.799  15.641   7.160
  510   1HB   ARG  86          2HB       ARG  86   2.194  15.690   4.166
  511   2HB   ARG  86          1HB       ARG  86   3.076  14.633   5.257
  512   1HG   ARG  86          2HG       ARG  86   0.722  13.871   6.008
  513   2HG   ARG  86          1HG       ARG  86   0.208  14.579   4.476
  514   1HD   ARG  86          2HD       ARG  86   0.710  12.154   4.308
  515   2HD   ARG  86          1HD       ARG  86   1.711  13.148   3.249
  516    HE   ARG  86           HE       ARG  86   3.404  12.955   5.163
  517   1HH1  ARG  86          1HH1      ARG  86   1.141  10.434   4.281
  518   2HH1  ARG  86          2HH1      ARG  86   2.149   9.150   4.858
  519   1HH2  ARG  86          1HH2      ARG  86   4.742  11.258   5.933
  520   2HH2  ARG  86          2HH2      ARG  86   4.190   9.615   5.818
  521    H    MET  87           H        MET  87   2.658  18.052   4.766
  522    HA   MET  87           HA       MET  87   5.409  18.149   5.304
  523   1HB   MET  87          2HB       MET  87   3.488  20.133   4.115
  524   2HB   MET  87          1HB       MET  87   5.213  20.449   4.226
  525   1HG   MET  87          2HG       MET  87   3.946  18.157   2.740
  526   2HG   MET  87          1HG       MET  87   4.518  19.655   2.012
  527   1HE   MET  87          1HE       MET  87   7.019  16.047   3.276
  528   2HE   MET  87          2HE       MET  87   5.326  16.075   2.777
  529   3HE   MET  87          3HE       MET  87   5.788  16.681   4.368
  530    H    ALA  88           H        ALA  88   2.748  20.224   6.493
  531    HA   ALA  88           HA       ALA  88   4.308  21.856   8.124
  532   1HB   ALA  88          1HB       ALA  88   1.990  22.329   7.466
  533   2HB   ALA  88          2HB       ALA  88   2.234  22.473   9.205
  534   3HB   ALA  88          3HB       ALA  88   1.435  21.046   8.544
  535    H    ALA  89           H        ALA  89   3.327  18.583   8.612
  536    HA   ALA  89           HA       ALA  89   3.776  18.756  11.500
  537   1HB   ALA  89          1HB       ALA  89   2.800  16.448   9.827
  538   2HB   ALA  89          2HB       ALA  89   1.792  17.558  10.755
  539   3HB   ALA  89          3HB       ALA  89   2.909  16.475  11.587
  540    H    ALA  90           H        ALA  90   5.184  17.451   8.600
  541    HA   ALA  90           HA       ALA  90   7.142  15.878  10.062
  542   1HB   ALA  90          1HB       ALA  90   6.796  16.284   7.095
  543   2HB   ALA  90          2HB       ALA  90   6.109  14.961   8.034
  544   3HB   ALA  90          3HB       ALA  90   7.859  15.106   7.867
  545    HA   PRO  91           HA       PRO  91  10.468  18.858   9.951
  546   1HB   PRO  91          2HB       PRO  91  12.182  16.584   9.122
  547   2HB   PRO  91          1HB       PRO  91  12.342  17.665  10.509
  548   1HG   PRO  91          2HG       PRO  91  11.536  15.139  10.816
  549   2HG   PRO  91          1HG       PRO  91  10.850  16.451  11.795
  550   1HD   PRO  91          2HD       PRO  91   9.684  15.033   9.430
  551   2HD   PRO  91          1HD       PRO  91   8.888  15.594  10.915
  552    HA   PRO  92           HA       PRO  92  10.757  20.212   5.810
  553   1HB   PRO  92          2HB       PRO  92  13.547  21.022   6.433
  554   2HB   PRO  92          1HB       PRO  92  12.197  21.993   5.837
  555   1HG   PRO  92          2HG       PRO  92  12.988  22.193   8.362
  556   2HG   PRO  92          1HG       PRO  92  11.264  22.229   7.947
  557   1HD   PRO  92          2HD       PRO  92  12.894  19.996   9.090
  558   2HD   PRO  92          1HD       PRO  92  11.234  20.494   9.481
  559    H    GLY  93           H        GLY  93  13.070  17.925   6.989
  560   1HA   GLY  93          2HA       GLY  93  14.406  17.514   4.472
  561   2HA   GLY  93          1HA       GLY  93  14.535  16.498   5.900
  562    H    CYS  94           H        CYS  94  11.392  16.632   5.691
  563    HA   CYS  94           HA       CYS  94  11.162  14.093   4.383
  564   1HB   CYS  94          2HB       CYS  94   9.815  14.583   6.353
  565   2HB   CYS  94          1HB       CYS  94   9.065  15.946   5.531
  566    HG   CYS  94           HG       CYS  94   8.475  13.504   3.559
  567    H    THR  95           H        THR  95  10.774  13.740   2.318
  568    HA   THR  95           HA       THR  95   9.783  15.932   0.640
  569    HB   THR  95           HB       THR  95  11.009  13.294  -0.195
  570    HG1  THR  95           1HG      THR  95  12.149  15.480   0.862
  571   1HG2  THR  95          1HG2      THR  95   9.626  14.316  -1.932
  572   2HG2  THR  95          2HG2      THR  95  11.336  14.419  -2.358
  573   3HG2  THR  95          3HG2      THR  95  10.494  15.841  -1.741
  574    HA   PRO  96           HA       PRO  96   5.771  14.014   0.692
  575   1HB   PRO  96          2HB       PRO  96   4.798  15.255  -1.564
  576   2HB   PRO  96          1HB       PRO  96   4.833  15.990   0.041
  577   1HG   PRO  96          2HG       PRO  96   6.729  16.334  -2.242
  578   2HG   PRO  96          1HG       PRO  96   6.093  17.550  -1.120
  579   1HD   PRO  96          2HD       PRO  96   8.570  16.552  -0.851
  580   2HD   PRO  96          1HD       PRO  96   7.572  16.953   0.564
  581    HA   PRO  97           HA       PRO  97   6.354  10.692  -2.311
  582   1HB   PRO  97          2HB       PRO  97   4.316   9.175  -1.395
  583   2HB   PRO  97          1HB       PRO  97   5.874   9.262  -0.558
  584   1HG   PRO  97          2HG       PRO  97   3.332  10.741   0.025
  585   2HG   PRO  97          1HG       PRO  97   4.413   9.897   1.149
  586   1HD   PRO  97          2HD       PRO  97   4.497  12.570   0.829
  587   2HD   PRO  97          1HD       PRO  97   5.959  11.616   1.155
  588    H    ALA  98           H        ALA  98   4.417   9.389  -3.584
  589    HA   ALA  98           HA       ALA  98   3.237  11.353  -5.245
  590   1HB   ALA  98          1HB       ALA  98   2.580   8.407  -5.160
  591   2HB   ALA  98          2HB       ALA  98   3.990   9.080  -5.983
  592   3HB   ALA  98          3HB       ALA  98   2.366   9.522  -6.512
  593    H    LEU  99           H        LEU  99   1.431  12.443  -4.899
  594    HA   LEU  99           HA       LEU  99  -0.486  11.523  -2.914
  595   1HB   LEU  99          2HB       LEU  99   0.330  13.898  -3.064
  596   2HB   LEU  99          1HB       LEU  99  -0.508  14.033  -4.594
  597    HG   LEU  99           HG       LEU  99  -2.653  13.563  -3.385
  598   1HD1  LEU  99          1HD1      LEU  99  -1.725  12.413  -1.453
  599   2HD1  LEU  99          2HD1      LEU  99  -2.662  13.822  -0.953
  600   3HD1  LEU  99          3HD1      LEU  99  -0.898  13.888  -0.956
  601   1HD2  LEU  99          1HD2      LEU  99  -2.806  15.792  -2.407
  602   2HD2  LEU  99          2HD2      LEU  99  -1.968  15.826  -3.957
  603   3HD2  LEU  99          3HD2      LEU  99  -1.049  15.937  -2.456
  604    H    LEU 100           H        LEU 100  -2.241  10.388  -3.462
  605    HA   LEU 100           HA       LEU 100  -3.568  10.707  -5.949
  606   1HB   LEU 100          2HB       LEU 100  -3.112   8.131  -6.465
  607   2HB   LEU 100          1HB       LEU 100  -2.165   9.431  -7.150
  608    HG   LEU 100           HG       LEU 100  -0.627   9.003  -5.054
  609   1HD1  LEU 100          1HD1      LEU 100  -0.528   6.662  -4.436
  610   2HD1  LEU 100          2HD1      LEU 100  -1.951   6.325  -5.423
  611   3HD1  LEU 100          3HD1      LEU 100  -2.089   7.361  -3.999
  612   1HD2  LEU 100          1HD2      LEU 100   0.038   8.787  -7.387
  613   2HD2  LEU 100          2HD2      LEU 100  -0.705   7.189  -7.459
  614   3HD2  LEU 100          3HD2      LEU 100   0.691   7.467  -6.416
  615    H    ASP 101           H        ASP 101  -4.881   8.364  -6.224
  616    HA   ASP 101           HA       ASP 101  -6.460   8.322  -3.741
  617   1HB   ASP 101          2HB       ASP 101  -7.643   9.523  -5.436
  618   2HB   ASP 101          1HB       ASP 101  -7.281   8.307  -6.649
  619    H    ILE 102           H        ILE 102  -7.720   6.376  -3.384
  620    HA   ILE 102           HA       ILE 102  -6.209   4.033  -3.361
  621    HB   ILE 102           HB       ILE 102  -7.944   4.490  -1.738
  622   1HG1  ILE 102          2HG1      ILE 102  -9.166   2.300  -1.749
  623   2HG1  ILE 102          1HG1      ILE 102  -8.479   1.979  -3.335
  624   1HG2  ILE 102          1HG2      ILE 102 -10.313   4.302  -2.289
  625   2HG2  ILE 102          2HG2      ILE 102  -9.899   4.110  -3.991
  626   3HG2  ILE 102          3HG2      ILE 102  -9.529   5.621  -3.158
  627   1HD1  ILE 102          1HD1      ILE 102  -6.883   2.453  -0.832
  628   2HD1  ILE 102          2HD1      ILE 102  -6.252   2.009  -2.421
  629   3HD1  ILE 102          3HD1      ILE 102  -7.261   0.875  -1.521
  630    H    SER 103           H        SER 103  -7.526   5.351  -6.008
  631    HA   SER 103           HA       SER 103  -8.608   3.041  -7.320
  632   1HB   SER 103          2HB       SER 103  -8.285   4.556  -9.395
  633   2HB   SER 103          1HB       SER 103  -9.430   5.068  -8.156
  634    HG   SER 103           HG       SER 103  -8.118   6.643  -7.542
  635    H    TRP 104           H        TRP 104  -5.436   4.358  -6.882
  636    HA   TRP 104           HA       TRP 104  -4.171   2.943  -9.019
  637   1HB   TRP 104          2HB       TRP 104  -2.890   4.746  -8.257
  638   2HB   TRP 104          1HB       TRP 104  -3.198   4.375  -6.562
  639    HD1  TRP 104           HD       TRP 104  -1.014   3.156  -9.521
  640    HE1  TRP 104           1HE      TRP 104   1.029   1.901  -8.552
  641    HE3  TRP 104           3HE      TRP 104  -2.300   3.192  -4.568
  642    HZ2  TRP 104           2HZ      TRP 104   1.951   1.045  -6.037
  643    HZ3  TRP 104           3HZ      TRP 104  -0.782   2.134  -2.947
  644    HH2  TRP 104           HH       TRP 104   1.300   1.084  -3.669
  645    H    LEU 105           H        LEU 105  -5.171   2.119  -5.810
  646    HA   LEU 105           HA       LEU 105  -3.106   0.115  -5.493
  647   1HB   LEU 105          2HB       LEU 105  -3.838   1.536  -3.596
  648   2HB   LEU 105          1HB       LEU 105  -5.401   0.740  -3.647
  649    HG   LEU 105           HG       LEU 105  -4.402  -1.383  -3.051
  650   1HD1  LEU 105          1HD1      LEU 105  -1.766   0.086  -3.101
  651   2HD1  LEU 105          2HD1      LEU 105  -2.296  -1.135  -4.260
  652   3HD1  LEU 105          3HD1      LEU 105  -2.015  -1.579  -2.577
  653   1HD2  LEU 105          1HD2      LEU 105  -3.412   0.866  -1.307
  654   2HD2  LEU 105          2HD2      LEU 105  -3.549  -0.822  -0.823
  655   3HD2  LEU 105          3HD2      LEU 105  -4.998   0.099  -1.228
  656    H    THR 106           H        THR 106  -6.604   0.191  -6.057
  657    HA   THR 106           HA       THR 106  -7.037  -2.528  -5.482
  658    HB   THR 106           HB       THR 106  -9.107  -2.141  -6.981
  659    HG1  THR 106           1HG      THR 106  -9.331  -0.207  -7.842
  660   1HG2  THR 106          1HG2      THR 106  -8.595  -0.447  -4.528
  661   2HG2  THR 106          2HG2      THR 106  -9.193  -2.107  -4.547
  662   3HG2  THR 106          3HG2      THR 106 -10.187  -0.805  -5.200
  663    H    GLU 107           H        GLU 107  -6.796  -0.908  -8.683
  664    HA   GLU 107           HA       GLU 107  -6.563  -3.096 -10.290
  665   1HB   GLU 107          2HB       GLU 107  -4.937  -0.567 -10.591
  666   2HB   GLU 107          1HB       GLU 107  -5.409  -1.676 -11.874
  667   1HG   GLU 107          2HG       GLU 107  -7.770  -1.128 -11.437
  668   2HG   GLU 107          1HG       GLU 107  -7.252   0.039 -10.223
  669    H    SER 108           H        SER 108  -3.728  -1.325  -9.110
  670    HA   SER 108           HA       SER 108  -1.748  -3.082  -9.760
  671   1HB   SER 108          2HB       SER 108  -0.430  -2.241  -7.797
  672   2HB   SER 108          1HB       SER 108  -1.142  -0.975  -8.792
  673    HG   SER 108           HG       SER 108  -2.536  -0.494  -7.231
  674    H    LEU 109           H        LEU 109  -3.791  -3.342  -6.855
  675    HA   LEU 109           HA       LEU 109  -2.634  -5.647  -5.795
  676   1HB   LEU 109          2HB       LEU 109  -5.493  -4.727  -5.724
  677   2HB   LEU 109          1HB       LEU 109  -4.902  -6.116  -4.834
  678    HG   LEU 109           HG       LEU 109  -4.355  -3.218  -4.382
  679   1HD1  LEU 109          1HD1      LEU 109  -4.804  -3.878  -2.069
  680   2HD1  LEU 109          2HD1      LEU 109  -5.027  -5.543  -2.605
  681   3HD1  LEU 109          3HD1      LEU 109  -6.138  -4.288  -3.149
  682   1HD2  LEU 109          1HD2      LEU 109  -2.508  -3.825  -2.891
  683   2HD2  LEU 109          2HD2      LEU 109  -2.150  -4.204  -4.577
  684   3HD2  LEU 109          3HD2      LEU 109  -2.608  -5.491  -3.462
  685    H    GLY 110           H        GLY 110  -5.348  -5.375  -8.095
  686   1HA   GLY 110          2HA       GLY 110  -5.826  -8.135  -8.349
  687   2HA   GLY 110          1HA       GLY 110  -6.255  -6.913  -9.537
  688    H    ALA 111           H        ALA 111  -3.886  -5.968 -10.398
  689    HA   ALA 111           HA       ALA 111  -2.867  -7.922 -12.112
  690   1HB   ALA 111          1HB       ALA 111  -1.501  -5.381 -11.236
  691   2HB   ALA 111          2HB       ALA 111  -2.722  -5.494 -12.503
  692   3HB   ALA 111          3HB       ALA 111  -1.169  -6.304 -12.702
  693    H    GLY 112           H        GLY 112  -1.865  -6.966  -8.903
  694   1HA   GLY 112          2HA       GLY 112  -0.577  -8.193  -7.407
  695   2HA   GLY 112          1HA       GLY 112  -0.179  -9.312  -8.705
  696    H    GLN 113           H        GLN 113   0.205  -5.962  -9.308
  697    HA   GLN 113           HA       GLN 113   3.026  -5.920  -8.643
  698   1HB   GLN 113          2HB       GLN 113   3.701  -5.369 -10.972
  699   2HB   GLN 113          1HB       GLN 113   3.111  -7.015 -10.806
  700   1HG   GLN 113          2HG       GLN 113   1.016  -6.442 -11.801
  701   2HG   GLN 113          1HG       GLN 113   1.421  -4.728 -11.786
  702   1HE2  GLN 113          1HE2      GLN 113   4.128  -5.041 -12.684
  703   2HE2  GLN 113          2HE2      GLN 113   4.059  -5.506 -14.350
  704    HA   PRO 114           HA       PRO 114   2.033  -1.609  -8.253
  705   1HB   PRO 114          2HB       PRO 114   4.535  -0.540  -8.554
  706   2HB   PRO 114          1HB       PRO 114   3.957  -1.271  -7.057
  707   1HG   PRO 114          2HG       PRO 114   5.736  -2.405  -9.157
  708   2HG   PRO 114          1HG       PRO 114   5.793  -2.610  -7.396
  709   1HD   PRO 114          2HD       PRO 114   4.799  -4.496  -9.100
  710   2HD   PRO 114          1HD       PRO 114   4.256  -4.309  -7.420
  711    H    VAL 115           H        VAL 115   0.840  -1.306 -10.097
  712    HA   VAL 115           HA       VAL 115   1.797  -1.257 -12.721
  713    HB   VAL 115           HB       VAL 115  -0.302  -0.088 -13.287
  714   1HG1  VAL 115          1HG1      VAL 115  -0.602  -2.382 -11.355
  715   2HG1  VAL 115          2HG1      VAL 115  -0.309  -2.494 -13.091
  716   3HG1  VAL 115          3HG1      VAL 115  -1.835  -1.838 -12.494
  717   1HG2  VAL 115          1HG2      VAL 115  -0.768  -0.029 -10.304
  718   2HG2  VAL 115          2HG2      VAL 115  -1.935   0.429 -11.548
  719   3HG2  VAL 115          3HG2      VAL 115  -0.461   1.373 -11.333
  720    HA   PRO 116           HA       PRO 116   3.829   2.659 -13.228
  721   1HB   PRO 116          2HB       PRO 116   2.437   2.676 -15.854
  722   2HB   PRO 116          1HB       PRO 116   4.161   2.826 -15.493
  723   1HG   PRO 116          2HG       PRO 116   3.183   0.570 -16.510
  724   2HG   PRO 116          1HG       PRO 116   4.449   0.537 -15.271
  725   1HD   PRO 116          2HD       PRO 116   1.518   0.015 -14.994
  726   2HD   PRO 116          1HD       PRO 116   2.888  -0.805 -14.216
  727    H    VAL 117           H        VAL 117   3.052   4.368 -12.201
  728    HA   VAL 117           HA       VAL 117   0.237   4.863 -12.058
  729    HB   VAL 117           HB       VAL 117   2.509   6.524 -10.968
  730   1HG1  VAL 117          1HG1      VAL 117   0.834   7.396  -9.410
  731   2HG1  VAL 117          2HG1      VAL 117  -0.411   6.439 -10.213
  732   3HG1  VAL 117          3HG1      VAL 117   0.396   7.742 -11.084
  733   1HG2  VAL 117          1HG2      VAL 117   2.637   4.257 -10.117
  734   2HG2  VAL 117          2HG2      VAL 117   0.931   4.304  -9.673
  735   3HG2  VAL 117          3HG2      VAL 117   2.085   5.350  -8.846
  736    H    GLU 118           H        GLU 118  -0.810   5.832 -13.648
  737    HA   GLU 118           HA       GLU 118   0.420   7.794 -15.346
  738   1HB   GLU 118          2HB       GLU 118  -1.841   6.132 -15.465
  739   2HB   GLU 118          1HB       GLU 118  -2.472   7.775 -15.439
  740   1HG   GLU 118          2HG       GLU 118  -0.442   6.689 -17.375
  741   2HG   GLU 118          1HG       GLU 118  -2.146   6.988 -17.712
  742    H    CYS 119           H        CYS 119  -0.265   9.977 -15.523
  743    HA   CYS 119           HA       CYS 119  -0.408  11.375 -13.104
  744   1HB   CYS 119          2HB       CYS 119  -1.122  12.330 -15.885
  745   2HB   CYS 119          1HB       CYS 119  -0.766  13.361 -14.504
  746    HG   CYS 119           HG       CYS 119   1.372  13.121 -16.487
  747    H    ARG 120           H        ARG 120  -2.881   9.954 -15.019
  748    HA   ARG 120           HA       ARG 120  -5.103  11.448 -14.097
  749   1HB   ARG 120          2HB       ARG 120  -5.211  10.005 -16.073
  750   2HB   ARG 120          1HB       ARG 120  -4.949   8.589 -15.069
  751   1HG   ARG 120          2HG       ARG 120  -7.278   8.778 -15.664
  752   2HG   ARG 120          1HG       ARG 120  -7.075   9.018 -13.927
  753   1HD   ARG 120          2HD       ARG 120  -7.232  11.423 -14.215
  754   2HD   ARG 120          1HD       ARG 120  -7.354  11.224 -15.964
  755    HE   ARG 120           HE       ARG 120  -9.385   9.791 -14.533
  756   1HH1  ARG 120          1HH1      ARG 120  -8.479  12.941 -15.754
  757   2HH1  ARG 120          2HH1      ARG 120 -10.113  13.490 -15.952
  758   1HH2  ARG 120          1HH2      ARG 120 -11.546  10.510 -14.764
  759   2HH2  ARG 120          2HH2      ARG 120 -11.864  12.096 -15.411
  760    H    HIS 121           H        HIS 121  -3.397   8.622 -12.831
  761    HA   HIS 121           HA       HIS 121  -5.256   8.340 -10.626
  762   1HB   HIS 121          2HB       HIS 121  -2.867   6.864 -11.580
  763   2HB   HIS 121          1HB       HIS 121  -3.191   6.800  -9.852
  764    HD1  HIS 121           1HD      HIS 121  -6.385   7.023 -11.434
  765    HD2  HIS 121           2HD      HIS 121  -3.615   3.982 -10.841
  766    HE1  HIS 121           1HE      HIS 121  -7.669   4.880 -11.695
  767    HE2  HIS 121           2HE      HIS 121  -5.935   3.052 -11.512
  768    H    ARG 122           H        ARG 122  -2.168   9.781 -11.281
  769    HA   ARG 122           HA       ARG 122  -1.732  10.590  -8.527
  770   1HB   ARG 122          2HB       ARG 122   0.073  10.031 -10.367
  771   2HB   ARG 122          1HB       ARG 122  -0.172  11.711 -10.827
  772   1HG   ARG 122          2HG       ARG 122   0.165  12.068  -8.213
  773   2HG   ARG 122          1HG       ARG 122   1.073  10.567  -8.396
  774   1HD   ARG 122          2HD       ARG 122   2.620  12.347  -8.669
  775   2HD   ARG 122          1HD       ARG 122   2.323  11.678 -10.274
  776    HE   ARG 122           HE       ARG 122   0.593  13.627 -10.337
  777   1HH1  ARG 122          1HH1      ARG 122   3.814  13.712  -8.954
  778   2HH1  ARG 122          2HH1      ARG 122   3.990  15.427  -9.178
  779   1HH2  ARG 122          1HH2      ARG 122   0.841  15.878 -10.636
  780   2HH2  ARG 122          2HH2      ARG 122   2.321  16.644 -10.136
  781    H    LEU 123           H        LEU 123  -4.150  11.427  -9.642
  782    HA   LEU 123           HA       LEU 123  -4.222  13.771 -11.110
  783   1HB   LEU 123          2HB       LEU 123  -6.533  13.850 -10.656
  784   2HB   LEU 123          1HB       LEU 123  -6.083  12.159 -10.736
  785    HG   LEU 123           HG       LEU 123  -6.448  13.652  -8.127
  786   1HD1  LEU 123          1HD1      LEU 123  -8.412  11.912  -9.614
  787   2HD1  LEU 123          2HD1      LEU 123  -8.554  13.647  -9.337
  788   3HD1  LEU 123          3HD1      LEU 123  -8.621  12.528  -7.976
  789   1HD2  LEU 123          1HD2      LEU 123  -6.637  11.389  -7.186
  790   2HD2  LEU 123          2HD2      LEU 123  -5.068  11.655  -7.952
  791   3HD2  LEU 123          3HD2      LEU 123  -6.302  10.708  -8.780
  792    H    GLU 124           H        GLU 124  -2.863  13.797  -8.161
  793    HA   GLU 124           HA       GLU 124  -3.990  15.789  -6.647
  794   1HB   GLU 124          2HB       GLU 124  -1.667  16.314  -5.881
  795   2HB   GLU 124          1HB       GLU 124  -2.086  14.608  -5.815
  796   1HG   GLU 124          2HG       GLU 124  -0.797  14.144  -7.769
  797   2HG   GLU 124          1HG       GLU 124  -0.525  15.860  -8.063
  Start of MODEL    4
    1   1H    GLY  20          1HT       GLY  20  -2.315 -13.370  16.265
    2   2H    GLY  20          2HT       GLY  20  -3.766 -14.113  15.804
    3   3H    GLY  20          3HT       GLY  20  -3.263 -12.691  15.032
    4   1HA   GLY  20          1HA       GLY  20  -1.916 -15.332  14.894
    5   2HA   GLY  20          2HA       GLY  20  -2.857 -14.582  13.610
    6    H    THR  21           H        THR  21  -1.363 -14.191  12.066
    7    HA   THR  21           HA       THR  21   1.311 -13.452  12.578
    8    HB   THR  21           HB       THR  21   1.341 -12.771  10.152
    9    HG1  THR  21           1HG      THR  21  -1.337 -13.766  10.180
   10   1HG2  THR  21          1HG2      THR  21   1.082 -15.046   9.312
   11   2HG2  THR  21          2HG2      THR  21   0.180 -15.492  10.759
   12   3HG2  THR  21          3HG2      THR  21   1.883 -15.053  10.882
   13    HA   PRO  22           HA       PRO  22   0.873  -9.138  13.605
   14   1HB   PRO  22          2HB       PRO  22   3.656  -8.951  12.616
   15   2HB   PRO  22          1HB       PRO  22   3.004  -8.570  14.213
   16   1HG   PRO  22          2HG       PRO  22   4.515 -10.738  13.799
   17   2HG   PRO  22          1HG       PRO  22   3.163 -10.752  14.945
   18   1HD   PRO  22          2HD       PRO  22   3.315 -11.863  12.172
   19   2HD   PRO  22          1HD       PRO  22   2.534 -12.540  13.616
   20    HA   PRO  23           HA       PRO  23  -0.382  -7.100   9.856
   21   1HB   PRO  23          2HB       PRO  23   1.077  -4.851  11.210
   22   2HB   PRO  23          1HB       PRO  23  -0.490  -4.836  10.388
   23   1HG   PRO  23          2HG       PRO  23  -0.361  -4.941  13.040
   24   2HG   PRO  23          1HG       PRO  23  -1.574  -5.882  12.153
   25   1HD   PRO  23          2HD       PRO  23   0.873  -6.801  13.552
   26   2HD   PRO  23          1HD       PRO  23  -0.637  -7.673  13.224
   27    H    SER  24           H        SER  24   0.792  -7.878   8.207
   28    HA   SER  24           HA       SER  24   3.665  -7.422   8.090
   29   1HB   SER  24          2HB       SER  24   2.023  -9.008   6.124
   30   2HB   SER  24          1HB       SER  24   3.727  -9.200   6.540
   31    HG   SER  24           HG       SER  24   2.589  -9.578   8.791
   32    H    THR  25           H        THR  25   4.689  -6.657   6.182
   33    HA   THR  25           HA       THR  25   2.962  -5.137   4.322
   34    HB   THR  25           HB       THR  25   4.750  -3.541   4.013
   35    HG1  THR  25           1HG      THR  25   6.350  -4.735   6.005
   36   1HG2  THR  25          1HG2      THR  25   4.976  -2.604   6.262
   37   2HG2  THR  25          2HG2      THR  25   4.396  -4.119   6.957
   38   3HG2  THR  25          3HG2      THR  25   3.326  -3.140   5.953
   39    H    ARG  26           H        ARG  26   5.822  -7.099   4.792
   40    HA   ARG  26           HA       ARG  26   6.571  -8.913   3.668
   41   1HB   ARG  26          2HB       ARG  26   4.411  -9.523   2.875
   42   2HB   ARG  26          1HB       ARG  26   4.429  -8.238   1.670
   43   1HG   ARG  26          2HG       ARG  26   6.335  -9.337   0.568
   44   2HG   ARG  26          1HG       ARG  26   6.222 -10.654   1.736
   45   1HD   ARG  26          2HD       ARG  26   4.024 -11.209   0.955
   46   2HD   ARG  26          1HD       ARG  26   4.017  -9.813  -0.126
   47    HE   ARG  26           HE       ARG  26   5.643 -10.887  -1.484
   48   1HH1  ARG  26          1HH1      ARG  26   4.262 -12.943   1.006
   49   2HH1  ARG  26          2HH1      ARG  26   4.944 -14.398   0.349
   50   1HH2  ARG  26          1HH2      ARG  26   6.529 -12.805  -2.354
   51   2HH2  ARG  26          2HH2      ARG  26   6.244 -14.323  -1.550
   52    H    PHE  27           H        PHE  27   5.893  -6.193   1.518
   53    HA   PHE  27           HA       PHE  27   8.508  -6.678   0.254
   54   1HB   PHE  27          2HB       PHE  27   6.745  -7.724  -1.099
   55   2HB   PHE  27          1HB       PHE  27   5.896  -6.186  -1.190
   56    HD1  PHE  27           1HD      PHE  27   9.030  -7.904  -2.146
   57    HD2  PHE  27           2HD      PHE  27   6.413  -4.627  -2.838
   58    HE1  PHE  27           1HE      PHE  27  10.293  -7.342  -4.180
   59    HE2  PHE  27           2HE      PHE  27   7.662  -4.056  -4.884
   60    HZ   PHE  27           HZ       PHE  27   9.622  -5.405  -5.541
   61    HA   PRO  28           HA       PRO  28   8.438  -2.236   0.986
   62   1HB   PRO  28          2HB       PRO  28  11.059  -1.957   1.427
   63   2HB   PRO  28          1HB       PRO  28   9.994  -2.685   2.639
   64   1HG   PRO  28          2HG       PRO  28  11.885  -4.002   0.739
   65   2HG   PRO  28          1HG       PRO  28  11.522  -4.408   2.426
   66   1HD   PRO  28          2HD       PRO  28  10.445  -5.672   0.190
   67   2HD   PRO  28          1HD       PRO  28   9.774  -5.734   1.831
   68    H    GLY  29           H        GLY  29  10.707  -0.775   0.129
   69   1HA   GLY  29          2HA       GLY  29  11.755  -0.031  -1.849
   70   2HA   GLY  29          1HA       GLY  29  10.891  -1.276  -2.749
   71    H    VAL  30           H        VAL  30   8.540  -0.977  -3.002
   72    HA   VAL  30           HA       VAL  30   7.844   1.833  -3.293
   73    HB   VAL  30           HB       VAL  30   7.113   0.479  -5.109
   74   1HG1  VAL  30          1HG1      VAL  30   7.046  -1.709  -4.119
   75   2HG1  VAL  30          2HG1      VAL  30   5.480  -1.355  -4.854
   76   3HG1  VAL  30          3HG1      VAL  30   5.679  -1.243  -3.105
   77   1HG2  VAL  30          1HG2      VAL  30   5.618   2.268  -4.505
   78   2HG2  VAL  30          2HG2      VAL  30   4.772   1.210  -3.376
   79   3HG2  VAL  30          3HG2      VAL  30   4.695   0.893  -5.110
   80    H    ALA  31           H        ALA  31   7.240   2.846  -1.561
   81    HA   ALA  31           HA       ALA  31   6.053   1.318   0.625
   82   1HB   ALA  31          1HB       ALA  31   7.441   3.981   0.572
   83   2HB   ALA  31          2HB       ALA  31   8.103   2.451   1.147
   84   3HB   ALA  31          3HB       ALA  31   6.770   3.218   2.013
   85    H    ILE  32           H        ILE  32   4.171   1.926   1.592
   86    HA   ILE  32           HA       ILE  32   2.523   3.883   0.117
   87    HB   ILE  32           HB       ILE  32   1.567   1.199   1.101
   88   1HG1  ILE  32          2HG1      ILE  32   2.151   1.852  -1.782
   89   2HG1  ILE  32          1HG1      ILE  32   3.385   1.157  -0.737
   90   1HG2  ILE  32          1HG2      ILE  32   0.378   3.178  -0.827
   91   2HG2  ILE  32          2HG2      ILE  32  -0.145   2.887   0.832
   92   3HG2  ILE  32          3HG2      ILE  32  -0.319   1.619  -0.380
   93   1HD1  ILE  32          1HD1      ILE  32   0.714  -0.081  -1.325
   94   2HD1  ILE  32          2HD1      ILE  32   2.011  -0.782  -0.356
   95   3HD1  ILE  32          3HD1      ILE  32   2.243  -0.520  -2.084
   96    H    TYR  33           H        TYR  33   1.445   5.265   1.480
   97    HA   TYR  33           HA       TYR  33   0.897   4.295   4.197
   98   1HB   TYR  33          2HB       TYR  33   2.628   6.101   4.153
   99   2HB   TYR  33          1HB       TYR  33   1.458   7.159   3.373
  100    HD1  TYR  33           1HD      TYR  33   0.522   8.723   4.767
  101    HD2  TYR  33           2HD      TYR  33   1.496   4.903   6.370
  102    HE1  TYR  33           1HE      TYR  33  -0.324   9.438   6.963
  103    HE2  TYR  33           2HE      TYR  33   0.662   5.610   8.571
  104    HH   TYR  33           HH       TYR  33  -0.970   8.705   9.010
  105    H    LEU  34           H        LEU  34  -1.208   4.392   4.778
  106    HA   LEU  34           HA       LEU  34  -3.032   5.622   2.827
  107   1HB   LEU  34          2HB       LEU  34  -3.581   3.269   4.645
  108   2HB   LEU  34          1HB       LEU  34  -4.726   3.992   3.531
  109    HG   LEU  34           HG       LEU  34  -2.812   3.381   1.778
  110   1HD1  LEU  34          1HD1      LEU  34  -1.274   2.456   3.408
  111   2HD1  LEU  34          2HD1      LEU  34  -1.842   1.198   2.310
  112   3HD1  LEU  34          3HD1      LEU  34  -2.502   1.309   3.942
  113   1HD2  LEU  34          1HD2      LEU  34  -4.059   1.294   1.334
  114   2HD2  LEU  34          2HD2      LEU  34  -5.107   2.692   1.591
  115   3HD2  LEU  34          3HD2      LEU  34  -4.894   1.499   2.876
  116    H    VAL  35           H        VAL  35  -4.706   6.871   3.587
  117    HA   VAL  35           HA       VAL  35  -4.277   8.025   6.198
  118    HB   VAL  35           HB       VAL  35  -6.415   8.689   4.168
  119   1HG1  VAL  35          1HG1      VAL  35  -6.905   9.511   6.409
  120   2HG1  VAL  35          2HG1      VAL  35  -6.508  10.845   5.327
  121   3HG1  VAL  35          3HG1      VAL  35  -5.314  10.270   6.491
  122   1HG2  VAL  35          1HG2      VAL  35  -3.681   9.905   4.549
  123   2HG2  VAL  35          2HG2      VAL  35  -4.926  10.502   3.449
  124   3HG2  VAL  35          3HG2      VAL  35  -4.200   8.915   3.186
  125    H    GLU  36           H        GLU  36  -5.125   7.272   7.926
  126    HA   GLU  36           HA       GLU  36  -6.782   5.053   8.066
  127   1HB   GLU  36          2HB       GLU  36  -6.262   7.101  10.225
  128   2HB   GLU  36          1HB       GLU  36  -6.851   5.465  10.473
  129   1HG   GLU  36          2HG       GLU  36  -4.178   6.158   9.283
  130   2HG   GLU  36          1HG       GLU  36  -4.451   5.752  10.976
  131    HA   PRO  37           HA       PRO  37 -10.481   7.707   9.388
  132   1HB   PRO  37          2HB       PRO  37 -10.443  10.381   9.377
  133   2HB   PRO  37          1HB       PRO  37  -9.713   9.451  10.691
  134   1HG   PRO  37          2HG       PRO  37  -8.398  10.766   8.348
  135   2HG   PRO  37          1HG       PRO  37  -7.889  10.741  10.047
  136   1HD   PRO  37          2HD       PRO  37  -6.859   9.094   8.107
  137   2HD   PRO  37          1HD       PRO  37  -6.887   8.696   9.835
  138    H    ARG  38           H        ARG  38  -8.943   8.011   6.469
  139    HA   ARG  38           HA       ARG  38 -11.405   8.981   5.190
  140   1HB   ARG  38          2HB       ARG  38  -8.584   9.848   4.646
  141   2HB   ARG  38          1HB       ARG  38  -9.799   9.914   3.375
  142   1HG   ARG  38          2HG       ARG  38  -9.976  11.300   6.044
  143   2HG   ARG  38          1HG       ARG  38  -9.570  12.062   4.501
  144   1HD   ARG  38          2HD       ARG  38 -11.740  11.549   3.617
  145   2HD   ARG  38          1HD       ARG  38 -12.142  10.590   5.040
  146    HE   ARG  38           HE       ARG  38 -11.729  13.520   5.110
  147   1HH1  ARG  38          1HH1      ARG  38 -13.425  10.608   6.070
  148   2HH1  ARG  38          2HH1      ARG  38 -14.522  11.438   7.134
  149   1HH2  ARG  38          1HH2      ARG  38 -13.192  14.627   6.494
  150   2HH2  ARG  38          2HH2      ARG  38 -14.405  13.724   7.362
  151    H    MET  39           H        MET  39 -11.573   6.543   5.294
  152    HA   MET  39           HA       MET  39 -11.286   5.570   2.661
  153   1HB   MET  39          2HB       MET  39  -8.954   5.253   3.401
  154   2HB   MET  39          1HB       MET  39  -9.520   4.265   4.741
  155   1HG   MET  39          2HG       MET  39 -10.198   2.532   3.320
  156   2HG   MET  39          1HG       MET  39 -10.123   3.564   1.891
  157   1HE   MET  39          1HE       MET  39  -6.268   4.106   1.495
  158   2HE   MET  39          2HE       MET  39  -7.405   5.112   2.392
  159   3HE   MET  39          3HE       MET  39  -7.862   4.446   0.825
  160    H    GLY  40           H        GLY  40 -12.932   4.239   2.325
  161   1HA   GLY  40          2HA       GLY  40 -14.745   3.477   4.305
  162   2HA   GLY  40          1HA       GLY  40 -14.659   2.788   2.690
  163    H    ARG  41           H        ARG  41 -14.855   1.867   5.689
  164    HA   ARG  41           HA       ARG  41 -12.675   0.262   6.340
  165   1HB   ARG  41          2HB       ARG  41 -14.427   0.790   7.923
  166   2HB   ARG  41          1HB       ARG  41 -15.609  -0.094   6.970
  167   1HG   ARG  41          2HG       ARG  41 -15.021  -1.447   8.824
  168   2HG   ARG  41          1HG       ARG  41 -14.290  -2.162   7.383
  169   1HD   ARG  41          2HD       ARG  41 -12.140  -1.294   7.963
  170   2HD   ARG  41          1HD       ARG  41 -12.821  -0.326   9.272
  171    HE   ARG  41           HE       ARG  41 -13.182  -3.212   9.452
  172   1HH1  ARG  41          1HH1      ARG  41 -11.268  -0.422  10.392
  173   2HH1  ARG  41          2HH1      ARG  41 -10.674  -1.170  11.850
  174   1HH2  ARG  41          1HH2      ARG  41 -12.420  -4.177  11.381
  175   2HH2  ARG  41          2HH2      ARG  41 -11.353  -3.284  12.427
  176    H    SER  42           H        SER  42 -15.525  -0.540   4.378
  177    HA   SER  42           HA       SER  42 -15.137  -3.278   4.123
  178   1HB   SER  42          2HB       SER  42 -16.134  -1.406   1.959
  179   2HB   SER  42          1HB       SER  42 -16.453  -3.136   2.079
  180    HG   SER  42           HG       SER  42 -17.280  -1.129   3.923
  181    H    ARG  43           H        ARG  43 -13.864  -0.668   2.096
  182    HA   ARG  43           HA       ARG  43 -12.363  -2.434   0.413
  183   1HB   ARG  43          2HB       ARG  43 -13.230  -0.123  -0.210
  184   2HB   ARG  43          1HB       ARG  43 -11.921   0.531   0.763
  185   1HG   ARG  43          2HG       ARG  43 -10.355  -0.832  -0.722
  186   2HG   ARG  43          1HG       ARG  43 -11.747  -1.035  -1.792
  187   1HD   ARG  43          2HD       ARG  43 -11.980   1.491  -1.706
  188   2HD   ARG  43          1HD       ARG  43 -10.385   1.503  -0.960
  189    HE   ARG  43           HE       ARG  43  -9.690   0.271  -3.091
  190   1HH1  ARG  43          1HH1      ARG  43 -12.212   2.701  -2.941
  191   2HH1  ARG  43          2HH1      ARG  43 -11.984   3.210  -4.590
  192   1HH2  ARG  43          1HH2      ARG  43  -9.405   0.951  -5.287
  193   2HH2  ARG  43          2HH2      ARG  43 -10.406   2.234  -5.901
  194    H    ARG  44           H        ARG  44 -11.679  -0.410   3.216
  195    HA   ARG  44           HA       ARG  44  -8.869  -0.624   3.114
  196   1HB   ARG  44          2HB       ARG  44  -9.916   1.114   4.440
  197   2HB   ARG  44          1HB       ARG  44 -10.673  -0.088   5.471
  198   1HG   ARG  44          2HG       ARG  44  -8.849   0.741   6.685
  199   2HG   ARG  44          1HG       ARG  44  -8.364  -0.847   6.091
  200   1HD   ARG  44          2HD       ARG  44  -7.185   0.283   4.215
  201   2HD   ARG  44          1HD       ARG  44  -7.560   1.832   4.974
  202    HE   ARG  44           HE       ARG  44  -5.848  -0.260   6.160
  203   1HH1  ARG  44          1HH1      ARG  44  -6.780   3.095   5.802
  204   2HH1  ARG  44          2HH1      ARG  44  -5.540   3.683   6.863
  205   1HH2  ARG  44          1HH2      ARG  44  -4.204   0.526   7.561
  206   2HH2  ARG  44          2HH2      ARG  44  -4.102   2.241   7.876
  207    H    ALA  45           H        ALA  45 -11.141  -3.080   3.835
  208    HA   ALA  45           HA       ALA  45  -9.406  -4.254   5.868
  209   1HB   ALA  45          1HB       ALA  45 -12.150  -5.103   4.913
  210   2HB   ALA  45          2HB       ALA  45 -11.796  -4.250   6.417
  211   3HB   ALA  45          3HB       ALA  45 -11.217  -5.899   6.180
  212    H    PHE  46           H        PHE  46 -11.149  -4.982   2.920
  213    HA   PHE  46           HA       PHE  46  -9.823  -7.238   2.088
  214   1HB   PHE  46          2HB       PHE  46 -11.432  -7.064   0.561
  215   2HB   PHE  46          1HB       PHE  46 -11.749  -5.416   1.071
  216    HD1  PHE  46           1HD      PHE  46 -10.327  -7.549  -1.474
  217    HD2  PHE  46           2HD      PHE  46 -10.686  -3.530  -0.119
  218    HE1  PHE  46           1HE      PHE  46  -9.659  -6.738  -3.695
  219    HE2  PHE  46           2HE      PHE  46 -10.010  -2.718  -2.332
  220    HZ   PHE  46           HZ       PHE  46  -9.498  -4.321  -4.132
  221    H    LEU  47           H        LEU  47  -8.902  -3.824   1.439
  222    HA   LEU  47           HA       LEU  47  -6.743  -4.585  -0.275
  223   1HB   LEU  47          2HB       LEU  47  -6.191  -2.328  -0.417
  224   2HB   LEU  47          1HB       LEU  47  -7.929  -2.339  -0.214
  225    HG   LEU  47           HG       LEU  47  -7.260  -2.032   2.331
  226   1HD1  LEU  47          1HD1      LEU  47  -4.852  -2.110   1.959
  227   2HD1  LEU  47          2HD1      LEU  47  -5.338  -0.513   2.527
  228   3HD1  LEU  47          3HD1      LEU  47  -4.963  -0.768   0.821
  229   1HD2  LEU  47          1HD2      LEU  47  -7.222   0.206   0.311
  230   2HD2  LEU  47          2HD2      LEU  47  -7.632   0.342   2.021
  231   3HD2  LEU  47          3HD2      LEU  47  -8.678  -0.573   0.932
  232    H    THR  48           H        THR  48  -6.948  -3.798   3.175
  233    HA   THR  48           HA       THR  48  -4.157  -3.675   3.582
  234    HB   THR  48           HB       THR  48  -6.380  -4.242   5.549
  235    HG1  THR  48           1HG      THR  48  -6.722  -2.197   5.154
  236   1HG2  THR  48          1HG2      THR  48  -4.817  -3.562   7.283
  237   2HG2  THR  48          2HG2      THR  48  -3.538  -3.390   6.082
  238   3HG2  THR  48          3HG2      THR  48  -4.212  -4.981   6.428
  239    H    GLY  49           H        GLY  49  -6.517  -6.274   4.267
  240   1HA   GLY  49          2HA       GLY  49  -4.648  -8.234   4.976
  241   2HA   GLY  49          1HA       GLY  49  -6.251  -8.548   4.329
  242    H    LEU  50           H        LEU  50  -6.160  -7.615   1.830
  243    HA   LEU  50           HA       LEU  50  -4.766  -9.617   0.458
  244   1HB   LEU  50          2HB       LEU  50  -5.987  -7.069  -0.539
  245   2HB   LEU  50          1HB       LEU  50  -5.153  -8.168  -1.618
  246    HG   LEU  50           HG       LEU  50  -7.675  -8.672  -0.061
  247   1HD1  LEU  50          1HD1      LEU  50  -6.999  -8.819  -2.992
  248   2HD1  LEU  50          2HD1      LEU  50  -7.890  -7.523  -2.199
  249   3HD1  LEU  50          3HD1      LEU  50  -8.576  -9.144  -2.275
  250   1HD2  LEU  50          1HD2      LEU  50  -7.592 -10.970  -0.934
  251   2HD2  LEU  50          2HD2      LEU  50  -6.275 -10.635   0.190
  252   3HD2  LEU  50          3HD2      LEU  50  -5.967 -10.664  -1.546
  253    H    ALA  51           H        ALA  51  -3.920  -6.140   0.598
  254    HA   ALA  51           HA       ALA  51  -1.789  -6.301  -1.177
  255   1HB   ALA  51          1HB       ALA  51  -1.123  -4.158  -0.401
  256   2HB   ALA  51          2HB       ALA  51  -1.971  -4.385   1.128
  257   3HB   ALA  51          3HB       ALA  51  -2.886  -4.233  -0.374
  258    H    ARG  52           H        ARG  52  -1.748  -6.748   2.352
  259    HA   ARG  52           HA       ARG  52   1.068  -6.955   2.573
  260   1HB   ARG  52          2HB       ARG  52   0.644  -8.010   4.769
  261   2HB   ARG  52          1HB       ARG  52  -0.274  -6.529   4.551
  262   1HG   ARG  52          2HG       ARG  52  -2.275  -7.813   4.068
  263   2HG   ARG  52          1HG       ARG  52  -1.363  -9.314   4.209
  264   1HD   ARG  52          2HD       ARG  52  -1.615  -7.318   6.447
  265   2HD   ARG  52          1HD       ARG  52  -2.735  -8.659   6.223
  266    HE   ARG  52           HE       ARG  52   0.142  -9.178   6.520
  267   1HH1  ARG  52          1HH1      ARG  52  -3.144  -9.555   7.640
  268   2HH1  ARG  52          2HH1      ARG  52  -2.742 -10.739   8.850
  269   1HH2  ARG  52          1HH2      ARG  52   0.695 -10.739   8.118
  270   2HH2  ARG  52          2HH2      ARG  52  -0.564 -11.432   9.105
  271    H    SER  53           H        SER  53  -1.435  -9.251   1.770
  272    HA   SER  53           HA       SER  53   0.348 -11.522   1.861
  273   1HB   SER  53          2HB       SER  53  -2.080 -11.669   2.428
  274   2HB   SER  53          1HB       SER  53  -2.461 -11.310   0.747
  275    HG   SER  53           HG       SER  53  -0.707 -13.429   1.247
  276    H    LYS  54           H        LYS  54  -0.231  -9.043  -0.342
  277    HA   LYS  54           HA       LYS  54   0.301 -10.723  -2.678
  278   1HB   LYS  54          2HB       LYS  54  -0.310  -7.761  -2.586
  279   2HB   LYS  54          1HB       LYS  54  -0.196  -8.754  -4.030
  280   1HG   LYS  54          2HG       LYS  54  -2.272  -9.005  -1.863
  281   2HG   LYS  54          1HG       LYS  54  -2.506  -8.298  -3.461
  282   1HD   LYS  54          2HD       LYS  54  -2.004 -10.468  -4.482
  283   2HD   LYS  54          1HD       LYS  54  -1.797 -11.165  -2.874
  284   1HE   LYS  54          2HE       LYS  54  -4.112 -10.670  -2.337
  285   2HE   LYS  54          1HE       LYS  54  -4.332  -9.889  -3.899
  286   1HZ   LYS  54          1HZ       LYS  54  -5.244 -12.107  -3.917
  287   2HZ   LYS  54          2HZ       LYS  54  -3.757 -12.774  -3.451
  288   3HZ   LYS  54          3HZ       LYS  54  -3.915 -12.037  -4.969
  289    H    GLY  55           H        GLY  55   1.538  -7.658  -1.315
  290   1HA   GLY  55          2HA       GLY  55   4.168  -7.993  -1.310
  291   2HA   GLY  55          1HA       GLY  55   3.888  -7.896  -3.040
  292    H    PHE  56           H        PHE  56   2.667  -6.066  -0.209
  293    HA   PHE  56           HA       PHE  56   3.716  -3.636  -1.453
  294   1HB   PHE  56          2HB       PHE  56   0.833  -4.039  -0.635
  295   2HB   PHE  56          1HB       PHE  56   1.542  -2.479  -1.036
  296    HD1  PHE  56           1HD      PHE  56   2.523  -2.178  -3.359
  297    HD2  PHE  56           2HD      PHE  56  -0.010  -5.433  -2.298
  298    HE1  PHE  56           1HE      PHE  56   2.011  -2.549  -5.733
  299    HE2  PHE  56           2HE      PHE  56  -0.521  -5.808  -4.675
  300    HZ   PHE  56           HZ       PHE  56   0.550  -4.417  -6.398
  301    H    ARG  57           H        ARG  57   4.659  -2.323   0.003
  302    HA   ARG  57           HA       ARG  57   4.525  -3.187   2.783
  303   1HB   ARG  57          2HB       ARG  57   6.720  -2.780   1.575
  304   2HB   ARG  57          1HB       ARG  57   6.319  -1.073   1.639
  305   1HG   ARG  57          2HG       ARG  57   6.306  -2.635   4.165
  306   2HG   ARG  57          1HG       ARG  57   7.851  -2.164   3.456
  307   1HD   ARG  57          2HD       ARG  57   7.439   0.098   3.734
  308   2HD   ARG  57          1HD       ARG  57   5.692  -0.127   3.799
  309    HE   ARG  57           HE       ARG  57   5.935  -0.941   6.049
  310   1HH1  ARG  57          1HH1      ARG  57   8.839   0.451   4.679
  311   2HH1  ARG  57          2HH1      ARG  57   9.503   0.903   6.223
  312   1HH2  ARG  57          1HH2      ARG  57   6.800  -0.359   8.093
  313   2HH2  ARG  57          2HH2      ARG  57   8.349   0.440   8.162
  314    H    VAL  58           H        VAL  58   2.745  -2.325   3.688
  315    HA   VAL  58           HA       VAL  58   2.061   0.364   3.505
  316    HB   VAL  58           HB       VAL  58   1.498  -1.716   5.581
  317   1HG1  VAL  58          1HG1      VAL  58   0.163   0.966   5.189
  318   2HG1  VAL  58          2HG1      VAL  58   1.165   0.489   6.559
  319   3HG1  VAL  58          3HG1      VAL  58  -0.393  -0.292   6.291
  320   1HG2  VAL  58          1HG2      VAL  58  -0.147  -0.748   3.246
  321   2HG2  VAL  58          2HG2      VAL  58  -0.708  -1.884   4.473
  322   3HG2  VAL  58          3HG2      VAL  58   0.629  -2.324   3.410
  323    H    LEU  59           H        LEU  59   3.190   2.026   4.238
  324    HA   LEU  59           HA       LEU  59   5.358   1.776   6.075
  325   1HB   LEU  59          2HB       LEU  59   4.737   3.547   4.145
  326   2HB   LEU  59          1HB       LEU  59   4.164   4.437   5.541
  327    HG   LEU  59           HG       LEU  59   6.383   5.163   5.032
  328   1HD1  LEU  59          1HD1      LEU  59   5.892   5.026   7.396
  329   2HD1  LEU  59          2HD1      LEU  59   7.591   4.653   7.096
  330   3HD1  LEU  59          3HD1      LEU  59   6.447   3.351   7.436
  331   1HD2  LEU  59          1HD2      LEU  59   8.295   3.644   5.014
  332   2HD2  LEU  59          2HD2      LEU  59   7.136   3.267   3.742
  333   3HD2  LEU  59          3HD2      LEU  59   7.201   2.272   5.195
  334    H    ASP  60           H        ASP  60   4.973   1.358   8.138
  335    HA   ASP  60           HA       ASP  60   2.578   2.289   9.472
  336   1HB   ASP  60          2HB       ASP  60   3.613   0.997  11.416
  337   2HB   ASP  60          1HB       ASP  60   3.172   0.063   9.988
  338    H    ALA  61           H        ALA  61   4.255   4.415   8.706
  339    HA   ALA  61           HA       ALA  61   4.667   5.706  11.235
  340   1HB   ALA  61          1HB       ALA  61   7.050   6.158  10.970
  341   2HB   ALA  61          2HB       ALA  61   7.085   5.170   9.510
  342   3HB   ALA  61          3HB       ALA  61   6.752   4.423  11.073
  343    H    CYS  62           H        CYS  62   5.141   7.954  11.024
  344    HA   CYS  62           HA       CYS  62   4.145   9.122   8.578
  345   1HB   CYS  62          2HB       CYS  62   4.553  11.273   9.934
  346   2HB   CYS  62          1HB       CYS  62   3.327  10.160  10.528
  347    HG   CYS  62           HG       CYS  62   5.560  11.468  12.298
  348    H    SER  63           H        SER  63   6.249   7.959   7.681
  349    HA   SER  63           HA       SER  63   8.515   9.830   7.818
  350   1HB   SER  63          2HB       SER  63   8.953   7.520   8.636
  351   2HB   SER  63          1HB       SER  63   8.534   6.904   7.038
  352    HG   SER  63           HG       SER  63  10.804   8.281   7.901
  353    H    SER  64           H        SER  64   9.686  10.227   5.880
  354    HA   SER  64           HA       SER  64   7.997  10.751   3.647
  355   1HB   SER  64          2HB       SER  64  10.996  10.942   3.580
  356   2HB   SER  64          1HB       SER  64   9.798  11.988   2.815
  357    HG   SER  64           HG       SER  64  11.015  12.485   5.025
  358    H    GLU  65           H        GLU  65   9.662   8.024   4.611
  359    HA   GLU  65           HA       GLU  65  10.687   7.003   2.205
  360   1HB   GLU  65          2HB       GLU  65  11.182   6.146   4.508
  361   2HB   GLU  65          1HB       GLU  65   9.578   5.427   4.536
  362   1HG   GLU  65          2HG       GLU  65  10.158   3.998   2.669
  363   2HG   GLU  65          1HG       GLU  65  11.750   4.751   2.560
  364    H    ALA  66           H        ALA  66   7.462   7.185   3.463
  365    HA   ALA  66           HA       ALA  66   6.343   5.142   1.765
  366   1HB   ALA  66          1HB       ALA  66   4.988   7.299   3.383
  367   2HB   ALA  66          2HB       ALA  66   5.342   5.663   3.937
  368   3HB   ALA  66          3HB       ALA  66   4.191   5.920   2.624
  369    H    THR  67           H        THR  67   6.641   5.651  -0.407
  370    HA   THR  67           HA       THR  67   6.220   8.421  -1.230
  371    HB   THR  67           HB       THR  67   8.237   7.185  -1.957
  372    HG1  THR  67           1HG      THR  67   6.431   7.911  -4.043
  373   1HG2  THR  67          1HG2      THR  67   6.280   5.461  -3.485
  374   2HG2  THR  67          2HG2      THR  67   7.271   4.946  -2.124
  375   3HG2  THR  67          3HG2      THR  67   8.038   5.404  -3.643
  376    H    HIS  68           H        HIS  68   4.001   6.181  -0.729
  377    HA   HIS  68           HA       HIS  68   2.367   7.591  -2.742
  378   1HB   HIS  68          2HB       HIS  68   2.251   4.651  -2.052
  379   2HB   HIS  68          1HB       HIS  68   0.969   5.487  -2.914
  380    HD1  HIS  68           1HD      HIS  68   3.954   3.587  -3.477
  381    HD2  HIS  68           2HD      HIS  68   2.020   6.682  -5.451
  382    HE1  HIS  68           1HE      HIS  68   4.881   3.578  -5.813
  383    HE2  HIS  68           2HE      HIS  68   3.923   5.651  -6.869
  384    H    VAL  69           H        VAL  69   0.713   8.698  -1.854
  385    HA   VAL  69           HA       VAL  69  -0.444   7.579   0.611
  386    HB   VAL  69           HB       VAL  69  -0.607  10.382  -0.526
  387   1HG1  VAL  69          1HG1      VAL  69  -1.942  10.934   1.435
  388   2HG1  VAL  69          2HG1      VAL  69  -1.890   9.251   1.959
  389   3HG1  VAL  69          3HG1      VAL  69  -2.734   9.688   0.472
  390   1HG2  VAL  69          1HG2      VAL  69   0.643   9.335   2.022
  391   2HG2  VAL  69          2HG2      VAL  69   0.547  11.030   1.544
  392   3HG2  VAL  69          3HG2      VAL  69   1.516   9.900   0.592
  393    H    VAL  70           H        VAL  70  -2.227   6.444   0.243
  394    HA   VAL  70           HA       VAL  70  -3.858   7.008  -2.163
  395    HB   VAL  70           HB       VAL  70  -4.657   4.561  -1.633
  396   1HG1  VAL  70          1HG1      VAL  70  -1.998   5.136  -2.929
  397   2HG1  VAL  70          2HG1      VAL  70  -3.578   5.255  -3.702
  398   3HG1  VAL  70          3HG1      VAL  70  -2.973   3.687  -3.173
  399   1HG2  VAL  70          1HG2      VAL  70  -1.891   4.563  -0.442
  400   2HG2  VAL  70          2HG2      VAL  70  -2.853   3.127  -0.801
  401   3HG2  VAL  70          3HG2      VAL  70  -3.404   4.275   0.421
  402    H    MET  71           H        MET  71  -5.713   7.977  -1.636
  403    HA   MET  71           HA       MET  71  -6.939   7.313   0.952
  404   1HB   MET  71          2HB       MET  71  -7.231   9.866  -0.644
  405   2HB   MET  71          1HB       MET  71  -7.905   9.548   0.950
  406   1HG   MET  71          2HG       MET  71  -5.622   9.315   1.835
  407   2HG   MET  71          1HG       MET  71  -4.988   9.732   0.246
  408   1HE   MET  71          1HE       MET  71  -7.350  12.630   2.958
  409   2HE   MET  71          2HE       MET  71  -6.937  10.973   3.399
  410   3HE   MET  71          3HE       MET  71  -8.123  11.276   2.132
  411    H    GLU  72           H        GLU  72  -9.228   7.218   1.052
  412    HA   GLU  72           HA       GLU  72 -10.488   6.512  -1.520
  413   1HB   GLU  72          2HB       GLU  72 -10.349   4.535  -0.223
  414   2HB   GLU  72          1HB       GLU  72 -10.793   5.371   1.252
  415   1HG   GLU  72          2HG       GLU  72 -12.622   4.028   0.617
  416   2HG   GLU  72          1HG       GLU  72 -13.070   5.701   0.299
  417    H    GLU  73           H        GLU  73 -12.485   7.355  -1.986
  418    HA   GLU  73           HA       GLU  73 -14.121   8.941  -2.028
  419   1HB   GLU  73          2HB       GLU  73 -14.089   8.409   0.949
  420   2HB   GLU  73          1HB       GLU  73 -15.367   9.262   0.091
  421   1HG   GLU  73          2HG       GLU  73 -16.022   7.326  -1.071
  422   2HG   GLU  73          1HG       GLU  73 -14.554   6.464  -0.613
  423    H    THR  74           H        THR  74 -11.481   9.858  -1.953
  424    HA   THR  74           HA       THR  74 -11.756  12.442  -0.593
  425    HB   THR  74           HB       THR  74  -9.290  10.686  -0.701
  426    HG1  THR  74           1HG      THR  74 -10.963  10.220   0.919
  427   1HG2  THR  74          1HG2      THR  74  -8.687  13.029  -0.972
  428   2HG2  THR  74          2HG2      THR  74  -8.196  12.440   0.616
  429   3HG2  THR  74          3HG2      THR  74  -9.632  13.451   0.456
  430    H    SER  75           H        SER  75 -12.006  13.814  -2.336
  431    HA   SER  75           HA       SER  75 -10.858  13.395  -4.850
  432   1HB   SER  75          2HB       SER  75 -11.752  16.019  -3.642
  433   2HB   SER  75          1HB       SER  75 -11.690  15.592  -5.354
  434    HG   SER  75           HG       SER  75 -13.177  13.760  -4.479
  435    H    ALA  76           H        ALA  76  -9.511  15.330  -5.830
  436    HA   ALA  76           HA       ALA  76  -6.908  14.880  -4.969
  437   1HB   ALA  76          1HB       ALA  76  -6.233  16.590  -6.539
  438   2HB   ALA  76          2HB       ALA  76  -7.884  17.210  -6.611
  439   3HB   ALA  76          3HB       ALA  76  -7.516  15.601  -7.235
  440    H    GLU  77           H        GLU  77  -8.818  17.885  -4.577
  441    HA   GLU  77           HA       GLU  77  -6.851  19.342  -3.260
  442   1HB   GLU  77          2HB       GLU  77  -8.705  20.792  -2.500
  443   2HB   GLU  77          1HB       GLU  77  -8.777  20.415  -4.216
  444   1HG   GLU  77          2HG       GLU  77 -10.502  18.776  -3.815
  445   2HG   GLU  77          1HG       GLU  77 -10.387  19.051  -2.077
  446    H    GLU  78           H        GLU  78  -9.425  17.319  -1.870
  447    HA   GLU  78           HA       GLU  78  -8.958  17.737   0.811
  448   1HB   GLU  78          2HB       GLU  78  -9.756  15.222  -0.650
  449   2HB   GLU  78          1HB       GLU  78  -9.750  15.355   1.102
  450   1HG   GLU  78          2HG       GLU  78 -11.348  17.134  -0.715
  451   2HG   GLU  78          1HG       GLU  78 -11.973  15.674   0.054
  452    H    ALA  79           H        ALA  79  -7.450  15.265  -1.269
  453    HA   ALA  79           HA       ALA  79  -5.682  14.346   0.762
  454   1HB   ALA  79          1HB       ALA  79  -6.399  12.980  -1.171
  455   2HB   ALA  79          2HB       ALA  79  -4.648  13.026  -0.955
  456   3HB   ALA  79          3HB       ALA  79  -5.407  13.998  -2.219
  457    H    VAL  80           H        VAL  80  -5.542  16.921  -1.575
  458    HA   VAL  80           HA       VAL  80  -2.749  17.396  -1.525
  459    HB   VAL  80           HB       VAL  80  -5.124  19.147  -2.162
  460   1HG1  VAL  80          1HG1      VAL  80  -3.437  20.606  -1.177
  461   2HG1  VAL  80          2HG1      VAL  80  -3.586  20.889  -2.912
  462   3HG1  VAL  80          3HG1      VAL  80  -2.224  19.962  -2.282
  463   1HG2  VAL  80          1HG2      VAL  80  -4.186  19.073  -4.428
  464   2HG2  VAL  80          2HG2      VAL  80  -4.531  17.458  -3.807
  465   3HG2  VAL  80          3HG2      VAL  80  -2.871  18.053  -3.842
  466    H    SER  81           H        SER  81  -5.461  18.592   0.371
  467    HA   SER  81           HA       SER  81  -3.947  20.337   2.021
  468   1HB   SER  81          2HB       SER  81  -6.592  18.998   2.643
  469   2HB   SER  81          1HB       SER  81  -5.944  20.462   3.391
  470    HG   SER  81           HG       SER  81  -6.925  20.083   0.768
  471    H    TRP  82           H        TRP  82  -5.086  16.998   2.342
  472    HA   TRP  82           HA       TRP  82  -4.023  16.401   4.829
  473   1HB   TRP  82          2HB       TRP  82  -5.301  14.667   4.057
  474   2HB   TRP  82          1HB       TRP  82  -4.706  14.820   2.407
  475    HD1  TRP  82           HD       TRP  82  -2.875  13.186   1.658
  476    HE1  TRP  82           1HE      TRP  82  -1.482  11.368   2.806
  477    HE3  TRP  82           3HE      TRP  82  -4.187  14.091   6.521
  478    HZ2  TRP  82           2HZ      TRP  82  -0.995  10.425   5.413
  479    HZ3  TRP  82           3HZ      TRP  82  -3.207  12.673   8.282
  480    HH2  TRP  82           HH       TRP  82  -1.642  10.878   7.727
  481    H    GLN  83           H        GLN  83  -2.418  16.084   1.640
  482    HA   GLN  83           HA       GLN  83   0.025  15.119   2.578
  483   1HB   GLN  83          2HB       GLN  83  -0.603  15.182   0.195
  484   2HB   GLN  83          1HB       GLN  83  -0.438  16.932   0.204
  485   1HG   GLN  83          2HG       GLN  83   1.938  16.701   0.748
  486   2HG   GLN  83          1HG       GLN  83   1.769  14.948   0.712
  487   1HE2  GLN  83          1HE2      GLN  83   0.134  17.103  -1.491
  488   2HE2  GLN  83          2HE2      GLN  83   0.998  16.619  -2.912
  489    H    GLU  84           H        GLU  84  -1.029  18.470   2.085
  490    HA   GLU  84           HA       GLU  84   1.366  19.727   2.801
  491   1HB   GLU  84          2HB       GLU  84  -1.493  20.652   3.022
  492   2HB   GLU  84          1HB       GLU  84  -0.108  21.699   3.311
  493   1HG   GLU  84          2HG       GLU  84  -0.602  20.220   0.748
  494   2HG   GLU  84          1HG       GLU  84  -1.104  21.885   1.040
  495    H    ARG  85           H        ARG  85  -1.201  18.380   4.702
  496    HA   ARG  85           HA       ARG  85  -0.358  19.531   7.208
  497   1HB   ARG  85          2HB       ARG  85  -2.694  18.945   6.910
  498   2HB   ARG  85          1HB       ARG  85  -2.263  17.269   6.587
  499   1HG   ARG  85          2HG       ARG  85  -3.063  17.374   8.814
  500   2HG   ARG  85          1HG       ARG  85  -1.316  17.159   8.891
  501   1HD   ARG  85          2HD       ARG  85  -1.082  19.607   9.220
  502   2HD   ARG  85          1HD       ARG  85  -2.841  19.726   9.291
  503    HE   ARG  85           HE       ARG  85  -1.554  17.889  11.163
  504   1HH1  ARG  85          1HH1      ARG  85  -3.033  21.012  10.612
  505   2HH1  ARG  85          2HH1      ARG  85  -3.326  21.325  12.293
  506   1HH2  ARG  85          1HH2      ARG  85  -1.900  18.300  13.390
  507   2HH2  ARG  85          2HH2      ARG  85  -2.674  19.777  13.883
  508    H    ARG  86           H        ARG  86  -0.309  16.274   5.817
  509    HA   ARG  86           HA       ARG  86   1.066  14.941   7.811
  510   1HB   ARG  86          2HB       ARG  86   0.059  14.049   5.574
  511   2HB   ARG  86          1HB       ARG  86   1.675  14.323   4.936
  512   1HG   ARG  86          2HG       ARG  86   2.444  12.938   6.989
  513   2HG   ARG  86          1HG       ARG  86   0.768  12.388   7.022
  514   1HD   ARG  86          2HD       ARG  86   1.787  10.776   5.713
  515   2HD   ARG  86          1HD       ARG  86   1.158  11.891   4.500
  516    HE   ARG  86           HE       ARG  86   3.658  12.821   4.942
  517   1HH1  ARG  86          1HH1      ARG  86   2.406   9.657   4.127
  518   2HH1  ARG  86          2HH1      ARG  86   3.861   9.139   3.342
  519   1HH2  ARG  86          1HH2      ARG  86   5.582  12.144   3.920
  520   2HH2  ARG  86          2HH2      ARG  86   5.676  10.554   3.232
  521    H    MET  87           H        MET  87   2.421  16.735   5.058
  522    HA   MET  87           HA       MET  87   5.114  16.094   5.841
  523   1HB   MET  87          2HB       MET  87   4.180  18.093   3.779
  524   2HB   MET  87          1HB       MET  87   5.806  17.447   3.951
  525   1HG   MET  87          2HG       MET  87   3.329  16.016   3.050
  526   2HG   MET  87          1HG       MET  87   4.817  16.297   2.151
  527   1HE   MET  87          1HE       MET  87   7.029  15.576   4.400
  528   2HE   MET  87          2HE       MET  87   7.120  15.099   2.703
  529   3HE   MET  87          3HE       MET  87   7.327  13.891   3.971
  530    H    ALA  88           H        ALA  88   2.889  18.651   6.554
  531    HA   ALA  88           HA       ALA  88   4.852  20.554   7.393
  532   1HB   ALA  88          1HB       ALA  88   2.573  21.242   6.816
  533   2HB   ALA  88          2HB       ALA  88   3.002  21.731   8.456
  534   3HB   ALA  88          3HB       ALA  88   1.952  20.338   8.198
  535    H    ALA  89           H        ALA  89   3.369  17.773   8.792
  536    HA   ALA  89           HA       ALA  89   4.055  18.282  11.505
  537   1HB   ALA  89          1HB       ALA  89   3.620  15.646  10.095
  538   2HB   ALA  89          2HB       ALA  89   2.369  16.621  10.866
  539   3HB   ALA  89          3HB       ALA  89   3.646  15.895  11.841
  540    H    ALA  90           H        ALA  90   5.766  17.288   8.724
  541    HA   ALA  90           HA       ALA  90   8.100  16.406  10.259
  542   1HB   ALA  90          1HB       ALA  90   7.562  16.269   7.290
  543   2HB   ALA  90          2HB       ALA  90   7.332  14.946   8.436
  544   3HB   ALA  90          3HB       ALA  90   8.952  15.578   8.130
  545    HA   PRO  91           HA       PRO  91  10.250  20.213   9.351
  546   1HB   PRO  91          2HB       PRO  91  12.736  18.739   8.875
  547   2HB   PRO  91          1HB       PRO  91  12.328  19.839  10.193
  548   1HG   PRO  91          2HG       PRO  91  12.609  17.182  10.574
  549   2HG   PRO  91          1HG       PRO  91  11.460  18.158  11.508
  550   1HD   PRO  91          2HD       PRO  91  10.954  16.370   9.155
  551   2HD   PRO  91          1HD       PRO  91  10.014  16.556  10.653
  552    HA   PRO  92           HA       PRO  92  10.040  20.487   4.873
  553   1HB   PRO  92          2HB       PRO  92  11.630  22.938   5.492
  554   2HB   PRO  92          1HB       PRO  92  10.198  22.752   4.470
  555   1HG   PRO  92          2HG       PRO  92   9.968  23.823   6.883
  556   2HG   PRO  92          1HG       PRO  92   8.748  22.683   6.285
  557   1HD   PRO  92          2HD       PRO  92  10.940  22.242   8.265
  558   2HD   PRO  92          1HD       PRO  92   9.286  21.595   8.249
  559    H    GLY  93           H        GLY  93  11.352  19.751   3.319
  560   1HA   GLY  93          2HA       GLY  93  13.637  19.575   2.392
  561   2HA   GLY  93          1HA       GLY  93  14.197  19.394   4.053
  562    H    CYS  94           H        CYS  94  11.513  17.867   4.338
  563    HA   CYS  94           HA       CYS  94  12.552  15.231   3.967
  564   1HB   CYS  94          2HB       CYS  94  10.142  14.622   4.630
  565   2HB   CYS  94          1HB       CYS  94  11.110  15.493   5.816
  566    HG   CYS  94           HG       CYS  94   9.694  17.674   5.930
  567    H    THR  95           H        THR  95  11.886  13.681   2.482
  568    HA   THR  95           HA       THR  95  11.310  14.652  -0.118
  569    HB   THR  95           HB       THR  95  11.201  11.787   0.847
  570    HG1  THR  95           1HG      THR  95  13.240  12.394   1.311
  571   1HG2  THR  95          1HG2      THR  95  11.752  11.247  -1.478
  572   2HG2  THR  95          2HG2      THR  95  11.702  12.961  -1.893
  573   3HG2  THR  95          3HG2      THR  95  10.231  12.136  -1.377
  574    HA   PRO  96           HA       PRO  96   6.824  14.625   0.332
  575   1HB   PRO  96          2HB       PRO  96   6.919  15.436  -2.492
  576   2HB   PRO  96          1HB       PRO  96   6.232  16.288  -1.107
  577   1HG   PRO  96          2HG       PRO  96   8.472  17.131  -2.330
  578   2HG   PRO  96          1HG       PRO  96   8.224  17.324  -0.584
  579   1HD   PRO  96          2HD       PRO  96   9.856  15.290  -2.056
  580   2HD   PRO  96          1HD       PRO  96  10.231  16.166  -0.557
  581    HA   PRO  97           HA       PRO  97   6.307  10.551  -1.534
  582   1HB   PRO  97          2HB       PRO  97   3.703  10.308  -0.735
  583   2HB   PRO  97          1HB       PRO  97   5.084   9.958   0.311
  584   1HG   PRO  97          2HG       PRO  97   3.416  12.438   0.143
  585   2HG   PRO  97          1HG       PRO  97   3.992  11.569   1.582
  586   1HD   PRO  97          2HD       PRO  97   5.218  13.784   0.726
  587   2HD   PRO  97          1HD       PRO  97   6.139  12.416   1.392
  588    H    ALA  98           H        ALA  98   3.977   9.735  -2.553
  589    HA   ALA  98           HA       ALA  98   3.448  11.641  -4.721
  590   1HB   ALA  98          1HB       ALA  98   2.919   9.757  -6.140
  591   2HB   ALA  98          2HB       ALA  98   3.125   8.641  -4.791
  592   3HB   ALA  98          3HB       ALA  98   4.518   9.515  -5.434
  593    H    LEU  99           H        LEU  99   1.529  12.546  -4.627
  594    HA   LEU  99           HA       LEU  99  -0.534  11.485  -2.919
  595   1HB   LEU  99          2HB       LEU  99   0.101  13.999  -3.575
  596   2HB   LEU  99          1HB       LEU  99  -1.098  13.700  -4.819
  597    HG   LEU  99           HG       LEU  99  -2.797  13.241  -3.147
  598   1HD1  LEU  99          1HD1      LEU  99  -0.599  13.678  -1.131
  599   2HD1  LEU  99          2HD1      LEU  99  -1.419  12.154  -1.471
  600   3HD1  LEU  99          3HD1      LEU  99  -2.310  13.493  -0.753
  601   1HD2  LEU  99          1HD2      LEU  99  -2.561  15.546  -3.744
  602   2HD2  LEU  99          2HD2      LEU  99  -1.214  15.749  -2.626
  603   3HD2  LEU  99          3HD2      LEU  99  -2.838  15.453  -2.007
  604    H    LEU 100           H        LEU 100  -2.854  11.273  -4.034
  605    HA   LEU 100           HA       LEU 100  -3.374  10.142  -6.199
  606   1HB   LEU 100          2HB       LEU 100  -2.602   7.589  -5.842
  607   2HB   LEU 100          1HB       LEU 100  -1.810   8.749  -6.883
  608    HG   LEU 100           HG       LEU 100  -0.520   9.105  -4.468
  609   1HD1  LEU 100          1HD1      LEU 100  -1.577   7.104  -3.547
  610   2HD1  LEU 100          2HD1      LEU 100   0.162   6.893  -3.758
  611   3HD1  LEU 100          3HD1      LEU 100  -0.962   6.158  -4.904
  612   1HD2  LEU 100          1HD2      LEU 100   1.335   7.992  -5.625
  613   2HD2  LEU 100          2HD2      LEU 100   0.473   9.108  -6.683
  614   3HD2  LEU 100          3HD2      LEU 100   0.203   7.369  -6.824
  615    H    ASP 101           H        ASP 101  -5.185   8.761  -6.269
  616    HA   ASP 101           HA       ASP 101  -6.286   8.173  -3.674
  617   1HB   ASP 101          2HB       ASP 101  -8.341   8.032  -4.732
  618   2HB   ASP 101          1HB       ASP 101  -7.482   9.148  -5.787
  619    H    ILE 102           H        ILE 102  -7.557   6.154  -3.487
  620    HA   ILE 102           HA       ILE 102  -5.644   4.117  -3.070
  621    HB   ILE 102           HB       ILE 102  -7.413   4.492  -1.499
  622   1HG1  ILE 102          2HG1      ILE 102  -8.411   2.198  -1.297
  623   2HG1  ILE 102          1HG1      ILE 102  -7.706   1.810  -2.863
  624   1HG2  ILE 102          1HG2      ILE 102  -9.324   3.723  -3.690
  625   2HG2  ILE 102          2HG2      ILE 102  -9.104   5.334  -3.004
  626   3HG2  ILE 102          3HG2      ILE 102  -9.757   4.032  -2.009
  627   1HD1  ILE 102          1HD1      ILE 102  -5.476   2.273  -1.928
  628   2HD1  ILE 102          2HD1      ILE 102  -6.318   0.952  -1.118
  629   3HD1  ILE 102          3HD1      ILE 102  -6.225   2.541  -0.353
  630    H    SER 103           H        SER 103  -7.257   4.843  -5.862
  631    HA   SER 103           HA       SER 103  -8.079   2.251  -6.722
  632   1HB   SER 103          2HB       SER 103  -8.989   4.360  -7.662
  633   2HB   SER 103          1HB       SER 103  -7.435   4.658  -8.435
  634    HG   SER 103           HG       SER 103  -9.381   3.402  -9.507
  635    H    TRP 104           H        TRP 104  -5.072   4.072  -7.026
  636    HA   TRP 104           HA       TRP 104  -3.681   2.470  -8.831
  637   1HB   TRP 104          2HB       TRP 104  -2.522   4.387  -8.141
  638   2HB   TRP 104          1HB       TRP 104  -2.833   4.082  -6.436
  639    HD1  TRP 104           HD       TRP 104  -0.448   3.036  -9.268
  640    HE1  TRP 104           1HE      TRP 104   1.612   1.888  -8.222
  641    HE3  TRP 104           3HE      TRP 104  -2.026   2.796  -4.416
  642    HZ2  TRP 104           2HZ      TRP 104   2.455   1.023  -5.671
  643    HZ3  TRP 104           3HZ      TRP 104  -0.553   1.784  -2.727
  644    HH2  TRP 104           HH       TRP 104   1.650   0.922  -3.353
  645    H    LEU 105           H        LEU 105  -4.284   2.028  -5.441
  646    HA   LEU 105           HA       LEU 105  -2.504  -0.183  -5.113
  647   1HB   LEU 105          2HB       LEU 105  -3.205   1.308  -3.253
  648   2HB   LEU 105          1HB       LEU 105  -4.806   0.596  -3.329
  649    HG   LEU 105           HG       LEU 105  -3.918  -1.573  -2.690
  650   1HD1  LEU 105          1HD1      LEU 105  -1.573  -1.852  -2.072
  651   2HD1  LEU 105          2HD1      LEU 105  -1.230  -0.202  -2.592
  652   3HD1  LEU 105          3HD1      LEU 105  -1.734  -1.412  -3.771
  653   1HD2  LEU 105          1HD2      LEU 105  -3.188  -1.029  -0.415
  654   2HD2  LEU 105          2HD2      LEU 105  -4.569  -0.049  -0.916
  655   3HD2  LEU 105          3HD2      LEU 105  -2.948   0.650  -0.900
  656    H    THR 106           H        THR 106  -6.055   0.029  -5.286
  657    HA   THR 106           HA       THR 106  -6.521  -2.713  -5.213
  658    HB   THR 106           HB       THR 106  -8.695  -2.036  -6.479
  659    HG1  THR 106           1HG      THR 106  -8.425  -0.045  -7.249
  660   1HG2  THR 106          1HG2      THR 106  -9.614  -1.128  -4.387
  661   2HG2  THR 106          2HG2      THR 106  -7.975  -0.879  -3.782
  662   3HG2  THR 106          3HG2      THR 106  -8.564  -2.514  -4.087
  663    H    GLU 107           H        GLU 107  -5.779  -0.644  -8.000
  664    HA   GLU 107           HA       GLU 107  -6.214  -2.728  -9.908
  665   1HB   GLU 107          2HB       GLU 107  -4.745  -0.109 -10.065
  666   2HB   GLU 107          1HB       GLU 107  -4.694  -1.266 -11.389
  667   1HG   GLU 107          2HG       GLU 107  -7.354  -1.131 -10.952
  668   2HG   GLU 107          1HG       GLU 107  -6.865   0.501 -10.495
  669    H    SER 108           H        SER 108  -3.403  -1.546  -8.136
  670    HA   SER 108           HA       SER 108  -1.498  -3.269  -9.230
  671   1HB   SER 108          2HB       SER 108  -1.689  -2.157  -6.420
  672   2HB   SER 108          1HB       SER 108  -0.256  -2.929  -7.100
  673    HG   SER 108           HG       SER 108  -1.496  -0.503  -7.890
  674    H    LEU 109           H        LEU 109  -3.696  -3.754  -6.455
  675    HA   LEU 109           HA       LEU 109  -2.972  -6.387  -5.838
  676   1HB   LEU 109          2HB       LEU 109  -5.622  -4.999  -5.578
  677   2HB   LEU 109          1HB       LEU 109  -5.251  -6.563  -4.873
  678    HG   LEU 109           HG       LEU 109  -4.052  -3.893  -4.159
  679   1HD1  LEU 109          1HD1      LEU 109  -4.887  -4.510  -1.933
  680   2HD1  LEU 109          2HD1      LEU 109  -5.587  -5.970  -2.631
  681   3HD1  LEU 109          3HD1      LEU 109  -6.175  -4.387  -3.133
  682   1HD2  LEU 109          1HD2      LEU 109  -2.616  -5.081  -2.593
  683   2HD2  LEU 109          2HD2      LEU 109  -2.266  -5.570  -4.252
  684   3HD2  LEU 109          3HD2      LEU 109  -3.210  -6.626  -3.201
  685    H    GLY 110           H        GLY 110  -4.569  -5.153  -8.560
  686   1HA   GLY 110          2HA       GLY 110  -6.001  -7.635  -9.163
  687   2HA   GLY 110          1HA       GLY 110  -6.067  -6.145 -10.097
  688    H    ALA 111           H        ALA 111  -3.277  -5.717 -10.317
  689    HA   ALA 111           HA       ALA 111  -2.672  -7.569 -12.451
  690   1HB   ALA 111          1HB       ALA 111  -0.781  -6.111 -12.912
  691   2HB   ALA 111          2HB       ALA 111  -1.060  -5.242 -11.400
  692   3HB   ALA 111          3HB       ALA 111  -2.253  -5.162 -12.699
  693    H    GLY 112           H        GLY 112  -1.631  -7.013  -9.165
  694   1HA   GLY 112          2HA       GLY 112  -0.694  -8.788  -7.873
  695   2HA   GLY 112          1HA       GLY 112  -0.039  -9.478  -9.349
  696    H    GLN 113           H        GLN 113   0.369  -6.132  -9.159
  697    HA   GLN 113           HA       GLN 113   2.758  -6.038  -7.609
  698   1HB   GLN 113          2HB       GLN 113   4.353  -5.622  -9.380
  699   2HB   GLN 113          1HB       GLN 113   3.596  -7.185  -9.660
  700   1HG   GLN 113          2HG       GLN 113   2.221  -6.284 -11.391
  701   2HG   GLN 113          1HG       GLN 113   2.745  -4.640 -11.021
  702   1HE2  GLN 113          1HE2      GLN 113   4.799  -3.978 -11.634
  703   2HE2  GLN 113          2HE2      GLN 113   5.748  -4.854 -12.787
  704    HA   PRO 114           HA       PRO 114   1.736  -1.734  -7.603
  705   1HB   PRO 114          2HB       PRO 114   4.197  -0.524  -7.796
  706   2HB   PRO 114          1HB       PRO 114   3.538  -1.205  -6.305
  707   1HG   PRO 114          2HG       PRO 114   5.499  -2.389  -8.226
  708   2HG   PRO 114          1HG       PRO 114   5.491  -2.443  -6.455
  709   1HD   PRO 114          2HD       PRO 114   4.691  -4.535  -7.945
  710   2HD   PRO 114          1HD       PRO 114   3.930  -4.147  -6.387
  711    H    VAL 115           H        VAL 115   0.685  -1.070  -9.358
  712    HA   VAL 115           HA       VAL 115   1.829  -1.122 -11.986
  713    HB   VAL 115           HB       VAL 115  -0.275  -0.086 -12.718
  714   1HG1  VAL 115          1HG1      VAL 115  -0.190  -2.498 -12.455
  715   2HG1  VAL 115          2HG1      VAL 115  -1.791  -1.888 -12.035
  716   3HG1  VAL 115          3HG1      VAL 115  -0.659  -2.349 -10.761
  717   1HG2  VAL 115          1HG2      VAL 115  -0.956   0.016  -9.780
  718   2HG2  VAL 115          2HG2      VAL 115  -2.067   0.362 -11.105
  719   3HG2  VAL 115          3HG2      VAL 115  -0.669   1.401 -10.832
  720    HA   PRO 116           HA       PRO 116   3.558   2.949 -12.222
  721   1HB   PRO 116          2HB       PRO 116   3.010   3.583 -14.818
  722   2HB   PRO 116          1HB       PRO 116   4.286   2.456 -14.343
  723   1HG   PRO 116          2HG       PRO 116   1.518   1.885 -15.315
  724   2HG   PRO 116          1HG       PRO 116   3.041   1.081 -15.740
  725   1HD   PRO 116          2HD       PRO 116   1.290   0.025 -13.973
  726   2HD   PRO 116          1HD       PRO 116   3.043  -0.199 -13.818
  727    H    VAL 117           H        VAL 117   2.646   4.623 -11.243
  728    HA   VAL 117           HA       VAL 117  -0.158   5.167 -11.559
  729    HB   VAL 117           HB       VAL 117   0.739   5.334  -9.338
  730   1HG1  VAL 117          1HG1      VAL 117   3.051   5.884  -9.873
  731   2HG1  VAL 117          2HG1      VAL 117   2.392   7.007  -8.684
  732   3HG1  VAL 117          3HG1      VAL 117   2.560   7.503 -10.369
  733   1HG2  VAL 117          1HG2      VAL 117   0.025   8.051 -10.427
  734   2HG2  VAL 117          2HG2      VAL 117   0.019   7.608  -8.721
  735   3HG2  VAL 117          3HG2      VAL 117  -1.095   6.822  -9.841
  736    H    GLU 118           H        GLU 118  -0.923   6.315 -13.164
  737    HA   GLU 118           HA       GLU 118   0.651   8.323 -14.528
  738   1HB   GLU 118          2HB       GLU 118  -2.239   7.474 -14.822
  739   2HB   GLU 118          1HB       GLU 118  -1.435   8.645 -15.858
  740   1HG   GLU 118          2HG       GLU 118  -0.028   7.016 -16.790
  741   2HG   GLU 118          1HG       GLU 118  -0.423   5.842 -15.534
  742    H    CYS 119           H        CYS 119  -0.408  10.516 -14.910
  743    HA   CYS 119           HA       CYS 119  -0.776  11.869 -12.479
  744   1HB   CYS 119          2HB       CYS 119  -1.608  12.768 -15.245
  745   2HB   CYS 119          1HB       CYS 119  -1.378  13.808 -13.842
  746    HG   CYS 119           HG       CYS 119   0.782  13.037 -16.105
  747    H    ARG 120           H        ARG 120  -2.983  10.149 -14.472
  748    HA   ARG 120           HA       ARG 120  -5.435  11.247 -13.738
  749   1HB   ARG 120          2HB       ARG 120  -4.816   8.316 -14.146
  750   2HB   ARG 120          1HB       ARG 120  -6.402   9.065 -14.245
  751   1HG   ARG 120          2HG       ARG 120  -4.079   9.581 -16.089
  752   2HG   ARG 120          1HG       ARG 120  -5.505   8.610 -16.452
  753   1HD   ARG 120          2HD       ARG 120  -6.903  10.634 -16.123
  754   2HD   ARG 120          1HD       ARG 120  -5.426  11.573 -15.902
  755    HE   ARG 120           HE       ARG 120  -5.623  10.050 -18.369
  756   1HH1  ARG 120          1HH1      ARG 120  -6.003  13.145 -16.779
  757   2HH1  ARG 120          2HH1      ARG 120  -5.970  14.057 -18.255
  758   1HH2  ARG 120          1HH2      ARG 120  -5.576  11.235 -20.314
  759   2HH2  ARG 120          2HH2      ARG 120  -5.770  12.964 -20.275
  760    H    HIS 121           H        HIS 121  -3.352   8.977 -12.008
  761    HA   HIS 121           HA       HIS 121  -5.288   8.892  -9.810
  762   1HB   HIS 121          2HB       HIS 121  -2.885   7.197 -10.445
  763   2HB   HIS 121          1HB       HIS 121  -3.685   7.141  -8.874
  764    HD1  HIS 121           1HD      HIS 121  -6.408   6.644  -9.086
  765    HD2  HIS 121           2HD      HIS 121  -3.942   5.484 -12.242
  766    HE1  HIS 121           1HE      HIS 121  -7.741   4.985 -10.431
  767    HE2  HIS 121           2HE      HIS 121  -6.304   4.421 -12.417
  768    H    ARG 122           H        ARG 122  -2.092   9.993 -10.646
  769    HA   ARG 122           HA       ARG 122  -1.473  10.972  -8.007
  770   1HB   ARG 122          2HB       ARG 122   0.197  10.346  -9.900
  771   2HB   ARG 122          1HB       ARG 122  -0.176  11.936 -10.550
  772   1HG   ARG 122          2HG       ARG 122   0.418  12.740  -8.131
  773   2HG   ARG 122          1HG       ARG 122   1.280  11.202  -8.055
  774   1HD   ARG 122          2HD       ARG 122   2.801  12.914  -8.787
  775   2HD   ARG 122          1HD       ARG 122   2.471  11.830 -10.139
  776    HE   ARG 122           HE       ARG 122   0.690  14.042 -10.139
  777   1HH1  ARG 122          1HH1      ARG 122   4.007  13.176 -10.874
  778   2HH1  ARG 122          2HH1      ARG 122   4.183  14.396 -12.098
  779   1HH2  ARG 122          1HH2      ARG 122   0.920  15.663 -11.723
  780   2HH2  ARG 122          2HH2      ARG 122   2.418  15.803 -12.603
  781    H    LEU 123           H        LEU 123  -4.008  11.773  -8.895
  782    HA   LEU 123           HA       LEU 123  -4.095  14.005 -10.576
  783   1HB   LEU 123          2HB       LEU 123  -6.413  14.019 -10.227
  784   2HB   LEU 123          1HB       LEU 123  -5.915  12.343 -10.145
  785    HG   LEU 123           HG       LEU 123  -6.501  14.067  -7.725
  786   1HD1  LEU 123          1HD1      LEU 123  -8.210  11.976  -9.064
  787   2HD1  LEU 123          2HD1      LEU 123  -8.508  13.713  -9.058
  788   3HD1  LEU 123          3HD1      LEU 123  -8.579  12.802  -7.550
  789   1HD2  LEU 123          1HD2      LEU 123  -6.123  11.082  -7.963
  790   2HD2  LEU 123          2HD2      LEU 123  -6.521  11.970  -6.492
  791   3HD2  LEU 123          3HD2      LEU 123  -4.957  12.211  -7.273
  792    H    GLU 124           H        GLU 124  -2.623  14.340  -7.770
  793    HA   GLU 124           HA       GLU 124  -3.916  16.494  -6.517
  794   1HB   GLU 124          2HB       GLU 124  -1.724  17.140  -5.619
  795   2HB   GLU 124          1HB       GLU 124  -2.019  15.420  -5.450
  796   1HG   GLU 124          2HG       GLU 124  -0.343  14.846  -6.849
  797   2HG   GLU 124          1HG       GLU 124  -0.513  16.298  -7.839
  Start of MODEL    5
    1   1H    GLY  20          1HT       GLY  20  -6.172  -3.916  16.975
    2   2H    GLY  20          2HT       GLY  20  -5.807  -3.314  18.517
    3   3H    GLY  20          3HT       GLY  20  -5.591  -4.961  18.179
    4   1HA   GLY  20          1HA       GLY  20  -4.083  -2.735  16.929
    5   2HA   GLY  20          2HA       GLY  20  -3.480  -3.777  18.212
    6    H    THR  21           H        THR  21  -3.795  -3.344  14.883
    7    HA   THR  21           HA       THR  21  -3.170  -6.132  14.277
    8    HB   THR  21           HB       THR  21  -3.197  -5.278  11.881
    9    HG1  THR  21           1HG      THR  21  -2.913  -3.031  12.517
   10   1HG2  THR  21          1HG2      THR  21  -5.110  -6.454  12.863
   11   2HG2  THR  21          2HG2      THR  21  -5.648  -5.177  11.773
   12   3HG2  THR  21          3HG2      THR  21  -5.717  -4.933  13.517
   13    HA   PRO  22           HA       PRO  22   1.171  -5.117  14.600
   14   1HB   PRO  22          2HB       PRO  22   2.054  -7.450  13.417
   15   2HB   PRO  22          1HB       PRO  22   1.635  -7.291  15.124
   16   1HG   PRO  22          2HG       PRO  22   0.013  -8.385  12.866
   17   2HG   PRO  22          1HG       PRO  22   0.152  -8.966  14.536
   18   1HD   PRO  22          2HD       PRO  22  -1.976  -7.553  13.699
   19   2HD   PRO  22          1HD       PRO  22  -1.328  -7.382  15.343
   20    HA   PRO  23           HA       PRO  23   2.123  -3.522  10.574
   21   1HB   PRO  23          2HB       PRO  23   4.964  -3.689  11.290
   22   2HB   PRO  23          1HB       PRO  23   3.967  -2.263  10.996
   23   1HG   PRO  23          2HG       PRO  23   4.843  -2.900  13.460
   24   2HG   PRO  23          1HG       PRO  23   3.264  -2.139  13.191
   25   1HD   PRO  23          2HD       PRO  23   3.916  -5.019  13.706
   26   2HD   PRO  23          1HD       PRO  23   2.605  -4.026  14.380
   27    H    SER  24           H        SER  24   1.514  -5.990  10.115
   28    HA   SER  24           HA       SER  24   3.634  -7.663   9.215
   29   1HB   SER  24          2HB       SER  24   0.706  -7.715   8.436
   30   2HB   SER  24          1HB       SER  24   1.860  -9.045   8.295
   31    HG   SER  24           HG       SER  24   2.093  -8.762  10.682
   32    H    THR  25           H        THR  25   4.940  -6.654   7.744
   33    HA   THR  25           HA       THR  25   3.652  -5.738   5.254
   34    HB   THR  25           HB       THR  25   5.324  -4.105   4.948
   35    HG1  THR  25           1HG      THR  25   6.804  -5.068   7.179
   36   1HG2  THR  25          1HG2      THR  25   5.408  -2.808   7.031
   37   2HG2  THR  25          2HG2      THR  25   4.767  -4.199   7.908
   38   3HG2  THR  25          3HG2      THR  25   3.789  -3.408   6.670
   39    H    ARG  26           H        ARG  26   4.877  -6.236   3.249
   40    HA   ARG  26           HA       ARG  26   6.448  -8.694   3.637
   41   1HB   ARG  26          2HB       ARG  26   4.045  -8.553   2.394
   42   2HB   ARG  26          1HB       ARG  26   5.121  -8.307   1.023
   43   1HG   ARG  26          2HG       ARG  26   5.320 -10.618   2.946
   44   2HG   ARG  26          1HG       ARG  26   4.478 -10.675   1.398
   45   1HD   ARG  26          2HD       ARG  26   6.443 -10.521   0.177
   46   2HD   ARG  26          1HD       ARG  26   7.333  -9.799   1.517
   47    HE   ARG  26           HE       ARG  26   7.024 -12.125   2.570
   48   1HH1  ARG  26          1HH1      ARG  26   7.365 -11.576  -0.877
   49   2HH1  ARG  26          2HH1      ARG  26   8.248 -13.050  -1.142
   50   1HH2  ARG  26          1HH2      ARG  26   8.159 -14.060   2.216
   51   2HH2  ARG  26          2HH2      ARG  26   8.695 -14.468   0.616
   52    H    PHE  27           H        PHE  27   5.947  -6.653   0.757
   53    HA   PHE  27           HA       PHE  27   8.838  -6.788   0.310
   54   1HB   PHE  27          2HB       PHE  27   7.368  -7.518  -1.522
   55   2HB   PHE  27          1HB       PHE  27   6.602  -5.935  -1.544
   56    HD1  PHE  27           1HD      PHE  27   9.917  -7.576  -1.965
   57    HD2  PHE  27           2HD      PHE  27   7.403  -4.290  -2.958
   58    HE1  PHE  27           1HE      PHE  27  11.590  -6.793  -3.585
   59    HE2  PHE  27           2HE      PHE  27   9.075  -3.500  -4.580
   60    HZ   PHE  27           HZ       PHE  27  11.155  -4.773  -4.924
   61    HA   PRO  28           HA       PRO  28   8.713  -2.662   2.004
   62   1HB   PRO  28          2HB       PRO  28  11.595  -2.702   2.060
   63   2HB   PRO  28          1HB       PRO  28  10.457  -2.802   3.408
   64   1HG   PRO  28          2HG       PRO  28  12.064  -4.872   2.577
   65   2HG   PRO  28          1HG       PRO  28  10.546  -5.077   3.464
   66   1HD   PRO  28          2HD       PRO  28  11.101  -5.395   0.550
   67   2HD   PRO  28          1HD       PRO  28  10.012  -6.325   1.603
   68    H    GLY  29           H        GLY  29  10.172  -3.650  -0.929
   69   1HA   GLY  29          2HA       GLY  29  11.364  -1.269  -1.810
   70   2HA   GLY  29          1HA       GLY  29  10.684  -2.506  -2.856
   71    H    VAL  30           H        VAL  30   8.032  -2.180  -1.578
   72    HA   VAL  30           HA       VAL  30   7.316   0.523  -2.494
   73    HB   VAL  30           HB       VAL  30   5.671  -1.980  -2.969
   74   1HG1  VAL  30          1HG1      VAL  30   4.214  -0.149  -2.334
   75   2HG1  VAL  30          2HG1      VAL  30   4.057  -0.458  -4.065
   76   3HG1  VAL  30          3HG1      VAL  30   5.002   0.918  -3.498
   77   1HG2  VAL  30          1HG2      VAL  30   7.435  -1.731  -4.608
   78   2HG2  VAL  30          2HG2      VAL  30   6.987  -0.045  -4.879
   79   3HG2  VAL  30          3HG2      VAL  30   5.883  -1.338  -5.354
   80    H    ALA  31           H        ALA  31   6.748   1.612  -0.749
   81    HA   ALA  31           HA       ALA  31   5.264   0.220   1.370
   82   1HB   ALA  31          1HB       ALA  31   6.820   2.800   1.483
   83   2HB   ALA  31          2HB       ALA  31   7.299   1.244   2.169
   84   3HB   ALA  31          3HB       ALA  31   5.905   2.103   2.820
   85    H    ILE  32           H        ILE  32   3.415   1.366   2.302
   86    HA   ILE  32           HA       ILE  32   2.090   2.985   0.256
   87    HB   ILE  32           HB       ILE  32   0.787   0.593   1.568
   88   1HG1  ILE  32          2HG1      ILE  32   1.934   0.877  -1.229
   89   2HG1  ILE  32          1HG1      ILE  32   2.614  -0.113   0.056
   90   1HG2  ILE  32          1HG2      ILE  32  -0.071   2.358  -0.718
   91   2HG2  ILE  32          2HG2      ILE  32  -0.758   2.337   0.906
   92   3HG2  ILE  32          3HG2      ILE  32  -0.930   0.929  -0.140
   93   1HD1  ILE  32          1HD1      ILE  32   0.623  -1.510   0.028
   94   2HD1  ILE  32          2HD1      ILE  32   1.404  -1.449  -1.553
   95   3HD1  ILE  32          3HD1      ILE  32  -0.060  -0.511  -1.255
   96    H    TYR  33           H        TYR  33   0.880   4.538   1.022
   97    HA   TYR  33           HA       TYR  33   0.548   4.701   3.952
   98   1HB   TYR  33          2HB       TYR  33   2.045   6.406   2.574
   99   2HB   TYR  33          1HB       TYR  33   0.487   7.153   2.240
  100    HD1  TYR  33           1HD      TYR  33  -0.897   8.008   4.167
  101    HD2  TYR  33           2HD      TYR  33   3.101   6.642   4.673
  102    HE1  TYR  33           1HE      TYR  33  -0.767   9.189   6.325
  103    HE2  TYR  33           2HE      TYR  33   3.239   7.816   6.827
  104    HH   TYR  33           HH       TYR  33   2.211   9.628   7.995
  105    H    LEU  34           H        LEU  34  -1.515   4.565   4.591
  106    HA   LEU  34           HA       LEU  34  -3.583   4.993   2.544
  107   1HB   LEU  34          2HB       LEU  34  -3.877   3.234   4.988
  108   2HB   LEU  34          1HB       LEU  34  -4.992   3.392   3.646
  109    HG   LEU  34           HG       LEU  34  -3.917   1.256   3.514
  110   1HD1  LEU  34          1HD1      LEU  34  -2.894   1.354   1.308
  111   2HD1  LEU  34          2HD1      LEU  34  -2.820   3.113   1.433
  112   3HD1  LEU  34          3HD1      LEU  34  -4.385   2.293   1.410
  113   1HD2  LEU  34          1HD2      LEU  34  -1.510   0.978   3.253
  114   2HD2  LEU  34          2HD2      LEU  34  -1.930   1.677   4.817
  115   3HD2  LEU  34          3HD2      LEU  34  -1.284   2.703   3.538
  116    H    VAL  35           H        VAL  35  -4.624   6.847   2.934
  117    HA   VAL  35           HA       VAL  35  -4.494   8.158   5.467
  118    HB   VAL  35           HB       VAL  35  -6.475   8.770   3.294
  119   1HG1  VAL  35          1HG1      VAL  35  -6.257  11.073   4.123
  120   2HG1  VAL  35          2HG1      VAL  35  -5.149  10.502   5.372
  121   3HG1  VAL  35          3HG1      VAL  35  -6.831   9.963   5.369
  122   1HG2  VAL  35          1HG2      VAL  35  -3.644   9.789   3.458
  123   2HG2  VAL  35          2HG2      VAL  35  -4.851  10.216   2.238
  124   3HG2  VAL  35          3HG2      VAL  35  -4.215   8.570   2.320
  125    H    GLU  36           H        GLU  36  -5.308   6.554   6.864
  126    HA   GLU  36           HA       GLU  36  -7.743   5.242   6.626
  127   1HB   GLU  36          2HB       GLU  36  -6.202   5.941   9.117
  128   2HB   GLU  36          1HB       GLU  36  -7.554   4.819   9.065
  129   1HG   GLU  36          2HG       GLU  36  -6.273   3.487   7.384
  130   2HG   GLU  36          1HG       GLU  36  -4.896   4.544   7.692
  131    HA   PRO  37           HA       PRO  37  -9.763   8.928   9.205
  132   1HB   PRO  37          2HB       PRO  37  -8.119  11.108   8.026
  133   2HB   PRO  37          1HB       PRO  37  -8.801  10.965   9.650
  134   1HG   PRO  37          2HG       PRO  37  -6.205  10.603   9.252
  135   2HG   PRO  37          1HG       PRO  37  -7.099   9.570  10.384
  136   1HD   PRO  37          2HD       PRO  37  -6.182   8.976   7.594
  137   2HD   PRO  37          1HD       PRO  37  -6.172   7.931   9.031
  138    H    ARG  38           H        ARG  38  -8.755   8.416   6.049
  139    HA   ARG  38           HA       ARG  38 -11.204   9.594   4.971
  140   1HB   ARG  38          2HB       ARG  38  -9.283  11.192   4.637
  141   2HB   ARG  38          1HB       ARG  38  -8.480   9.947   3.693
  142   1HG   ARG  38          2HG       ARG  38  -9.504  11.491   2.204
  143   2HG   ARG  38          1HG       ARG  38 -10.395   9.972   2.129
  144   1HD   ARG  38          2HD       ARG  38 -11.996  11.717   2.176
  145   2HD   ARG  38          1HD       ARG  38 -12.014  10.954   3.764
  146    HE   ARG  38           HE       ARG  38 -10.423  13.385   3.348
  147   1HH1  ARG  38          1HH1      ARG  38 -13.084  11.732   4.904
  148   2HH1  ARG  38          2HH1      ARG  38 -13.441  13.052   5.981
  149   1HH2  ARG  38          1HH2      ARG  38 -10.864  15.114   4.765
  150   2HH2  ARG  38          2HH2      ARG  38 -12.159  14.973   5.923
  151    H    MET  39           H        MET  39 -10.816   6.978   5.628
  152    HA   MET  39           HA       MET  39 -10.959   5.606   3.093
  153   1HB   MET  39          2HB       MET  39  -8.536   5.594   3.506
  154   2HB   MET  39          1HB       MET  39  -8.802   4.925   5.110
  155   1HG   MET  39          2HG       MET  39  -8.149   3.103   3.826
  156   2HG   MET  39          1HG       MET  39  -9.902   2.959   3.925
  157   1HE   MET  39          1HE       MET  39  -7.622   4.494   0.221
  158   2HE   MET  39          2HE       MET  39  -6.841   3.935   1.702
  159   3HE   MET  39          3HE       MET  39  -7.779   5.430   1.708
  160    H    GLY  40           H        GLY  40 -12.544   4.139   3.289
  161   1HA   GLY  40          2HA       GLY  40 -13.728   3.470   5.774
  162   2HA   GLY  40          1HA       GLY  40 -14.032   2.664   4.240
  163    H    ARG  41           H        ARG  41 -13.292   1.904   7.205
  164    HA   ARG  41           HA       ARG  41 -10.829   0.522   7.112
  165   1HB   ARG  41          2HB       ARG  41 -12.006   1.164   9.194
  166   2HB   ARG  41          1HB       ARG  41 -13.225  -0.058   8.855
  167   1HG   ARG  41          2HG       ARG  41 -11.478  -1.789   8.941
  168   2HG   ARG  41          1HG       ARG  41 -10.302  -0.546   9.373
  169   1HD   ARG  41          2HD       ARG  41 -11.067  -1.695  11.366
  170   2HD   ARG  41          1HD       ARG  41 -11.625  -0.022  11.381
  171    HE   ARG  41           HE       ARG  41 -13.816  -0.866  10.668
  172   1HH1  ARG  41          1HH1      ARG  41 -11.554  -3.089  12.172
  173   2HH1  ARG  41          2HH1      ARG  41 -12.789  -4.223  12.628
  174   1HH2  ARG  41          1HH2      ARG  41 -15.424  -2.339  11.276
  175   2HH2  ARG  41          2HH2      ARG  41 -14.996  -3.797  12.116
  176    H    SER  42           H        SER  42 -14.060  -0.456   6.129
  177    HA   SER  42           HA       SER  42 -13.578  -3.213   5.915
  178   1HB   SER  42          2HB       SER  42 -15.811  -2.011   5.651
  179   2HB   SER  42          1HB       SER  42 -15.300  -1.614   4.011
  180    HG   SER  42           HG       SER  42 -15.514  -4.237   5.092
  181    H    ARG  43           H        ARG  43 -13.030  -0.551   3.659
  182    HA   ARG  43           HA       ARG  43 -11.856  -2.213   1.636
  183   1HB   ARG  43          2HB       ARG  43 -12.942  -0.006   1.160
  184   2HB   ARG  43          1HB       ARG  43 -11.605   0.780   1.989
  185   1HG   ARG  43          2HG       ARG  43 -10.069  -0.331   0.323
  186   2HG   ARG  43          1HG       ARG  43 -11.521  -0.788  -0.572
  187   1HD   ARG  43          2HD       ARG  43 -12.146   1.651  -0.585
  188   2HD   ARG  43          1HD       ARG  43 -10.538   1.981   0.060
  189    HE   ARG  43           HE       ARG  43  -9.741   0.785  -2.044
  190   1HH1  ARG  43          1HH1      ARG  43 -12.656   2.733  -1.864
  191   2HH1  ARG  43          2HH1      ARG  43 -12.651   3.096  -3.569
  192   1HH2  ARG  43          1HH2      ARG  43  -9.751   1.292  -4.290
  193   2HH2  ARG  43          2HH2      ARG  43 -11.022   2.287  -4.940
  194    H    ARG  44           H        ARG  44 -10.732  -0.171   4.256
  195    HA   ARG  44           HA       ARG  44  -8.002  -0.120   3.779
  196   1HB   ARG  44          2HB       ARG  44  -9.502   0.911   5.696
  197   2HB   ARG  44          1HB       ARG  44  -9.025  -0.539   6.561
  198   1HG   ARG  44          2HG       ARG  44  -7.010   1.313   5.340
  199   2HG   ARG  44          1HG       ARG  44  -7.670   1.568   6.954
  200   1HD   ARG  44          2HD       ARG  44  -6.936  -0.869   7.391
  201   2HD   ARG  44          1HD       ARG  44  -5.938  -0.664   5.948
  202    HE   ARG  44           HE       ARG  44  -5.747   1.193   8.238
  203   1HH1  ARG  44          1HH1      ARG  44  -4.218  -1.092   6.035
  204   2HH1  ARG  44          2HH1      ARG  44  -2.612  -0.634   6.504
  205   1HH2  ARG  44          1HH2      ARG  44  -3.646   1.779   8.838
  206   2HH2  ARG  44          2HH2      ARG  44  -2.275   1.002   8.095
  207    H    ALA  45           H        ALA  45  -9.662  -2.373   5.998
  208    HA   ALA  45           HA       ALA  45  -7.711  -4.196   6.370
  209   1HB   ALA  45          1HB       ALA  45  -9.883  -4.275   7.471
  210   2HB   ALA  45          2HB       ALA  45  -9.452  -5.845   6.800
  211   3HB   ALA  45          3HB       ALA  45 -10.629  -4.828   5.973
  212    H    PHE  46           H        PHE  46 -10.094  -4.331   3.749
  213    HA   PHE  46           HA       PHE  46  -9.213  -6.646   2.516
  214   1HB   PHE  46          2HB       PHE  46 -11.139  -6.195   1.489
  215   2HB   PHE  46          1HB       PHE  46 -11.066  -4.510   1.974
  216    HD1  PHE  46           1HD      PHE  46 -10.451  -6.901  -0.718
  217    HD2  PHE  46           2HD      PHE  46 -10.201  -2.832   0.488
  218    HE1  PHE  46           1HE      PHE  46 -10.197  -6.220  -3.065
  219    HE2  PHE  46           2HE      PHE  46  -9.938  -2.149  -1.842
  220    HZ   PHE  46           HZ       PHE  46  -9.939  -3.836  -3.639
  221    H    LEU  47           H        LEU  47  -8.252  -3.286   1.685
  222    HA   LEU  47           HA       LEU  47  -6.350  -4.087  -0.270
  223   1HB   LEU  47          2HB       LEU  47  -5.632  -1.817  -0.299
  224   2HB   LEU  47          1HB       LEU  47  -7.376  -1.822  -0.126
  225    HG   LEU  47           HG       LEU  47  -6.738  -1.681   2.448
  226   1HD1  LEU  47          1HD1      LEU  47  -4.426  -0.319   1.073
  227   2HD1  LEU  47          2HD1      LEU  47  -4.337  -1.749   2.103
  228   3HD1  LEU  47          3HD1      LEU  47  -4.828  -0.200   2.788
  229   1HD2  LEU  47          1HD2      LEU  47  -6.754   0.647   0.539
  230   2HD2  LEU  47          2HD2      LEU  47  -7.015   0.743   2.281
  231   3HD2  LEU  47          3HD2      LEU  47  -8.161  -0.132   1.264
  232    H    THR  48           H        THR  48  -6.243  -4.127   3.142
  233    HA   THR  48           HA       THR  48  -3.372  -3.747   3.267
  234    HB   THR  48           HB       THR  48  -5.330  -4.596   5.421
  235    HG1  THR  48           1HG      THR  48  -5.601  -2.437   4.679
  236   1HG2  THR  48          1HG2      THR  48  -3.530  -4.069   6.995
  237   2HG2  THR  48          2HG2      THR  48  -2.441  -3.750   5.647
  238   3HG2  THR  48          3HG2      THR  48  -3.064  -5.379   5.909
  239    H    GLY  49           H        GLY  49  -5.611  -6.395   4.164
  240   1HA   GLY  49          2HA       GLY  49  -3.791  -8.464   4.265
  241   2HA   GLY  49          1HA       GLY  49  -5.477  -8.654   3.809
  242    H    LEU  50           H        LEU  50  -5.314  -7.053   1.444
  243    HA   LEU  50           HA       LEU  50  -4.410  -9.144  -0.313
  244   1HB   LEU  50          2HB       LEU  50  -5.611  -6.443  -0.818
  245   2HB   LEU  50          1HB       LEU  50  -4.963  -7.410  -2.130
  246    HG   LEU  50           HG       LEU  50  -7.281  -8.084  -0.331
  247   1HD1  LEU  50          1HD1      LEU  50  -7.017  -7.653  -3.300
  248   2HD1  LEU  50          2HD1      LEU  50  -7.786  -6.568  -2.144
  249   3HD1  LEU  50          3HD1      LEU  50  -8.490  -8.152  -2.469
  250   1HD2  LEU  50          1HD2      LEU  50  -5.952 -10.094  -0.649
  251   2HD2  LEU  50          2HD2      LEU  50  -5.910  -9.814  -2.388
  252   3HD2  LEU  50          3HD2      LEU  50  -7.438 -10.191  -1.593
  253    H    ALA  51           H        ALA  51  -3.427  -5.770   0.219
  254    HA   ALA  51           HA       ALA  51  -1.358  -5.706  -1.644
  255   1HB   ALA  51          1HB       ALA  51  -0.598  -3.737  -0.566
  256   2HB   ALA  51          2HB       ALA  51  -1.367  -4.199   0.952
  257   3HB   ALA  51          3HB       ALA  51  -2.362  -3.763  -0.441
  258    H    ARG  52           H        ARG  52  -1.267  -6.714   1.746
  259    HA   ARG  52           HA       ARG  52   1.495  -7.062   2.007
  260   1HB   ARG  52          2HB       ARG  52  -0.722  -8.696   3.262
  261   2HB   ARG  52          1HB       ARG  52   0.955  -8.698   3.785
  262   1HG   ARG  52          2HG       ARG  52   0.779  -6.341   4.375
  263   2HG   ARG  52          1HG       ARG  52  -0.903  -6.334   3.841
  264   1HD   ARG  52          2HD       ARG  52   0.251  -7.982   6.088
  265   2HD   ARG  52          1HD       ARG  52  -0.757  -6.548   6.265
  266    HE   ARG  52           HE       ARG  52  -1.882  -8.810   4.805
  267   1HH1  ARG  52          1HH1      ARG  52  -1.717  -6.954   7.762
  268   2HH1  ARG  52          2HH1      ARG  52  -3.179  -7.619   8.423
  269   1HH2  ARG  52          1HH2      ARG  52  -3.810  -9.702   5.671
  270   2HH2  ARG  52          2HH2      ARG  52  -4.382  -9.163   7.225
  271    H    SER  53           H        SER  53  -0.995  -9.295   0.836
  272    HA   SER  53           HA       SER  53   0.901 -11.406   0.406
  273   1HB   SER  53          2HB       SER  53  -1.598 -11.612   1.005
  274   2HB   SER  53          1HB       SER  53  -1.897 -11.317  -0.707
  275    HG   SER  53           HG       SER  53  -1.325 -13.295  -1.117
  276    H    LYS  54           H        LYS  54  -0.006  -8.659  -1.389
  277    HA   LYS  54           HA       LYS  54   0.248  -9.887  -3.982
  278   1HB   LYS  54          2HB       LYS  54   0.070  -6.978  -3.201
  279   2HB   LYS  54          1HB       LYS  54   0.096  -7.564  -4.858
  280   1HG   LYS  54          2HG       LYS  54  -2.022  -8.015  -2.778
  281   2HG   LYS  54          1HG       LYS  54  -2.162  -7.135  -4.301
  282   1HD   LYS  54          2HD       LYS  54  -1.873  -9.183  -5.551
  283   2HD   LYS  54          1HD       LYS  54  -1.604 -10.087  -4.060
  284   1HE   LYS  54          2HE       LYS  54  -3.874  -9.579  -3.330
  285   2HE   LYS  54          1HE       LYS  54  -4.146  -8.641  -4.797
  286   1HZ   LYS  54          1HZ       LYS  54  -3.546 -11.551  -4.706
  287   2HZ   LYS  54          2HZ       LYS  54  -3.862 -10.646  -6.104
  288   3HZ   LYS  54          3HZ       LYS  54  -5.083 -10.874  -4.947
  289    H    GLY  55           H        GLY  55   2.231  -7.405  -2.263
  290   1HA   GLY  55          2HA       GLY  55   4.688  -8.302  -2.668
  291   2HA   GLY  55          1HA       GLY  55   4.293  -7.729  -4.281
  292    H    PHE  56           H        PHE  56   3.076  -6.177  -1.423
  293    HA   PHE  56           HA       PHE  56   5.232  -4.166  -1.445
  294   1HB   PHE  56          2HB       PHE  56   2.470  -3.230  -0.851
  295   2HB   PHE  56          1HB       PHE  56   3.793  -2.372  -1.625
  296    HD1  PHE  56           1HD      PHE  56   4.172  -2.569  -4.013
  297    HD2  PHE  56           2HD      PHE  56   0.899  -4.523  -2.129
  298    HE1  PHE  56           1HE      PHE  56   3.124  -2.912  -6.208
  299    HE2  PHE  56           2HE      PHE  56  -0.152  -4.877  -4.322
  300    HZ   PHE  56           HZ       PHE  56   0.915  -4.069  -6.345
  301    H    ARG  57           H        ARG  57   5.549  -3.141   0.812
  302    HA   ARG  57           HA       ARG  57   4.294  -4.627   2.881
  303   1HB   ARG  57          2HB       ARG  57   5.635  -3.062   4.299
  304   2HB   ARG  57          1HB       ARG  57   6.590  -3.974   3.144
  305   1HG   ARG  57          2HG       ARG  57   6.845  -2.064   1.744
  306   2HG   ARG  57          1HG       ARG  57   5.681  -1.142   2.706
  307   1HD   ARG  57          2HD       ARG  57   7.145  -0.968   4.520
  308   2HD   ARG  57          1HD       ARG  57   8.160  -2.289   3.945
  309    HE   ARG  57           HE       ARG  57   8.495  -0.480   2.010
  310   1HH1  ARG  57          1HH1      ARG  57   8.579  -0.097   5.497
  311   2HH1  ARG  57          2HH1      ARG  57   9.801   1.139   5.452
  312   1HH2  ARG  57          1HH2      ARG  57  10.108   1.141   1.972
  313   2HH2  ARG  57          2HH2      ARG  57  10.650   1.838   3.470
  314    H    VAL  58           H        VAL  58   3.973  -2.664   4.794
  315    HA   VAL  58           HA       VAL  58   1.860  -0.968   3.762
  316    HB   VAL  58           HB       VAL  58   1.615  -2.619   6.288
  317   1HG1  VAL  58          1HG1      VAL  58  -0.663  -1.742   6.403
  318   2HG1  VAL  58          2HG1      VAL  58  -0.360  -0.755   4.975
  319   3HG1  VAL  58          3HG1      VAL  58   0.527  -0.443   6.467
  320   1HG2  VAL  58          1HG2      VAL  58   0.158  -2.892   3.660
  321   2HG2  VAL  58          2HG2      VAL  58  -0.211  -3.788   5.134
  322   3HG2  VAL  58          3HG2      VAL  58   1.339  -4.023   4.324
  323    H    LEU  59           H        LEU  59   2.307   1.069   4.332
  324    HA   LEU  59           HA       LEU  59   4.405   1.490   6.308
  325   1HB   LEU  59          2HB       LEU  59   4.092   2.563   3.892
  326   2HB   LEU  59          1HB       LEU  59   3.154   3.734   4.795
  327    HG   LEU  59           HG       LEU  59   5.556   4.344   4.357
  328   1HD1  LEU  59          1HD1      LEU  59   4.666   4.206   7.228
  329   2HD1  LEU  59          2HD1      LEU  59   4.262   5.469   6.066
  330   3HD1  LEU  59          3HD1      LEU  59   5.932   5.256   6.591
  331   1HD2  LEU  59          1HD2      LEU  59   6.079   2.220   6.431
  332   2HD2  LEU  59          2HD2      LEU  59   7.262   3.358   5.788
  333   3HD2  LEU  59          3HD2      LEU  59   6.540   2.145   4.729
  334    H    ASP  60           H        ASP  60   4.079   2.283   8.267
  335    HA   ASP  60           HA       ASP  60   1.389   2.570   9.224
  336   1HB   ASP  60          2HB       ASP  60   3.189   1.416  10.513
  337   2HB   ASP  60          1HB       ASP  60   4.005   2.962  10.700
  338    H    ALA  61           H        ALA  61   1.040   4.475  10.888
  339    HA   ALA  61           HA       ALA  61   1.029   6.811   9.220
  340   1HB   ALA  61          1HB       ALA  61  -0.911   6.256  10.582
  341   2HB   ALA  61          2HB       ALA  61  -0.266   7.833  11.037
  342   3HB   ALA  61          3HB       ALA  61   0.052   6.424  12.049
  343    H    CYS  62           H        CYS  62   1.699   8.917   9.953
  344    HA   CYS  62           HA       CYS  62   3.135  10.462  10.787
  345   1HB   CYS  62          2HB       CYS  62   4.054   8.301  12.691
  346   2HB   CYS  62          1HB       CYS  62   4.489  10.005  12.790
  347    HG   CYS  62           HG       CYS  62   2.544   9.267  14.753
  348    H    SER  63           H        SER  63   4.460   7.276  10.095
  349    HA   SER  63           HA       SER  63   7.131   8.132   9.662
  350   1HB   SER  63          2HB       SER  63   5.685   5.683   8.627
  351   2HB   SER  63          1HB       SER  63   7.430   5.926   8.596
  352    HG   SER  63           HG       SER  63   6.047   6.155  11.033
  353    H    SER  64           H        SER  64   8.230   8.608   7.785
  354    HA   SER  64           HA       SER  64   6.510   9.563   5.607
  355   1HB   SER  64          2HB       SER  64   9.332  10.377   6.328
  356   2HB   SER  64          1HB       SER  64   8.310  11.131   5.103
  357    HG   SER  64           HG       SER  64   8.403  11.601   7.745
  358    H    GLU  65           H        GLU  65   8.065   6.820   6.107
  359    HA   GLU  65           HA       GLU  65   9.845   6.804   3.823
  360   1HB   GLU  65          2HB       GLU  65  10.276   5.634   6.047
  361   2HB   GLU  65          1HB       GLU  65   9.107   4.431   5.518
  362   1HG   GLU  65          2HG       GLU  65  10.476   3.926   3.575
  363   2HG   GLU  65          1HG       GLU  65  11.637   5.161   4.056
  364    H    ALA  66           H        ALA  66   6.651   6.688   3.903
  365    HA   ALA  66           HA       ALA  66   6.136   4.463   2.152
  366   1HB   ALA  66          1HB       ALA  66   4.453   6.902   2.738
  367   2HB   ALA  66          2HB       ALA  66   4.370   5.362   3.591
  368   3HB   ALA  66          3HB       ALA  66   3.914   5.453   1.890
  369    H    THR  67           H        THR  67   5.608   4.643  -0.132
  370    HA   THR  67           HA       THR  67   6.411   7.212  -1.328
  371    HB   THR  67           HB       THR  67   8.231   5.575  -1.606
  372    HG1  THR  67           1HG      THR  67   8.427   5.789  -3.861
  373   1HG2  THR  67          1HG2      THR  67   6.947   3.510  -1.524
  374   2HG2  THR  67          2HG2      THR  67   7.895   3.572  -3.012
  375   3HG2  THR  67          3HG2      THR  67   6.163   3.909  -3.052
  376    H    HIS  68           H        HIS  68   3.796   5.738  -0.692
  377    HA   HIS  68           HA       HIS  68   2.513   6.984  -2.965
  378   1HB   HIS  68          2HB       HIS  68   2.433   4.033  -2.518
  379   2HB   HIS  68          1HB       HIS  68   0.946   4.830  -3.007
  380    HD1  HIS  68           1HD      HIS  68   1.149   6.224  -5.345
  381    HD2  HIS  68           2HD      HIS  68   4.093   3.394  -4.577
  382    HE1  HIS  68           1HE      HIS  68   2.212   5.730  -7.571
  383    HE2  HIS  68           2HE      HIS  68   3.795   3.829  -7.109
  384    H    VAL  69           H        VAL  69   1.530   8.423  -1.733
  385    HA   VAL  69           HA       VAL  69  -0.169   7.592   0.434
  386    HB   VAL  69           HB       VAL  69   0.192  10.251  -0.968
  387   1HG1  VAL  69          1HG1      VAL  69  -1.513   9.588   1.426
  388   2HG1  VAL  69          2HG1      VAL  69  -2.086  10.097  -0.163
  389   3HG1  VAL  69          3HG1      VAL  69  -1.158  11.214   0.838
  390   1HG2  VAL  69          1HG2      VAL  69   1.239  10.927   1.142
  391   2HG2  VAL  69          2HG2      VAL  69   2.086   9.570   0.401
  392   3HG2  VAL  69          3HG2      VAL  69   1.013   9.297   1.776
  393    H    VAL  70           H        VAL  70  -2.201   7.052   0.292
  394    HA   VAL  70           HA       VAL  70  -3.793   7.504  -2.126
  395    HB   VAL  70           HB       VAL  70  -4.619   5.116  -1.844
  396   1HG1  VAL  70          1HG1      VAL  70  -2.830   4.180  -3.247
  397   2HG1  VAL  70          2HG1      VAL  70  -1.818   5.567  -2.842
  398   3HG1  VAL  70          3HG1      VAL  70  -3.303   5.799  -3.762
  399   1HG2  VAL  70          1HG2      VAL  70  -3.635   4.597   0.291
  400   2HG2  VAL  70          2HG2      VAL  70  -2.019   4.847  -0.371
  401   3HG2  VAL  70          3HG2      VAL  70  -3.008   3.503  -0.942
  402    H    MET  71           H        MET  71  -6.027   7.453  -1.718
  403    HA   MET  71           HA       MET  71  -7.054   7.049   0.911
  404   1HB   MET  71          2HB       MET  71  -7.716   9.254   1.475
  405   2HB   MET  71          1HB       MET  71  -6.011   9.339   1.077
  406   1HG   MET  71          2HG       MET  71  -8.244  10.099  -0.780
  407   2HG   MET  71          1HG       MET  71  -7.334  11.223   0.226
  408   1HE   MET  71          1HE       MET  71  -3.757  11.015  -1.308
  409   2HE   MET  71          2HE       MET  71  -4.384  10.081   0.050
  410   3HE   MET  71          3HE       MET  71  -4.789  11.792  -0.107
  411    H    GLU  72           H        GLU  72  -9.445   7.564   0.954
  412    HA   GLU  72           HA       GLU  72 -10.548   7.149  -1.750
  413   1HB   GLU  72          2HB       GLU  72 -10.746   5.220  -0.132
  414   2HB   GLU  72          1HB       GLU  72 -11.766   6.240   0.872
  415   1HG   GLU  72          2HG       GLU  72 -13.271   6.490  -1.143
  416   2HG   GLU  72          1HG       GLU  72 -12.330   5.199  -1.883
  417    H    GLU  73           H        GLU  73 -12.595   8.149  -2.209
  418    HA   GLU  73           HA       GLU  73 -14.242   9.721  -2.152
  419   1HB   GLU  73          2HB       GLU  73 -13.725   9.904   0.820
  420   2HB   GLU  73          1HB       GLU  73 -15.184  10.389  -0.028
  421   1HG   GLU  73          2HG       GLU  73 -15.669   8.081  -0.570
  422   2HG   GLU  73          1HG       GLU  73 -14.169   7.566   0.198
  423    H    THR  74           H        THR  74 -11.544  10.555  -2.675
  424    HA   THR  74           HA       THR  74 -11.566  13.255  -1.504
  425    HB   THR  74           HB       THR  74  -9.142  11.487  -1.878
  426    HG1  THR  74           1HG      THR  74 -10.680  10.957  -0.127
  427   1HG2  THR  74          1HG2      THR  74  -8.701  13.920  -2.079
  428   2HG2  THR  74          2HG2      THR  74  -7.931  13.185  -0.671
  429   3HG2  THR  74          3HG2      THR  74  -9.398  14.141  -0.473
  430    H    SER  75           H        SER  75 -11.399  14.835  -2.949
  431    HA   SER  75           HA       SER  75 -10.394  14.267  -5.629
  432   1HB   SER  75          2HB       SER  75 -11.606  16.788  -4.454
  433   2HB   SER  75          1HB       SER  75 -11.150  16.567  -6.142
  434    HG   SER  75           HG       SER  75 -13.371  15.673  -4.776
  435    H    ALA  76           H        ALA  76  -9.033  16.339  -6.436
  436    HA   ALA  76           HA       ALA  76  -6.493  16.005  -5.461
  437   1HB   ALA  76          1HB       ALA  76  -5.886  18.018  -6.689
  438   2HB   ALA  76          2HB       ALA  76  -7.584  18.482  -6.792
  439   3HB   ALA  76          3HB       ALA  76  -7.015  17.030  -7.616
  440    H    GLU  77           H        GLU  77  -8.508  18.894  -4.847
  441    HA   GLU  77           HA       GLU  77  -6.853  20.330  -3.225
  442   1HB   GLU  77          2HB       GLU  77  -9.788  20.097  -2.632
  443   2HB   GLU  77          1HB       GLU  77  -8.753  21.508  -2.472
  444   1HG   GLU  77          2HG       GLU  77  -9.866  22.045  -4.356
  445   2HG   GLU  77          1HG       GLU  77  -8.496  21.190  -5.050
  446    H    GLU  78           H        GLU  78  -9.467  18.332  -1.991
  447    HA   GLU  78           HA       GLU  78  -8.969  18.297   0.679
  448   1HB   GLU  78          2HB       GLU  78  -9.710  15.868  -0.943
  449   2HB   GLU  78          1HB       GLU  78  -9.863  15.991   0.801
  450   1HG   GLU  78          2HG       GLU  78 -11.984  16.460   0.196
  451   2HG   GLU  78          1HG       GLU  78 -11.315  18.093   0.168
  452    H    ALA  79           H        ALA  79  -7.385  16.086  -1.620
  453    HA   ALA  79           HA       ALA  79  -5.805  14.845   0.421
  454   1HB   ALA  79          1HB       ALA  79  -5.317  14.745  -2.548
  455   2HB   ALA  79          2HB       ALA  79  -6.477  13.725  -1.697
  456   3HB   ALA  79          3HB       ALA  79  -4.757  13.604  -1.323
  457    H    VAL  80           H        VAL  80  -5.403  17.628  -1.615
  458    HA   VAL  80           HA       VAL  80  -2.599  17.918  -1.252
  459    HB   VAL  80           HB       VAL  80  -4.728  19.953  -1.921
  460   1HG1  VAL  80          1HG1      VAL  80  -1.732  20.313  -1.892
  461   2HG1  VAL  80          2HG1      VAL  80  -2.879  21.087  -0.798
  462   3HG1  VAL  80          3HG1      VAL  80  -2.903  21.477  -2.519
  463   1HG2  VAL  80          1HG2      VAL  80  -3.710  19.849  -4.153
  464   2HG2  VAL  80          2HG2      VAL  80  -4.341  18.286  -3.634
  465   3HG2  VAL  80          3HG2      VAL  80  -2.607  18.600  -3.577
  466    H    SER  81           H        SER  81  -5.397  19.312   0.495
  467    HA   SER  81           HA       SER  81  -3.961  20.561   2.543
  468   1HB   SER  81          2HB       SER  81  -6.611  19.138   2.880
  469   2HB   SER  81          1HB       SER  81  -6.020  20.534   3.784
  470    HG   SER  81           HG       SER  81  -6.780  21.774   2.275
  471    H    TRP  82           H        TRP  82  -5.285  17.321   2.350
  472    HA   TRP  82           HA       TRP  82  -4.207  16.191   4.635
  473   1HB   TRP  82          2HB       TRP  82  -5.562  14.712   3.474
  474   2HB   TRP  82          1HB       TRP  82  -4.779  15.044   1.928
  475    HD1  TRP  82           HD       TRP  82  -3.272  13.190   1.114
  476    HE1  TRP  82           1HE      TRP  82  -1.934  11.285   2.182
  477    HE3  TRP  82           3HE      TRP  82  -4.262  14.143   6.041
  478    HZ2  TRP  82           2HZ      TRP  82  -1.359  10.306   4.749
  479    HZ3  TRP  82           3HZ      TRP  82  -3.268  12.667   7.741
  480    HH2  TRP  82           HH       TRP  82  -1.843  10.787   7.102
  481    H    GLN  83           H        GLN  83  -2.593  16.545   1.479
  482    HA   GLN  83           HA       GLN  83  -0.105  15.491   2.124
  483   1HB   GLN  83          2HB       GLN  83  -0.705  16.074  -0.143
  484   2HB   GLN  83          1HB       GLN  83  -0.822  17.773   0.282
  485   1HG   GLN  83          2HG       GLN  83   1.776  16.922   0.984
  486   2HG   GLN  83          1HG       GLN  83   1.436  16.302  -0.632
  487   1HE2  GLN  83          1HE2      GLN  83  -0.444  18.550  -1.110
  488   2HE2  GLN  83          2HE2      GLN  83   0.563  19.907  -1.473
  489    H    GLU  84           H        GLU  84  -1.441  18.671   2.795
  490    HA   GLU  84           HA       GLU  84   0.895  19.914   3.732
  491   1HB   GLU  84          2HB       GLU  84  -2.022  20.335   4.330
  492   2HB   GLU  84          1HB       GLU  84  -0.773  21.324   5.074
  493   1HG   GLU  84          2HG       GLU  84  -1.079  21.007   2.106
  494   2HG   GLU  84          1HG       GLU  84  -1.861  22.285   3.036
  495    H    ARG  85           H        ARG  85  -1.593  18.049   5.484
  496    HA   ARG  85           HA       ARG  85  -0.394  18.167   8.015
  497   1HB   ARG  85          2HB       ARG  85  -2.047  15.952   6.794
  498   2HB   ARG  85          1HB       ARG  85  -1.592  16.023   8.490
  499   1HG   ARG  85          2HG       ARG  85  -2.771  18.254   8.582
  500   2HG   ARG  85          1HG       ARG  85  -3.414  17.871   6.984
  501   1HD   ARG  85          2HD       ARG  85  -4.392  15.804   7.884
  502   2HD   ARG  85          1HD       ARG  85  -3.769  16.218   9.482
  503    HE   ARG  85           HE       ARG  85  -5.779  17.837   8.033
  504   1HH1  ARG  85          1HH1      ARG  85  -4.541  16.388  10.989
  505   2HH1  ARG  85          2HH1      ARG  85  -5.751  17.129  11.997
  506   1HH2  ARG  85          1HH2      ARG  85  -7.393  18.757   9.372
  507   2HH2  ARG  85          2HH2      ARG  85  -7.370  18.445  11.080
  508    H    ARG  86           H        ARG  86   0.072  15.904   5.347
  509    HA   ARG  86           HA       ARG  86   1.966  14.211   6.491
  510   1HB   ARG  86          2HB       ARG  86   0.887  13.836   4.302
  511   2HB   ARG  86          1HB       ARG  86   1.783  15.188   3.629
  512   1HG   ARG  86          2HG       ARG  86   2.949  13.328   2.892
  513   2HG   ARG  86          1HG       ARG  86   3.880  13.868   4.287
  514   1HD   ARG  86          2HD       ARG  86   1.813  11.668   4.339
  515   2HD   ARG  86          1HD       ARG  86   3.550  11.411   4.205
  516    HE   ARG  86           HE       ARG  86   2.086  12.286   6.574
  517   1HH1  ARG  86          1HH1      ARG  86   5.167  11.669   5.049
  518   2HH1  ARG  86          2HH1      ARG  86   6.039  11.514   6.547
  519   1HH2  ARG  86          1HH2      ARG  86   3.222  12.071   8.560
  520   2HH2  ARG  86          2HH2      ARG  86   4.921  11.711   8.543
  521    H    MET  87           H        MET  87   2.462  17.169   4.605
  522    HA   MET  87           HA       MET  87   5.228  17.380   4.864
  523   1HB   MET  87          2HB       MET  87   3.155  19.555   4.609
  524   2HB   MET  87          1HB       MET  87   4.883  19.841   4.487
  525   1HG   MET  87          2HG       MET  87   3.512  17.869   2.700
  526   2HG   MET  87          1HG       MET  87   3.500  19.590   2.336
  527   1HE   MET  87          1HE       MET  87   5.466  16.320   2.578
  528   2HE   MET  87          2HE       MET  87   6.521  17.161   3.718
  529   3HE   MET  87          3HE       MET  87   7.113  16.748   2.114
  530    H    ALA  88           H        ALA  88   2.720  18.816   6.948
  531    HA   ALA  88           HA       ALA  88   4.380  20.128   8.730
  532   1HB   ALA  88          1HB       ALA  88   1.948  20.397   8.649
  533   2HB   ALA  88          2HB       ALA  88   2.518  20.077  10.286
  534   3HB   ALA  88          3HB       ALA  88   1.753  18.792   9.352
  535    H    ALA  89           H        ALA  89   3.829  16.721   8.443
  536    HA   ALA  89           HA       ALA  89   4.933  16.191  11.097
  537   1HB   ALA  89          1HB       ALA  89   2.986  14.893  10.360
  538   2HB   ALA  89          2HB       ALA  89   4.382  13.859  10.666
  539   3HB   ALA  89          3HB       ALA  89   3.926  14.258   9.009
  540    H    ALA  90           H        ALA  90   6.056  16.751   8.036
  541    HA   ALA  90           HA       ALA  90   8.362  14.952   8.274
  542   1HB   ALA  90          1HB       ALA  90   7.439  16.625   5.936
  543   2HB   ALA  90          2HB       ALA  90   7.136  14.900   6.152
  544   3HB   ALA  90          3HB       ALA  90   8.785  15.486   5.932
  545    HA   PRO  91           HA       PRO  91  11.049  18.361   9.315
  546   1HB   PRO  91          2HB       PRO  91  13.167  17.069   7.757
  547   2HB   PRO  91          1HB       PRO  91  13.076  17.351   9.497
  548   1HG   PRO  91          2HG       PRO  91  12.866  14.882   8.431
  549   2HG   PRO  91          1HG       PRO  91  11.994  15.359   9.899
  550   1HD   PRO  91          2HD       PRO  91  10.991  15.137   7.085
  551   2HD   PRO  91          1HD       PRO  91  10.204  14.656   8.604
  552    HA   PRO  92           HA       PRO  92  10.548  20.983   5.716
  553   1HB   PRO  92          2HB       PRO  92  12.538  22.591   7.254
  554   2HB   PRO  92          1HB       PRO  92  11.007  23.093   6.524
  555   1HG   PRO  92          2HG       PRO  92  11.147  22.741   9.137
  556   2HG   PRO  92          1HG       PRO  92   9.734  22.161   8.235
  557   1HD   PRO  92          2HD       PRO  92  12.055  20.612   9.315
  558   2HD   PRO  92          1HD       PRO  92  10.330  20.188   9.289
  559    H    GLY  93           H        GLY  93  11.511  20.587   3.872
  560   1HA   GLY  93          2HA       GLY  93  13.593  20.955   2.558
  561   2HA   GLY  93          1HA       GLY  93  14.435  20.142   3.876
  562    H    CYS  94           H        CYS  94  11.973  18.388   4.135
  563    HA   CYS  94           HA       CYS  94  12.843  16.370   2.234
  564   1HB   CYS  94          2HB       CYS  94  12.400  15.757   4.589
  565   2HB   CYS  94          1HB       CYS  94  10.716  16.235   4.390
  566    HG   CYS  94           HG       CYS  94  10.289  14.253   2.350
  567    H    THR  95           H        THR  95  11.685  15.588   0.560
  568    HA   THR  95           HA       THR  95   9.432  17.157  -0.373
  569    HB   THR  95           HB       THR  95   9.641  15.543  -2.363
  570    HG1  THR  95           1HG      THR  95  11.158  14.054  -2.282
  571   1HG2  THR  95          1HG2      THR  95  11.978  17.307  -1.620
  572   2HG2  THR  95          2HG2      THR  95  10.491  17.829  -2.411
  573   3HG2  THR  95          3HG2      THR  95  11.600  16.741  -3.248
  574    HA   PRO  96           HA       PRO  96   6.395  14.175   0.902
  575   1HB   PRO  96          2HB       PRO  96   4.354  14.871  -0.703
  576   2HB   PRO  96          1HB       PRO  96   4.907  15.922   0.608
  577   1HG   PRO  96          2HG       PRO  96   5.457  16.102  -2.323
  578   2HG   PRO  96          1HG       PRO  96   5.112  17.398  -1.165
  579   1HD   PRO  96          2HD       PRO  96   7.636  16.723  -2.039
  580   2HD   PRO  96          1HD       PRO  96   7.294  17.542  -0.504
  581    HA   PRO  97           HA       PRO  97   6.605  10.859  -2.117
  582   1HB   PRO  97          2HB       PRO  97   4.910   9.134  -0.968
  583   2HB   PRO  97          1HB       PRO  97   6.481   9.490  -0.234
  584   1HG   PRO  97          2HG       PRO  97   3.794  10.649   0.408
  585   2HG   PRO  97          1HG       PRO  97   5.006   9.986   1.522
  586   1HD   PRO  97          2HD       PRO  97   4.766  12.641   1.089
  587   2HD   PRO  97          1HD       PRO  97   6.342  11.879   1.398
  588    H    ALA  98           H        ALA  98   4.956   9.537  -3.412
  589    HA   ALA  98           HA       ALA  98   3.523  11.210  -5.009
  590   1HB   ALA  98          1HB       ALA  98   2.965   8.288  -4.555
  591   2HB   ALA  98          2HB       ALA  98   4.229   8.939  -5.598
  592   3HB   ALA  98          3HB       ALA  98   2.533   9.230  -5.981
  593    H    LEU  99           H        LEU  99   1.924  12.514  -4.449
  594    HA   LEU  99           HA       LEU  99  -0.211  11.628  -2.694
  595   1HB   LEU  99          2HB       LEU  99   0.700  13.984  -2.729
  596   2HB   LEU  99          1HB       LEU  99  -0.003  14.170  -4.321
  597    HG   LEU  99           HG       LEU  99  -2.256  13.801  -3.339
  598   1HD1  LEU  99          1HD1      LEU  99  -1.627  12.473  -1.416
  599   2HD1  LEU  99          2HD1      LEU  99  -2.500  13.917  -0.903
  600   3HD1  LEU  99          3HD1      LEU  99  -0.746  13.840  -0.734
  601   1HD2  LEU  99          1HD2      LEU  99  -1.387  16.060  -3.684
  602   2HD2  LEU  99          2HD2      LEU  99  -0.666  16.030  -2.075
  603   3HD2  LEU  99          3HD2      LEU  99  -2.419  15.975  -2.257
  604    H    LEU 100           H        LEU 100  -2.004  10.671  -3.401
  605    HA   LEU 100           HA       LEU 100  -3.213  11.002  -5.882
  606   1HB   LEU 100          2HB       LEU 100  -2.601   8.657  -6.785
  607   2HB   LEU 100          1HB       LEU 100  -1.522  10.006  -7.069
  608    HG   LEU 100           HG       LEU 100  -0.313   9.093  -4.916
  609   1HD1  LEU 100          1HD1      LEU 100  -1.961   7.374  -4.404
  610   2HD1  LEU 100          2HD1      LEU 100  -0.384   6.671  -4.772
  611   3HD1  LEU 100          3HD1      LEU 100  -1.674   6.627  -5.975
  612   1HD2  LEU 100          1HD2      LEU 100   0.602   9.288  -7.191
  613   2HD2  LEU 100          2HD2      LEU 100  -0.094   7.712  -7.576
  614   3HD2  LEU 100          3HD2      LEU 100   1.163   7.843  -6.348
  615    H    ASP 101           H        ASP 101  -4.385   8.510  -6.315
  616    HA   ASP 101           HA       ASP 101  -6.036   8.518  -3.882
  617   1HB   ASP 101          2HB       ASP 101  -7.122   9.530  -5.819
  618   2HB   ASP 101          1HB       ASP 101  -6.786   8.104  -6.787
  619    H    ILE 102           H        ILE 102  -7.106   6.568  -3.305
  620    HA   ILE 102           HA       ILE 102  -5.546   4.285  -3.115
  621    HB   ILE 102           HB       ILE 102  -7.350   4.739  -1.565
  622   1HG1  ILE 102          2HG1      ILE 102  -8.500   2.525  -1.531
  623   2HG1  ILE 102          1HG1      ILE 102  -7.801   2.178  -3.110
  624   1HG2  ILE 102          1HG2      ILE 102  -8.937   5.785  -3.061
  625   2HG2  ILE 102          2HG2      ILE 102  -9.716   4.441  -2.227
  626   3HG2  ILE 102          3HG2      ILE 102  -9.203   4.260  -3.903
  627   1HD1  ILE 102          1HD1      ILE 102  -6.264   2.721  -0.589
  628   2HD1  ILE 102          2HD1      ILE 102  -5.576   2.338  -2.170
  629   3HD1  ILE 102          3HD1      ILE 102  -6.548   1.137  -1.318
  630    H    SER 103           H        SER 103  -7.255   5.340  -5.808
  631    HA   SER 103           HA       SER 103  -8.073   2.861  -6.928
  632   1HB   SER 103          2HB       SER 103  -7.978   4.291  -9.117
  633   2HB   SER 103          1HB       SER 103  -9.171   4.668  -7.873
  634    HG   SER 103           HG       SER 103  -7.952   6.364  -7.195
  635    H    TRP 104           H        TRP 104  -4.983   4.426  -6.758
  636    HA   TRP 104           HA       TRP 104  -3.717   2.953  -8.847
  637   1HB   TRP 104          2HB       TRP 104  -2.427   4.777  -8.135
  638   2HB   TRP 104          1HB       TRP 104  -2.719   4.443  -6.431
  639    HD1  TRP 104           HD       TRP 104  -0.473   3.332  -9.352
  640    HE1  TRP 104           1HE      TRP 104   1.537   2.012  -8.395
  641    HE3  TRP 104           3HE      TRP 104  -1.925   3.059  -4.445
  642    HZ2  TRP 104           2HZ      TRP 104   2.371   0.997  -5.908
  643    HZ3  TRP 104           3HZ      TRP 104  -0.465   1.891  -2.846
  644    HH2  TRP 104           HH       TRP 104   1.640   0.884  -3.566
  645    H    LEU 105           H        LEU 105  -4.666   2.222  -5.612
  646    HA   LEU 105           HA       LEU 105  -2.642   0.169  -5.285
  647   1HB   LEU 105          2HB       LEU 105  -3.254   1.611  -3.380
  648   2HB   LEU 105          1HB       LEU 105  -4.880   0.952  -3.419
  649    HG   LEU 105           HG       LEU 105  -4.054  -1.249  -2.817
  650   1HD1  LEU 105          1HD1      LEU 105  -1.320   0.016  -2.852
  651   2HD1  LEU 105          2HD1      LEU 105  -1.921  -1.204  -3.974
  652   3HD1  LEU 105          3HD1      LEU 105  -1.692  -1.606  -2.272
  653   1HD2  LEU 105          1HD2      LEU 105  -2.934   0.928  -1.062
  654   2HD2  LEU 105          2HD2      LEU 105  -3.182  -0.747  -0.573
  655   3HD2  LEU 105          3HD2      LEU 105  -4.566   0.263  -0.997
  656    H    THR 106           H        THR 106  -6.111   0.412  -5.799
  657    HA   THR 106           HA       THR 106  -6.721  -2.273  -5.273
  658    HB   THR 106           HB       THR 106  -8.694  -1.684  -6.914
  659    HG1  THR 106           1HG      THR 106  -8.534   0.273  -7.722
  660   1HG2  THR 106          1HG2      THR 106  -8.920  -1.910  -4.496
  661   2HG2  THR 106          2HG2      THR 106  -9.800  -0.489  -5.054
  662   3HG2  THR 106          3HG2      THR 106  -8.233  -0.299  -4.262
  663    H    GLU 107           H        GLU 107  -6.216  -0.673  -8.463
  664    HA   GLU 107           HA       GLU 107  -6.127  -2.948 -10.004
  665   1HB   GLU 107          2HB       GLU 107  -4.570  -0.386 -10.324
  666   2HB   GLU 107          1HB       GLU 107  -4.712  -1.621 -11.569
  667   1HG   GLU 107          2HG       GLU 107  -7.175  -1.317 -11.504
  668   2HG   GLU 107          1HG       GLU 107  -6.934   0.021 -10.382
  669    H    SER 108           H        SER 108  -3.231  -1.284  -8.746
  670    HA   SER 108           HA       SER 108  -1.335  -3.132  -9.397
  671   1HB   SER 108          2HB       SER 108  -0.066  -2.411  -7.319
  672   2HB   SER 108          1HB       SER 108  -0.572  -1.123  -8.405
  673    HG   SER 108           HG       SER 108  -2.053  -0.466  -6.984
  674    H    LEU 109           H        LEU 109  -3.463  -3.324  -6.555
  675    HA   LEU 109           HA       LEU 109  -2.456  -5.705  -5.498
  676   1HB   LEU 109          2HB       LEU 109  -5.273  -4.665  -5.499
  677   2HB   LEU 109          1HB       LEU 109  -4.728  -6.036  -4.551
  678    HG   LEU 109           HG       LEU 109  -4.053  -3.137  -4.218
  679   1HD1  LEU 109          1HD1      LEU 109  -4.677  -3.614  -1.913
  680   2HD1  LEU 109          2HD1      LEU 109  -4.956  -5.301  -2.343
  681   3HD1  LEU 109          3HD1      LEU 109  -5.972  -4.036  -3.035
  682   1HD2  LEU 109          1HD2      LEU 109  -2.326  -3.788  -2.607
  683   2HD2  LEU 109          2HD2      LEU 109  -1.922  -4.298  -4.245
  684   3HD2  LEU 109          3HD2      LEU 109  -2.530  -5.472  -3.081
  685    H    GLY 110           H        GLY 110  -5.001  -5.212  -7.917
  686   1HA   GLY 110          2HA       GLY 110  -5.710  -7.904  -8.265
  687   2HA   GLY 110          1HA       GLY 110  -5.924  -6.633  -9.460
  688    H    ALA 111           H        ALA 111  -3.452  -5.909 -10.146
  689    HA   ALA 111           HA       ALA 111  -2.545  -7.964 -11.823
  690   1HB   ALA 111          1HB       ALA 111  -1.052  -5.487 -10.976
  691   2HB   ALA 111          2HB       ALA 111  -2.226  -5.576 -12.288
  692   3HB   ALA 111          3HB       ALA 111  -0.714  -6.480 -12.393
  693    H    GLY 112           H        GLY 112  -1.520  -6.986  -8.619
  694   1HA   GLY 112          2HA       GLY 112  -0.370  -8.303  -7.074
  695   2HA   GLY 112          1HA       GLY 112   0.004  -9.445  -8.353
  696    H    GLN 113           H        GLN 113   0.596  -6.114  -8.914
  697    HA   GLN 113           HA       GLN 113   3.333  -6.104  -8.049
  698   1HB   GLN 113          2HB       GLN 113   4.309  -5.834 -10.305
  699   2HB   GLN 113          1HB       GLN 113   3.598  -7.425 -10.086
  700   1HG   GLN 113          2HG       GLN 113   1.624  -6.712 -11.339
  701   2HG   GLN 113          1HG       GLN 113   2.346  -5.119 -11.558
  702   1HE2  GLN 113          1HE2      GLN 113   4.084  -4.873 -12.951
  703   2HE2  GLN 113          2HE2      GLN 113   4.483  -6.074 -14.135
  704    HA   PRO 114           HA       PRO 114   2.417  -1.816  -7.914
  705   1HB   PRO 114          2HB       PRO 114   4.903  -0.721  -8.239
  706   2HB   PRO 114          1HB       PRO 114   4.339  -1.455  -6.736
  707   1HG   PRO 114          2HG       PRO 114   6.099  -2.594  -8.858
  708   2HG   PRO 114          1HG       PRO 114   6.204  -2.766  -7.097
  709   1HD   PRO 114          2HD       PRO 114   5.198  -4.701  -8.714
  710   2HD   PRO 114          1HD       PRO 114   4.651  -4.456  -7.044
  711    H    VAL 115           H        VAL 115   1.197  -1.559  -9.776
  712    HA   VAL 115           HA       VAL 115   2.299  -1.220 -12.364
  713    HB   VAL 115           HB       VAL 115   0.108  -0.315 -13.001
  714   1HG1  VAL 115          1HG1      VAL 115  -0.043  -2.753 -11.240
  715   2HG1  VAL 115          2HG1      VAL 115   0.419  -2.712 -12.941
  716   3HG1  VAL 115          3HG1      VAL 115  -1.229  -2.297 -12.462
  717   1HG2  VAL 115          1HG2      VAL 115  -1.702  -0.164 -11.346
  718   2HG2  VAL 115          2HG2      VAL 115  -0.403   0.979 -11.005
  719   3HG2  VAL 115          3HG2      VAL 115  -0.547  -0.502 -10.062
  720    HA   PRO 116           HA       PRO 116   3.712   2.985 -12.239
  721   1HB   PRO 116          2HB       PRO 116   2.769   3.157 -15.034
  722   2HB   PRO 116          1HB       PRO 116   4.400   3.367 -14.389
  723   1HG   PRO 116          2HG       PRO 116   3.731   1.192 -15.804
  724   2HG   PRO 116          1HG       PRO 116   4.848   1.096 -14.430
  725   1HD   PRO 116          2HD       PRO 116   1.948   0.356 -14.565
  726   2HD   PRO 116          1HD       PRO 116   3.286  -0.479 -13.751
  727    H    VAL 117           H        VAL 117   2.630   4.655 -11.407
  728    HA   VAL 117           HA       VAL 117  -0.184   4.719 -11.338
  729    HB   VAL 117           HB       VAL 117   1.017   5.665  -9.508
  730   1HG1  VAL 117          1HG1      VAL 117   3.040   6.392 -10.615
  731   2HG1  VAL 117          2HG1      VAL 117   2.340   7.735  -9.710
  732   3HG1  VAL 117          3HG1      VAL 117   2.155   7.662 -11.462
  733   1HG2  VAL 117          1HG2      VAL 117  -0.015   7.939  -9.394
  734   2HG2  VAL 117          2HG2      VAL 117  -1.126   6.648  -9.848
  735   3HG2  VAL 117          3HG2      VAL 117  -0.494   7.743 -11.079
  736    H    GLU 118           H        GLU 118  -1.385   5.037 -13.037
  737    HA   GLU 118           HA       GLU 118  -0.811   6.751 -15.198
  738   1HB   GLU 118          2HB       GLU 118  -2.616   4.792 -14.724
  739   2HB   GLU 118          1HB       GLU 118  -3.636   6.202 -14.481
  740   1HG   GLU 118          2HG       GLU 118  -2.020   5.611 -16.939
  741   2HG   GLU 118          1HG       GLU 118  -3.755   5.351 -16.762
  742    H    CYS 119           H        CYS 119  -1.583   8.817 -15.638
  743    HA   CYS 119           HA       CYS 119  -1.400  10.590 -13.481
  744   1HB   CYS 119          2HB       CYS 119  -2.423  11.117 -16.275
  745   2HB   CYS 119          1HB       CYS 119  -1.873  12.339 -15.129
  746    HG   CYS 119           HG       CYS 119  -0.085  10.253 -17.074
  747    H    ARG 120           H        ARG 120  -4.178   9.048 -14.899
  748    HA   ARG 120           HA       ARG 120  -6.190  10.789 -13.982
  749   1HB   ARG 120          2HB       ARG 120  -6.048   7.983 -14.841
  750   2HB   ARG 120          1HB       ARG 120  -7.359   8.335 -13.729
  751   1HG   ARG 120          2HG       ARG 120  -8.179   8.522 -15.960
  752   2HG   ARG 120          1HG       ARG 120  -8.111  10.135 -15.254
  753   1HD   ARG 120          2HD       ARG 120  -5.897   9.046 -16.963
  754   2HD   ARG 120          1HD       ARG 120  -7.297   9.857 -17.659
  755    HE   ARG 120           HE       ARG 120  -6.487  11.675 -15.882
  756   1HH1  ARG 120          1HH1      ARG 120  -4.630   9.751 -18.128
  757   2HH1  ARG 120          2HH1      ARG 120  -3.445  10.987 -18.436
  758   1HH2  ARG 120          1HH2      ARG 120  -4.925  13.315 -16.236
  759   2HH2  ARG 120          2HH2      ARG 120  -3.617  13.028 -17.352
  760    H    HIS 121           H        HIS 121  -4.249   8.420 -12.304
  761    HA   HIS 121           HA       HIS 121  -5.932   8.630  -9.916
  762   1HB   HIS 121          2HB       HIS 121  -3.454   6.957 -10.401
  763   2HB   HIS 121          1HB       HIS 121  -4.480   6.881  -8.975
  764    HD1  HIS 121           1HD      HIS 121  -7.215   6.917 -10.633
  765    HD2  HIS 121           2HD      HIS 121  -3.978   4.367 -11.220
  766    HE1  HIS 121           1HE      HIS 121  -8.147   4.887 -11.795
  767    HE2  HIS 121           2HE      HIS 121  -6.212   3.270 -11.938
  768    H    ARG 122           H        ARG 122  -3.611  10.414 -11.280
  769    HA   ARG 122           HA       ARG 122  -1.892  10.808  -8.938
  770   1HB   ARG 122          2HB       ARG 122  -1.089  10.397 -11.366
  771   2HB   ARG 122          1HB       ARG 122  -1.569  12.058 -11.664
  772   1HG   ARG 122          2HG       ARG 122   0.737  12.119 -11.263
  773   2HG   ARG 122          1HG       ARG 122  -0.011  12.705  -9.778
  774   1HD   ARG 122          2HD       ARG 122   0.816  11.015  -8.575
  775   2HD   ARG 122          1HD       ARG 122   0.356   9.823  -9.789
  776    HE   ARG 122           HE       ARG 122   2.426  10.310 -10.942
  777   1HH1  ARG 122          1HH1      ARG 122   2.188  11.624  -7.705
  778   2HH1  ARG 122          2HH1      ARG 122   3.912  11.615  -7.444
  779   1HH2  ARG 122          1HH2      ARG 122   4.673  10.343 -10.624
  780   2HH2  ARG 122          2HH2      ARG 122   5.325  10.931  -9.118
  781    H    LEU 123           H        LEU 123  -4.635  11.826  -8.967
  782    HA   LEU 123           HA       LEU 123  -4.670  14.494  -9.945
  783   1HB   LEU 123          2HB       LEU 123  -6.936  14.602  -9.301
  784   2HB   LEU 123          1HB       LEU 123  -6.651  12.997  -9.932
  785    HG   LEU 123           HG       LEU 123  -6.817  13.643  -6.986
  786   1HD1  LEU 123          1HD1      LEU 123  -8.924  12.563  -8.848
  787   2HD1  LEU 123          2HD1      LEU 123  -8.942  14.122  -8.021
  788   3HD1  LEU 123          3HD1      LEU 123  -9.051  12.629  -7.092
  789   1HD2  LEU 123          1HD2      LEU 123  -6.819  11.030  -8.488
  790   2HD2  LEU 123          2HD2      LEU 123  -7.172  11.207  -6.770
  791   3HD2  LEU 123          3HD2      LEU 123  -5.575  11.626  -7.386
  792    H    GLU 124           H        GLU 124  -2.791  15.243  -8.638
  793    HA   GLU 124           HA       GLU 124  -3.971  16.632  -6.329
  794   1HB   GLU 124          2HB       GLU 124  -1.531  17.281  -5.819
  795   2HB   GLU 124          1HB       GLU 124  -2.043  15.639  -5.454
  796   1HG   GLU 124          2HG       GLU 124  -0.733  14.719  -7.053
  797   2HG   GLU 124          1HG       GLU 124  -0.861  16.113  -8.120
  Start of MODEL    6
    1   1H    GLY  20          1HT       GLY  20   5.296 -21.165   8.651
    2   2H    GLY  20          2HT       GLY  20   4.704 -22.031   7.318
    3   3H    GLY  20          3HT       GLY  20   3.760 -20.816   8.026
    4   1HA   GLY  20          1HA       GLY  20   6.360 -20.364   6.682
    5   2HA   GLY  20          2HA       GLY  20   4.791 -20.104   5.933
    6    H    THR  21           H        THR  21   6.407 -17.992   5.964
    7    HA   THR  21           HA       THR  21   5.770 -16.359   8.292
    8    HB   THR  21           HB       THR  21   7.108 -14.612   6.930
    9    HG1  THR  21           1HG      THR  21   8.656 -15.994   5.545
   10   1HG2  THR  21          1HG2      THR  21   8.429 -17.130   7.951
   11   2HG2  THR  21          2HG2      THR  21   8.006 -15.709   8.906
   12   3HG2  THR  21          3HG2      THR  21   9.251 -15.596   7.663
   13    HA   PRO  22           HA       PRO  22   2.046 -14.827   6.293
   14   1HB   PRO  22          2HB       PRO  22   2.397 -12.772   8.416
   15   2HB   PRO  22          1HB       PRO  22   0.975 -13.744   8.016
   16   1HG   PRO  22          2HG       PRO  22   2.429 -14.288  10.178
   17   2HG   PRO  22          1HG       PRO  22   1.749 -15.592   9.187
   18   1HD   PRO  22          2HD       PRO  22   4.555 -14.570   9.313
   19   2HD   PRO  22          1HD       PRO  22   3.967 -16.236   9.134
   20    HA   PRO  23           HA       PRO  23   4.042 -11.804   3.684
   21   1HB   PRO  23          2HB       PRO  23   1.255 -11.191   2.896
   22   2HB   PRO  23          1HB       PRO  23   2.623 -11.684   1.894
   23   1HG   PRO  23          2HG       PRO  23   0.622 -13.372   2.423
   24   2HG   PRO  23          1HG       PRO  23   2.302 -13.934   2.330
   25   1HD   PRO  23          2HD       PRO  23   0.612 -13.399   4.740
   26   2HD   PRO  23          1HD       PRO  23   1.773 -14.711   4.445
   27    H    SER  24           H        SER  24   4.762 -10.022   4.706
   28    HA   SER  24           HA       SER  24   2.762  -8.058   5.579
   29   1HB   SER  24          2HB       SER  24   3.639  -9.390   7.523
   30   2HB   SER  24          1HB       SER  24   5.243  -8.750   7.169
   31    HG   SER  24           HG       SER  24   4.196  -7.510   8.762
   32    H    THR  25           H        THR  25   3.105  -6.685   3.924
   33    HA   THR  25           HA       THR  25   4.073  -5.112   2.595
   34    HB   THR  25           HB       THR  25   5.104  -3.316   3.762
   35    HG1  THR  25           1HG      THR  25   6.593  -5.092   4.919
   36   1HG2  THR  25          1HG2      THR  25   3.802  -3.088   5.786
   37   2HG2  THR  25          2HG2      THR  25   3.475  -4.819   5.799
   38   3HG2  THR  25          3HG2      THR  25   2.824  -3.812   4.508
   39    H    ARG  26           H        ARG  26   5.115  -7.023   1.455
   40    HA   ARG  26           HA       ARG  26   7.774  -7.735   2.240
   41   1HB   ARG  26          2HB       ARG  26   5.983  -8.680   0.034
   42   2HB   ARG  26          1HB       ARG  26   7.646  -9.231   0.187
   43   1HG   ARG  26          2HG       ARG  26   7.088  -9.940   2.532
   44   2HG   ARG  26          1HG       ARG  26   5.400  -9.601   2.148
   45   1HD   ARG  26          2HD       ARG  26   5.463 -11.220   0.337
   46   2HD   ARG  26          1HD       ARG  26   7.172 -11.522   0.649
   47    HE   ARG  26           HE       ARG  26   6.006 -12.071   3.035
   48   1HH1  ARG  26          1HH1      ARG  26   5.423 -13.174  -0.253
   49   2HH1  ARG  26          2HH1      ARG  26   4.819 -14.727   0.252
   50   1HH2  ARG  26          1HH2      ARG  26   5.200 -14.135   3.676
   51   2HH2  ARG  26          2HH2      ARG  26   4.692 -15.266   2.460
   52    H    PHE  27           H        PHE  27   6.472  -5.706  -0.332
   53    HA   PHE  27           HA       PHE  27   9.228  -5.294  -1.288
   54   1HB   PHE  27          2HB       PHE  27   6.589  -4.480  -2.527
   55   2HB   PHE  27          1HB       PHE  27   8.158  -4.022  -3.167
   56    HD1  PHE  27           1HD      PHE  27   8.925  -7.123  -2.111
   57    HD2  PHE  27           2HD      PHE  27   6.374  -5.249  -4.953
   58    HE1  PHE  27           1HE      PHE  27   8.947  -9.167  -3.482
   59    HE2  PHE  27           2HE      PHE  27   6.384  -7.280  -6.320
   60    HZ   PHE  27           HZ       PHE  27   7.675  -9.252  -5.589
   61    HA   PRO  28           HA       PRO  28   8.381  -1.811   1.480
   62   1HB   PRO  28          2HB       PRO  28  10.850  -1.494   2.479
   63   2HB   PRO  28          1HB       PRO  28   9.775  -2.799   3.006
   64   1HG   PRO  28          2HG       PRO  28  12.088  -2.884   1.115
   65   2HG   PRO  28          1HG       PRO  28  11.584  -4.075   2.327
   66   1HD   PRO  28          2HD       PRO  28  11.047  -4.243  -0.382
   67   2HD   PRO  28          1HD       PRO  28  10.143  -5.089   0.887
   68    H    GLY  29           H        GLY  29  10.271  -1.958  -1.328
   69   1HA   GLY  29          2HA       GLY  29  11.323   0.653  -1.430
   70   2HA   GLY  29          1HA       GLY  29  10.865  -0.316  -2.828
   71    H    VAL  30           H        VAL  30   8.243  -0.623  -2.669
   72    HA   VAL  30           HA       VAL  30   7.126   2.008  -2.998
   73    HB   VAL  30           HB       VAL  30   5.760  -0.697  -2.999
   74   1HG1  VAL  30          1HG1      VAL  30   4.795   2.005  -3.913
   75   2HG1  VAL  30          2HG1      VAL  30   4.183   1.064  -2.549
   76   3HG1  VAL  30          3HG1      VAL  30   3.957   0.478  -4.200
   77   1HG2  VAL  30          1HG2      VAL  30   7.379  -0.585  -4.788
   78   2HG2  VAL  30          2HG2      VAL  30   6.753   0.983  -5.297
   79   3HG2  VAL  30          3HG2      VAL  30   5.747  -0.462  -5.454
   80    H    ALA  31           H        ALA  31   6.448   3.201  -1.287
   81    HA   ALA  31           HA       ALA  31   5.579   1.769   1.130
   82   1HB   ALA  31          1HB       ALA  31   6.098   3.834   2.345
   83   2HB   ALA  31          2HB       ALA  31   6.619   4.588   0.839
   84   3HB   ALA  31          3HB       ALA  31   7.511   3.211   1.493
   85    H    ILE  32           H        ILE  32   3.473   1.797   1.506
   86    HA   ILE  32           HA       ILE  32   1.830   3.742   0.008
   87    HB   ILE  32           HB       ILE  32   0.963   0.979   0.803
   88   1HG1  ILE  32          2HG1      ILE  32   2.122   1.745  -1.886
   89   2HG1  ILE  32          1HG1      ILE  32   3.022   0.873  -0.650
   90   1HG2  ILE  32          1HG2      ILE  32  -0.651   1.290  -1.000
   91   2HG2  ILE  32          2HG2      ILE  32   0.012   2.900  -1.298
   92   3HG2  ILE  32          3HG2      ILE  32  -0.781   2.540   0.238
   93   1HD1  ILE  32          1HD1      ILE  32   0.516  -0.079  -2.018
   94   2HD1  ILE  32          2HD1      ILE  32   1.416  -0.959  -0.784
   95   3HD1  ILE  32          3HD1      ILE  32   2.159  -0.626  -2.348
   96    H    TYR  33           H        TYR  33   0.936   5.153   1.554
   97    HA   TYR  33           HA       TYR  33  -0.005   3.869   4.010
   98   1HB   TYR  33          2HB       TYR  33   1.772   5.510   4.447
   99   2HB   TYR  33          1HB       TYR  33   0.867   6.736   3.566
  100    HD1  TYR  33           1HD      TYR  33  -0.275   8.264   4.843
  101    HD2  TYR  33           2HD      TYR  33   0.278   4.341   6.390
  102    HE1  TYR  33           1HE      TYR  33  -1.417   8.929   6.909
  103    HE2  TYR  33           2HE      TYR  33  -0.865   5.000   8.468
  104    HH   TYR  33           HH       TYR  33  -2.592   7.958   8.746
  105    H    LEU  34           H        LEU  34  -2.104   4.007   4.425
  106    HA   LEU  34           HA       LEU  34  -3.784   5.489   2.525
  107   1HB   LEU  34          2HB       LEU  34  -5.040   3.654   4.469
  108   2HB   LEU  34          1HB       LEU  34  -5.359   3.868   2.754
  109    HG   LEU  34           HG       LEU  34  -2.870   2.461   3.657
  110   1HD1  LEU  34          1HD1      LEU  34  -4.725   1.393   4.828
  111   2HD1  LEU  34          2HD1      LEU  34  -4.072   0.349   3.567
  112   3HD1  LEU  34          3HD1      LEU  34  -5.587   1.214   3.301
  113   1HD2  LEU  34          1HD2      LEU  34  -4.613   2.234   1.206
  114   2HD2  LEU  34          2HD2      LEU  34  -3.099   1.373   1.492
  115   3HD2  LEU  34          3HD2      LEU  34  -3.098   3.128   1.310
  116    H    VAL  35           H        VAL  35  -5.261   6.988   3.292
  117    HA   VAL  35           HA       VAL  35  -4.685   8.082   5.896
  118    HB   VAL  35           HB       VAL  35  -6.812   8.961   3.964
  119   1HG1  VAL  35          1HG1      VAL  35  -6.564  11.135   5.090
  120   2HG1  VAL  35          2HG1      VAL  35  -5.412  10.408   6.209
  121   3HG1  VAL  35          3HG1      VAL  35  -7.092   9.869   6.198
  122   1HG2  VAL  35          1HG2      VAL  35  -4.604   8.895   2.892
  123   2HG2  VAL  35          2HG2      VAL  35  -3.967   9.921   4.178
  124   3HG2  VAL  35          3HG2      VAL  35  -5.202  10.544   3.082
  125    H    GLU  36           H        GLU  36  -5.361   6.572   7.305
  126    HA   GLU  36           HA       GLU  36  -7.752   5.178   7.309
  127   1HB   GLU  36          2HB       GLU  36  -6.103   6.008   9.698
  128   2HB   GLU  36          1HB       GLU  36  -7.302   4.720   9.669
  129   1HG   GLU  36          2HG       GLU  36  -5.950   3.585   7.920
  130   2HG   GLU  36          1HG       GLU  36  -4.712   4.819   8.142
  131    HA   PRO  37           HA       PRO  37  -9.799   8.670   9.928
  132   1HB   PRO  37          2HB       PRO  37  -8.639  11.107   9.999
  133   2HB   PRO  37          1HB       PRO  37  -8.246   9.841  11.167
  134   1HG   PRO  37          2HG       PRO  37  -6.761  10.664   8.702
  135   2HG   PRO  37          1HG       PRO  37  -6.126  10.316  10.323
  136   1HD   PRO  37          2HD       PRO  37  -6.036   8.515   8.302
  137   2HD   PRO  37          1HD       PRO  37  -6.210   8.037  10.002
  138    H    ARG  38           H        ARG  38 -10.033   8.017   7.262
  139    HA   ARG  38           HA       ARG  38 -11.674  10.060   6.263
  140   1HB   ARG  38          2HB       ARG  38  -9.448  11.108   5.741
  141   2HB   ARG  38          1HB       ARG  38  -9.100   9.733   4.702
  142   1HG   ARG  38          2HG       ARG  38  -9.852  11.677   3.428
  143   2HG   ARG  38          1HG       ARG  38 -10.959  10.317   3.255
  144   1HD   ARG  38          2HD       ARG  38 -12.578  11.313   4.632
  145   2HD   ARG  38          1HD       ARG  38 -11.426  12.469   5.294
  146    HE   ARG  38           HE       ARG  38 -11.433  13.533   3.059
  147   1HH1  ARG  38          1HH1      ARG  38 -14.121  11.455   3.911
  148   2HH1  ARG  38          2HH1      ARG  38 -15.265  12.324   2.941
  149   1HH2  ARG  38          1HH2      ARG  38 -12.942  14.705   1.790
  150   2HH2  ARG  38          2HH2      ARG  38 -14.603  14.176   1.737
  151    H    MET  39           H        MET  39  -9.571   7.344   5.438
  152    HA   MET  39           HA       MET  39 -11.479   6.258   3.555
  153   1HB   MET  39          2HB       MET  39  -9.134   5.888   3.103
  154   2HB   MET  39          1HB       MET  39  -8.894   5.178   4.692
  155   1HG   MET  39          2HG       MET  39 -10.289   3.285   4.076
  156   2HG   MET  39          1HG       MET  39 -10.584   4.002   2.494
  157   1HE   MET  39          1HE       MET  39  -8.746   4.271   0.622
  158   2HE   MET  39          2HE       MET  39  -7.047   3.850   0.839
  159   3HE   MET  39          3HE       MET  39  -7.743   5.200   1.737
  160    H    GLY  40           H        GLY  40  -9.980   4.853   6.470
  161   1HA   GLY  40          2HA       GLY  40 -11.478   4.243   8.335
  162   2HA   GLY  40          1HA       GLY  40 -12.610   3.679   7.114
  163    H    ARG  41           H        ARG  41 -12.245   1.890   8.817
  164    HA   ARG  41           HA       ARG  41  -9.842   0.287   8.365
  165   1HB   ARG  41          2HB       ARG  41 -10.506  -1.106  10.136
  166   2HB   ARG  41          1HB       ARG  41 -10.950   0.514  10.646
  167   1HG   ARG  41          2HG       ARG  41 -13.245   0.116  10.209
  168   2HG   ARG  41          1HG       ARG  41 -12.887  -1.405   9.387
  169   1HD   ARG  41          2HD       ARG  41 -11.943  -2.253  11.528
  170   2HD   ARG  41          1HD       ARG  41 -12.518  -0.782  12.307
  171    HE   ARG  41           HE       ARG  41 -14.605  -2.137  10.907
  172   1HH1  ARG  41          1HH1      ARG  41 -12.723  -2.167  13.865
  173   2HH1  ARG  41          2HH1      ARG  41 -13.969  -2.959  14.789
  174   1HH2  ARG  41          1HH2      ARG  41 -16.227  -3.183  12.125
  175   2HH2  ARG  41          2HH2      ARG  41 -15.947  -3.533  13.805
  176    H    SER  42           H        SER  42 -13.049   0.509   7.210
  177    HA   SER  42           HA       SER  42 -13.628  -2.153   6.602
  178   1HB   SER  42          2HB       SER  42 -15.082  -0.916   4.758
  179   2HB   SER  42          1HB       SER  42 -15.485  -0.801   6.472
  180    HG   SER  42           HG       SER  42 -14.015   1.090   4.923
  181    H    ARG  43           H        ARG  43 -12.423   0.385   4.359
  182    HA   ARG  43           HA       ARG  43 -11.835  -1.597   2.363
  183   1HB   ARG  43          2HB       ARG  43 -12.426   0.820   1.875
  184   2HB   ARG  43          1HB       ARG  43 -10.816   1.239   2.444
  185   1HG   ARG  43          2HG       ARG  43  -9.889  -0.293   0.702
  186   2HG   ARG  43          1HG       ARG  43 -11.525  -0.464   0.067
  187   1HD   ARG  43          2HD       ARG  43 -11.562   2.067  -0.095
  188   2HD   ARG  43          1HD       ARG  43  -9.826   2.005   0.206
  189    HE   ARG  43           HE       ARG  43  -9.596   0.759  -1.860
  190   1HH1  ARG  43          1HH1      ARG  43 -12.595   2.524  -1.365
  191   2HH1  ARG  43          2HH1      ARG  43 -13.027   2.495  -3.059
  192   1HH2  ARG  43          1HH2      ARG  43 -10.175   0.737  -4.087
  193   2HH2  ARG  43          2HH2      ARG  43 -11.667   1.466  -4.584
  194    H    ARG  44           H        ARG  44 -10.135   0.122   4.871
  195    HA   ARG  44           HA       ARG  44  -7.499  -0.248   4.146
  196   1HB   ARG  44          2HB       ARG  44  -8.394   0.972   6.193
  197   2HB   ARG  44          1HB       ARG  44  -8.487  -0.600   6.974
  198   1HG   ARG  44          2HG       ARG  44  -5.952  -0.687   6.122
  199   2HG   ARG  44          1HG       ARG  44  -6.136   1.057   6.325
  200   1HD   ARG  44          2HD       ARG  44  -7.211   0.320   8.623
  201   2HD   ARG  44          1HD       ARG  44  -6.228  -1.120   8.357
  202    HE   ARG  44           HE       ARG  44  -5.318   1.522   9.050
  203   1HH1  ARG  44          1HH1      ARG  44  -4.371  -1.569   7.672
  204   2HH1  ARG  44          2HH1      ARG  44  -2.679  -1.316   7.970
  205   1HH2  ARG  44          1HH2      ARG  44  -3.104   1.868   9.400
  206   2HH2  ARG  44          2HH2      ARG  44  -1.952   0.649   8.930
  207    H    ALA  45           H        ALA  45  -9.387  -2.388   6.307
  208    HA   ALA  45           HA       ALA  45  -7.440  -4.361   6.512
  209   1HB   ALA  45          1HB       ALA  45 -10.431  -4.659   6.724
  210   2HB   ALA  45          2HB       ALA  45  -9.341  -4.181   8.024
  211   3HB   ALA  45          3HB       ALA  45  -9.234  -5.801   7.336
  212    H    PHE  46           H        PHE  46 -10.252  -4.192   4.367
  213    HA   PHE  46           HA       PHE  46  -9.944  -6.576   3.048
  214   1HB   PHE  46          2HB       PHE  46 -11.857  -5.782   2.224
  215   2HB   PHE  46          1HB       PHE  46 -11.434  -4.141   2.683
  216    HD1  PHE  46           1HD      PHE  46 -11.382  -6.616  -0.024
  217    HD2  PHE  46           2HD      PHE  46 -10.570  -2.603   1.106
  218    HE1  PHE  46           1HE      PHE  46 -11.194  -5.990  -2.394
  219    HE2  PHE  46           2HE      PHE  46 -10.379  -1.965  -1.246
  220    HZ   PHE  46           HZ       PHE  46 -10.692  -3.659  -3.013
  221    H    LEU  47           H        LEU  47  -8.374  -3.473   2.197
  222    HA   LEU  47           HA       LEU  47  -6.951  -4.733   0.017
  223   1HB   LEU  47          2HB       LEU  47  -6.015  -2.626  -0.434
  224   2HB   LEU  47          1HB       LEU  47  -7.668  -2.312   0.062
  225    HG   LEU  47           HG       LEU  47  -6.420  -2.074   2.431
  226   1HD1  LEU  47          1HD1      LEU  47  -4.439  -1.086   0.375
  227   2HD1  LEU  47          2HD1      LEU  47  -4.198  -2.422   1.501
  228   3HD1  LEU  47          3HD1      LEU  47  -4.365  -0.777   2.108
  229   1HD2  LEU  47          1HD2      LEU  47  -6.682   0.110   0.362
  230   2HD2  LEU  47          2HD2      LEU  47  -6.612   0.326   2.110
  231   3HD2  LEU  47          3HD2      LEU  47  -7.988  -0.498   1.384
  232    H    THR  48           H        THR  48  -6.394  -4.169   3.420
  233    HA   THR  48           HA       THR  48  -3.579  -4.254   3.356
  234    HB   THR  48           HB       THR  48  -5.461  -5.064   5.586
  235    HG1  THR  48           1HG      THR  48  -5.401  -2.800   4.814
  236   1HG2  THR  48          1HG2      THR  48  -3.281  -6.099   5.922
  237   2HG2  THR  48          2HG2      THR  48  -3.507  -4.773   7.063
  238   3HG2  THR  48          3HG2      THR  48  -2.486  -4.549   5.643
  239    H    GLY  49           H        GLY  49  -5.931  -6.845   4.122
  240   1HA   GLY  49          2HA       GLY  49  -4.057  -8.930   4.197
  241   2HA   GLY  49          1HA       GLY  49  -5.768  -9.121   3.833
  242    H    LEU  50           H        LEU  50  -6.006  -7.709   1.539
  243    HA   LEU  50           HA       LEU  50  -5.124  -9.532  -0.413
  244   1HB   LEU  50          2HB       LEU  50  -6.156  -6.723  -0.670
  245   2HB   LEU  50          1HB       LEU  50  -5.720  -7.687  -2.070
  246    HG   LEU  50           HG       LEU  50  -7.880  -8.310  -0.054
  247   1HD1  LEU  50          1HD1      LEU  50  -7.984  -7.585  -2.978
  248   2HD1  LEU  50          2HD1      LEU  50  -8.499  -6.577  -1.626
  249   3HD1  LEU  50          3HD1      LEU  50  -9.365  -8.066  -1.994
  250   1HD2  LEU  50          1HD2      LEU  50  -8.386 -10.251  -1.441
  251   2HD2  LEU  50          2HD2      LEU  50  -6.757 -10.357  -0.775
  252   3HD2  LEU  50          3HD2      LEU  50  -6.992  -9.897  -2.461
  253    H    ALA  51           H        ALA  51  -3.986  -6.200   0.129
  254    HA   ALA  51           HA       ALA  51  -2.016  -6.251  -1.853
  255   1HB   ALA  51          1HB       ALA  51  -1.291  -4.176  -1.015
  256   2HB   ALA  51          2HB       ALA  51  -1.899  -4.532   0.603
  257   3HB   ALA  51          3HB       ALA  51  -3.034  -4.244  -0.720
  258    H    ARG  52           H        ARG  52  -1.806  -7.123   1.574
  259    HA   ARG  52           HA       ARG  52   0.998  -7.332   1.718
  260   1HB   ARG  52          2HB       ARG  52  -1.158  -8.807   3.235
  261   2HB   ARG  52          1HB       ARG  52   0.554  -8.961   3.594
  262   1HG   ARG  52          2HG       ARG  52   0.627  -6.518   4.026
  263   2HG   ARG  52          1HG       ARG  52  -1.124  -6.475   3.806
  264   1HD   ARG  52          2HD       ARG  52   0.419  -7.981   5.913
  265   2HD   ARG  52          1HD       ARG  52  -0.659  -6.606   6.154
  266    HE   ARG  52           HE       ARG  52  -2.342  -8.360   5.092
  267   1HH1  ARG  52          1HH1      ARG  52   0.066  -8.763   7.589
  268   2HH1  ARG  52          2HH1      ARG  52  -0.772 -10.066   8.377
  269   1HH2  ARG  52          1HH2      ARG  52  -3.479 -10.074   6.146
  270   2HH2  ARG  52          2HH2      ARG  52  -2.772 -10.830   7.544
  271    H    SER  53           H        SER  53  -1.493  -9.661   0.813
  272    HA   SER  53           HA       SER  53   0.325 -11.845   0.503
  273   1HB   SER  53          2HB       SER  53  -2.083 -12.125   1.053
  274   2HB   SER  53          1HB       SER  53  -2.498 -11.515  -0.547
  275    HG   SER  53           HG       SER  53  -2.357 -13.914  -0.170
  276    H    LYS  54           H        LYS  54  -0.819  -9.269  -1.515
  277    HA   LYS  54           HA       LYS  54  -0.179 -10.473  -4.019
  278   1HB   LYS  54          2HB       LYS  54  -0.498  -7.553  -3.310
  279   2HB   LYS  54          1HB       LYS  54  -0.404  -8.193  -4.943
  280   1HG   LYS  54          2HG       LYS  54  -2.570  -8.818  -2.948
  281   2HG   LYS  54          1HG       LYS  54  -2.694  -7.660  -4.273
  282   1HD   LYS  54          2HD       LYS  54  -2.336  -9.470  -5.878
  283   2HD   LYS  54          1HD       LYS  54  -2.218 -10.623  -4.548
  284   1HE   LYS  54          2HE       LYS  54  -4.513 -10.080  -3.881
  285   2HE   LYS  54          1HE       LYS  54  -4.627  -8.932  -5.214
  286   1HZ   LYS  54          1HZ       LYS  54  -4.232 -11.869  -5.470
  287   2HZ   LYS  54          2HZ       LYS  54  -4.311 -10.772  -6.763
  288   3HZ   LYS  54          3HZ       LYS  54  -5.670 -11.025  -5.780
  289    H    GLY  55           H        GLY  55   1.446  -7.905  -2.119
  290   1HA   GLY  55          2HA       GLY  55   3.993  -8.551  -2.233
  291   2HA   GLY  55          1HA       GLY  55   3.746  -8.127  -3.919
  292    H    PHE  56           H        PHE  56   2.441  -6.504  -0.991
  293    HA   PHE  56           HA       PHE  56   3.881  -4.123  -1.960
  294   1HB   PHE  56          2HB       PHE  56   0.981  -4.172  -1.122
  295   2HB   PHE  56          1HB       PHE  56   1.887  -2.758  -1.659
  296    HD1  PHE  56           1HD      PHE  56   3.038  -3.020  -4.017
  297    HD2  PHE  56           2HD      PHE  56  -0.273  -5.321  -2.664
  298    HE1  PHE  56           1HE      PHE  56   2.448  -3.538  -6.342
  299    HE2  PHE  56           2HE      PHE  56  -0.862  -5.844  -4.991
  300    HZ   PHE  56           HZ       PHE  56   0.501  -4.952  -6.833
  301    H    ARG  57           H        ARG  57   4.457  -2.579  -0.512
  302    HA   ARG  57           HA       ARG  57   4.438  -3.378   2.301
  303   1HB   ARG  57          2HB       ARG  57   6.584  -2.705   1.346
  304   2HB   ARG  57          1HB       ARG  57   5.899  -1.152   0.897
  305   1HG   ARG  57          2HG       ARG  57   5.417  -0.972   3.467
  306   2HG   ARG  57          1HG       ARG  57   6.723  -2.158   3.566
  307   1HD   ARG  57          2HD       ARG  57   8.102  -0.619   2.149
  308   2HD   ARG  57          1HD       ARG  57   6.826   0.583   2.320
  309    HE   ARG  57           HE       ARG  57   7.578  -0.287   4.876
  310   1HH1  ARG  57          1HH1      ARG  57   8.975   1.485   2.183
  311   2HH1  ARG  57          2HH1      ARG  57   9.982   2.463   3.197
  312   1HH2  ARG  57          1HH2      ARG  57   8.944   1.003   6.192
  313   2HH2  ARG  57          2HH2      ARG  57   9.967   2.202   5.448
  314    H    VAL  58           H        VAL  58   2.459  -2.737   3.137
  315    HA   VAL  58           HA       VAL  58   1.520  -0.148   2.910
  316    HB   VAL  58           HB       VAL  58   1.202  -2.227   5.037
  317   1HG1  VAL  58          1HG1      VAL  58  -0.362   0.332   4.666
  318   2HG1  VAL  58          2HG1      VAL  58   0.714  -0.053   6.008
  319   3HG1  VAL  58          3HG1      VAL  58  -0.783  -0.959   5.791
  320   1HG2  VAL  58          1HG2      VAL  58   0.321  -2.927   2.902
  321   2HG2  VAL  58          2HG2      VAL  58  -0.591  -1.426   2.749
  322   3HG2  VAL  58          3HG2      VAL  58  -1.014  -2.592   4.003
  323    H    LEU  59           H        LEU  59   2.198   1.653   3.759
  324    HA   LEU  59           HA       LEU  59   4.510   1.657   5.535
  325   1HB   LEU  59          2HB       LEU  59   4.439   2.905   3.368
  326   2HB   LEU  59          1HB       LEU  59   3.136   3.876   4.001
  327    HG   LEU  59           HG       LEU  59   5.536   4.828   3.940
  328   1HD1  LEU  59          1HD1      LEU  59   3.915   5.026   6.467
  329   2HD1  LEU  59          2HD1      LEU  59   3.595   5.908   4.970
  330   3HD1  LEU  59          3HD1      LEU  59   5.087   6.202   5.868
  331   1HD2  LEU  59          1HD2      LEU  59   5.680   3.229   6.489
  332   2HD2  LEU  59          2HD2      LEU  59   6.851   4.427   5.938
  333   3HD2  LEU  59          3HD2      LEU  59   6.627   2.932   5.029
  334    H    ASP  60           H        ASP  60   4.399   2.389   7.629
  335    HA   ASP  60           HA       ASP  60   1.724   2.644   8.713
  336   1HB   ASP  60          2HB       ASP  60   4.428   2.425  10.035
  337   2HB   ASP  60          1HB       ASP  60   2.919   2.593  10.928
  338    H    ALA  61           H        ALA  61   1.688   4.192  10.778
  339    HA   ALA  61           HA       ALA  61   1.671   6.795   9.543
  340   1HB   ALA  61          1HB       ALA  61   0.843   5.966  12.324
  341   2HB   ALA  61          2HB       ALA  61  -0.213   6.055  10.913
  342   3HB   ALA  61          3HB       ALA  61   0.514   7.523  11.563
  343    H    CYS  62           H        CYS  62   2.479   8.702  10.637
  344    HA   CYS  62           HA       CYS  62   4.060   9.994  11.605
  345   1HB   CYS  62          2HB       CYS  62   4.792   7.521  13.184
  346   2HB   CYS  62          1HB       CYS  62   5.333   9.160  13.533
  347    HG   CYS  62           HG       CYS  62   3.453   9.487  15.244
  348    H    SER  63           H        SER  63   4.607   7.698   9.468
  349    HA   SER  63           HA       SER  63   7.492   8.211   9.337
  350   1HB   SER  63          2HB       SER  63   6.950   5.828   9.363
  351   2HB   SER  63          1HB       SER  63   5.850   6.043   8.000
  352    HG   SER  63           HG       SER  63   8.201   5.313   7.682
  353    H    SER  64           H        SER  64   8.156   9.635   7.893
  354    HA   SER  64           HA       SER  64   6.342  10.514   5.789
  355   1HB   SER  64          2HB       SER  64   9.078  11.579   6.523
  356   2HB   SER  64          1HB       SER  64   7.891  12.352   5.466
  357    HG   SER  64           HG       SER  64   8.107  12.553   8.102
  358    H    GLU  65           H        GLU  65   8.247   8.014   6.081
  359    HA   GLU  65           HA       GLU  65   9.879   8.148   3.720
  360   1HB   GLU  65          2HB       GLU  65  10.476   6.849   5.755
  361   2HB   GLU  65          1HB       GLU  65   9.109   5.791   5.457
  362   1HG   GLU  65          2HG       GLU  65  10.113   4.978   3.432
  363   2HG   GLU  65          1HG       GLU  65  11.437   6.135   3.586
  364    H    ALA  66           H        ALA  66   6.687   8.057   4.011
  365    HA   ALA  66           HA       ALA  66   5.888   5.924   2.326
  366   1HB   ALA  66          1HB       ALA  66   3.740   6.954   2.277
  367   2HB   ALA  66          2HB       ALA  66   4.412   8.506   2.781
  368   3HB   ALA  66          3HB       ALA  66   4.394   7.149   3.903
  369    H    THR  67           H        THR  67   5.367   5.898   0.181
  370    HA   THR  67           HA       THR  67   5.801   8.295  -1.406
  371    HB   THR  67           HB       THR  67   7.980   7.194  -1.465
  372    HG1  THR  67           1HG      THR  67   8.142   7.570  -3.548
  373   1HG2  THR  67          1HG2      THR  67   8.254   4.945  -2.429
  374   2HG2  THR  67          2HG2      THR  67   6.498   4.768  -2.464
  375   3HG2  THR  67          3HG2      THR  67   7.337   4.924  -0.921
  376    H    HIS  68           H        HIS  68   3.377   7.911  -1.270
  377    HA   HIS  68           HA       HIS  68   1.932   7.104  -3.187
  378   1HB   HIS  68          2HB       HIS  68   2.939   4.548  -2.028
  379   2HB   HIS  68          1HB       HIS  68   1.237   4.600  -2.473
  380    HD1  HIS  68           1HD      HIS  68   1.294   6.074  -5.117
  381    HD2  HIS  68           2HD      HIS  68   4.151   3.256  -4.067
  382    HE1  HIS  68           1HE      HIS  68   2.318   5.321  -7.279
  383    HE2  HIS  68           2HE      HIS  68   4.231   3.832  -6.588
  384    H    VAL  69           H        VAL  69   0.565   8.597  -2.035
  385    HA   VAL  69           HA       VAL  69  -0.825   7.422   0.261
  386    HB   VAL  69           HB       VAL  69  -0.860  10.230  -0.867
  387   1HG1  VAL  69          1HG1      VAL  69  -2.288   9.099   1.536
  388   2HG1  VAL  69          2HG1      VAL  69  -3.045   9.617   0.029
  389   3HG1  VAL  69          3HG1      VAL  69  -2.247  10.800   1.067
  390   1HG2  VAL  69          1HG2      VAL  69   1.200   9.650   0.343
  391   2HG2  VAL  69          2HG2      VAL  69   0.237   9.149   1.734
  392   3HG2  VAL  69          3HG2      VAL  69   0.244  10.839   1.230
  393    H    VAL  70           H        VAL  70  -2.484   6.184  -0.343
  394    HA   VAL  70           HA       VAL  70  -4.053   6.941  -2.720
  395    HB   VAL  70           HB       VAL  70  -4.780   4.465  -2.533
  396   1HG1  VAL  70          1HG1      VAL  70  -1.921   5.090  -3.246
  397   2HG1  VAL  70          2HG1      VAL  70  -3.315   5.336  -4.297
  398   3HG1  VAL  70          3HG1      VAL  70  -2.856   3.704  -3.811
  399   1HG2  VAL  70          1HG2      VAL  70  -3.935   4.008  -0.317
  400   2HG2  VAL  70          2HG2      VAL  70  -2.296   4.390  -0.843
  401   3HG2  VAL  70          3HG2      VAL  70  -3.126   2.979  -1.499
  402    H    MET  71           H        MET  71  -5.816   8.031  -2.082
  403    HA   MET  71           HA       MET  71  -7.229   7.178   0.361
  404   1HB   MET  71          2HB       MET  71  -7.372   9.854  -1.037
  405   2HB   MET  71          1HB       MET  71  -8.075   9.441   0.519
  406   1HG   MET  71          2HG       MET  71  -5.850   9.139   1.449
  407   2HG   MET  71          1HG       MET  71  -5.138   9.537  -0.112
  408   1HE   MET  71          1HE       MET  71  -7.497  12.540   2.489
  409   2HE   MET  71          2HE       MET  71  -7.201  10.862   2.948
  410   3HE   MET  71          3HE       MET  71  -8.281  11.233   1.602
  411    H    GLU  72           H        GLU  72  -9.422   6.763   0.291
  412    HA   GLU  72           HA       GLU  72 -10.679   6.814  -2.358
  413   1HB   GLU  72          2HB       GLU  72 -12.315   5.263  -1.516
  414   2HB   GLU  72          1HB       GLU  72 -10.720   4.657  -1.102
  415   1HG   GLU  72          2HG       GLU  72 -10.978   5.363   1.172
  416   2HG   GLU  72          1HG       GLU  72 -12.504   6.163   0.792
  417    H    GLU  73           H        GLU  73 -12.833   7.649  -2.559
  418    HA   GLU  73           HA       GLU  73 -14.363   9.319  -2.391
  419   1HB   GLU  73          2HB       GLU  73 -13.858   9.128   0.583
  420   2HB   GLU  73          1HB       GLU  73 -15.253   9.867  -0.188
  421   1HG   GLU  73          2HG       GLU  73 -15.785   7.611  -1.146
  422   2HG   GLU  73          1HG       GLU  73 -14.520   6.957  -0.106
  423    H    THR  74           H        THR  74 -11.415   9.930  -2.484
  424    HA   THR  74           HA       THR  74 -11.483  12.618  -1.292
  425    HB   THR  74           HB       THR  74  -9.073  10.821  -1.617
  426    HG1  THR  74           1HG      THR  74 -10.763  10.260   0.034
  427   1HG2  THR  74          1HG2      THR  74  -9.413  13.427  -0.141
  428   2HG2  THR  74          2HG2      THR  74  -8.567  13.224  -1.674
  429   3HG2  THR  74          3HG2      THR  74  -7.944  12.455  -0.213
  430    H    SER  75           H        SER  75 -11.388  14.190  -2.754
  431    HA   SER  75           HA       SER  75 -10.567  13.669  -5.457
  432   1HB   SER  75          2HB       SER  75 -11.282  16.295  -4.136
  433   2HB   SER  75          1HB       SER  75 -11.206  15.974  -5.868
  434    HG   SER  75           HG       SER  75 -13.344  15.910  -4.742
  435    H    ALA  76           H        ALA  76  -9.217  15.753  -6.340
  436    HA   ALA  76           HA       ALA  76  -6.566  15.176  -5.747
  437   1HB   ALA  76          1HB       ALA  76  -7.513  16.319  -7.801
  438   2HB   ALA  76          2HB       ALA  76  -5.983  16.945  -7.186
  439   3HB   ALA  76          3HB       ALA  76  -7.494  17.815  -6.852
  440    H    GLU  77           H        GLU  77  -8.309  18.172  -4.964
  441    HA   GLU  77           HA       GLU  77  -6.110  19.211  -3.511
  442   1HB   GLU  77          2HB       GLU  77  -7.528  21.121  -3.064
  443   2HB   GLU  77          1HB       GLU  77  -7.646  20.647  -4.748
  444   1HG   GLU  77          2HG       GLU  77  -9.665  20.207  -2.578
  445   2HG   GLU  77          1HG       GLU  77  -9.800  21.253  -3.982
  446    H    GLU  78           H        GLU  78  -9.215  17.774  -2.477
  447    HA   GLU  78           HA       GLU  78  -9.039  17.743   0.197
  448   1HB   GLU  78          2HB       GLU  78  -9.575  15.445  -1.670
  449   2HB   GLU  78          1HB       GLU  78  -9.702  15.262   0.071
  450   1HG   GLU  78          2HG       GLU  78 -11.241  17.293  -1.513
  451   2HG   GLU  78          1HG       GLU  78 -11.848  15.689  -1.101
  452    H    ALA  79           H        ALA  79  -7.260  15.366  -1.790
  453    HA   ALA  79           HA       ALA  79  -5.759  14.385   0.429
  454   1HB   ALA  79          1HB       ALA  79  -5.167  14.027  -2.500
  455   2HB   ALA  79          2HB       ALA  79  -6.311  13.047  -1.578
  456   3HB   ALA  79          3HB       ALA  79  -4.597  13.031  -1.159
  457    H    VAL  80           H        VAL  80  -5.348  17.057  -1.725
  458    HA   VAL  80           HA       VAL  80  -2.516  17.327  -1.396
  459    HB   VAL  80           HB       VAL  80  -4.630  19.276  -2.325
  460   1HG1  VAL  80          1HG1      VAL  80  -1.648  19.708  -2.175
  461   2HG1  VAL  80          2HG1      VAL  80  -2.867  20.551  -1.221
  462   3HG1  VAL  80          3HG1      VAL  80  -2.800  20.781  -2.970
  463   1HG2  VAL  80          1HG2      VAL  80  -2.392  17.870  -3.769
  464   2HG2  VAL  80          2HG2      VAL  80  -3.530  19.008  -4.488
  465   3HG2  VAL  80          3HG2      VAL  80  -4.106  17.463  -3.861
  466    H    SER  81           H        SER  81  -5.383  18.623   0.214
  467    HA   SER  81           HA       SER  81  -3.999  20.228   2.083
  468   1HB   SER  81          2HB       SER  81  -6.672  18.836   2.414
  469   2HB   SER  81          1HB       SER  81  -6.084  20.210   3.353
  470    HG   SER  81           HG       SER  81  -6.942  20.112   0.674
  471    H    TRP  82           H        TRP  82  -5.260  16.897   2.294
  472    HA   TRP  82           HA       TRP  82  -4.114  16.146   4.679
  473   1HB   TRP  82          2HB       TRP  82  -5.453  14.505   3.796
  474   2HB   TRP  82          1HB       TRP  82  -4.803  14.696   2.170
  475    HD1  TRP  82           HD       TRP  82  -3.075  12.989   1.413
  476    HE1  TRP  82           1HE      TRP  82  -1.736  11.125   2.543
  477    HE3  TRP  82           3HE      TRP  82  -4.321  13.917   6.285
  478    HZ2  TRP  82           2HZ      TRP  82  -1.253  10.161   5.140
  479    HZ3  TRP  82           3HZ      TRP  82  -3.371  12.468   8.034
  480    HH2  TRP  82           HH       TRP  82  -1.866  10.626   7.464
  481    H    GLN  83           H        GLN  83  -2.546  16.321   1.501
  482    HA   GLN  83           HA       GLN  83  -0.067  15.238   2.168
  483   1HB   GLN  83          2HB       GLN  83  -0.724  15.781  -0.120
  484   2HB   GLN  83          1HB       GLN  83  -0.704  17.497   0.265
  485   1HG   GLN  83          2HG       GLN  83   1.729  17.292   0.747
  486   2HG   GLN  83          1HG       GLN  83   1.650  15.628   0.166
  487   1HE2  GLN  83          1HE2      GLN  83  -0.257  18.193  -1.197
  488   2HE2  GLN  83          2HE2      GLN  83   0.574  18.279  -2.713
  489    H    GLU  84           H        GLU  84  -1.405  18.390   2.791
  490    HA   GLU  84           HA       GLU  84   0.983  19.593   3.739
  491   1HB   GLU  84          2HB       GLU  84  -1.923  20.235   4.111
  492   2HB   GLU  84          1HB       GLU  84  -0.658  21.177   4.896
  493   1HG   GLU  84          2HG       GLU  84  -0.899  20.722   1.934
  494   2HG   GLU  84          1HG       GLU  84  -1.428  22.173   2.787
  495    H    ARG  85           H        ARG  85  -1.437  17.545   5.219
  496    HA   ARG  85           HA       ARG  85  -0.433  17.814   7.891
  497   1HB   ARG  85          2HB       ARG  85  -2.078  15.622   6.601
  498   2HB   ARG  85          1HB       ARG  85  -1.701  15.709   8.315
  499   1HG   ARG  85          2HG       ARG  85  -3.123  17.934   6.916
  500   2HG   ARG  85          1HG       ARG  85  -3.977  16.536   7.579
  501   1HD   ARG  85          2HD       ARG  85  -2.111  18.303   9.134
  502   2HD   ARG  85          1HD       ARG  85  -3.867  18.462   9.145
  503    HE   ARG  85           HE       ARG  85  -2.289  16.278  10.313
  504   1HH1  ARG  85          1HH1      ARG  85  -5.411  17.777   9.778
  505   2HH1  ARG  85          2HH1      ARG  85  -6.177  16.913  11.076
  506   1HH2  ARG  85          1HH2      ARG  85  -3.301  15.126  12.000
  507   2HH2  ARG  85          2HH2      ARG  85  -4.985  15.410  12.334
  508    H    ARG  86           H        ARG  86   0.345  15.932   5.109
  509    HA   ARG  86           HA       ARG  86   2.075  14.024   6.323
  510   1HB   ARG  86          2HB       ARG  86   2.125  15.187   3.526
  511   2HB   ARG  86          1HB       ARG  86   3.099  13.825   4.054
  512   1HG   ARG  86          2HG       ARG  86   0.096  13.859   4.091
  513   2HG   ARG  86          1HG       ARG  86   1.067  13.214   2.768
  514   1HD   ARG  86          2HD       ARG  86   1.024  12.247   5.625
  515   2HD   ARG  86          1HD       ARG  86   0.365  11.411   4.216
  516    HE   ARG  86           HE       ARG  86   2.828  11.479   3.446
  517   1HH1  ARG  86          1HH1      ARG  86   1.800  11.177   6.780
  518   2HH1  ARG  86          2HH1      ARG  86   3.141  10.166   7.228
  519   1HH2  ARG  86          1HH2      ARG  86   4.613  10.178   4.052
  520   2HH2  ARG  86          2HH2      ARG  86   4.736   9.594   5.685
  521    H    MET  87           H        MET  87   2.615  17.126   4.745
  522    HA   MET  87           HA       MET  87   5.395  17.244   5.216
  523   1HB   MET  87          2HB       MET  87   3.377  19.394   4.590
  524   2HB   MET  87          1HB       MET  87   5.113  19.669   4.643
  525   1HG   MET  87          2HG       MET  87   3.756  17.712   2.802
  526   2HG   MET  87          1HG       MET  87   4.181  19.364   2.362
  527   1HE   MET  87          1HE       MET  87   5.252  15.742   2.388
  528   2HE   MET  87          2HE       MET  87   5.906  16.105   3.983
  529   3HE   MET  87          3HE       MET  87   6.996  15.758   2.642
  530    H    ALA  88           H        ALA  88   2.611  18.410   7.069
  531    HA   ALA  88           HA       ALA  88   3.964  20.005   8.900
  532   1HB   ALA  88          1HB       ALA  88   1.538  19.932   8.715
  533   2HB   ALA  88          2HB       ALA  88   2.058  19.652  10.376
  534   3HB   ALA  88          3HB       ALA  88   1.528  18.298   9.378
  535    H    ALA  89           H        ALA  89   3.780  16.534   8.685
  536    HA   ALA  89           HA       ALA  89   4.784  16.147  11.379
  537   1HB   ALA  89          1HB       ALA  89   4.286  14.143   9.178
  538   2HB   ALA  89          2HB       ALA  89   3.162  14.566  10.471
  539   3HB   ALA  89          3HB       ALA  89   4.685  13.763  10.854
  540    H    ALA  90           H        ALA  90   6.038  16.537   8.219
  541    HA   ALA  90           HA       ALA  90   8.602  15.306   8.927
  542   1HB   ALA  90          1HB       ALA  90   9.115  15.425   6.554
  543   2HB   ALA  90          2HB       ALA  90   7.608  16.290   6.253
  544   3HB   ALA  90          3HB       ALA  90   7.571  14.616   6.813
  545    HA   PRO  91           HA       PRO  91  10.499  19.309   9.605
  546   1HB   PRO  91          2HB       PRO  91  12.905  17.855   8.626
  547   2HB   PRO  91          1HB       PRO  91  12.684  18.788  10.111
  548   1HG   PRO  91          2HG       PRO  91  12.762  16.130  10.183
  549   2HG   PRO  91          1HG       PRO  91  11.633  17.031  11.212
  550   1HD   PRO  91          2HD       PRO  91  11.109  15.540   8.672
  551   2HD   PRO  91          1HD       PRO  91  10.116  15.648  10.140
  552    HA   PRO  92           HA       PRO  92   9.757  20.800   5.445
  553   1HB   PRO  92          2HB       PRO  92  11.407  22.983   6.678
  554   2HB   PRO  92          1HB       PRO  92   9.967  23.110   5.656
  555   1HG   PRO  92          2HG       PRO  92   9.718  23.374   8.263
  556   2HG   PRO  92          1HG       PRO  92   8.541  22.399   7.362
  557   1HD   PRO  92          2HD       PRO  92  10.759  21.517   9.145
  558   2HD   PRO  92          1HD       PRO  92   9.166  20.782   8.874
  559    H    GLY  93           H        GLY  93  10.828  20.104   3.768
  560   1HA   GLY  93          2HA       GLY  93  12.944  20.516   2.444
  561   2HA   GLY  93          1HA       GLY  93  13.769  19.977   3.906
  562    H    CYS  94           H        CYS  94  11.488  18.086   4.396
  563    HA   CYS  94           HA       CYS  94  12.560  15.812   3.044
  564   1HB   CYS  94          2HB       CYS  94  10.035  16.142   4.677
  565   2HB   CYS  94          1HB       CYS  94  10.655  14.598   4.104
  566    HG   CYS  94           HG       CYS  94  11.916  14.182   6.300
  567    H    THR  95           H        THR  95  11.943  14.851   1.212
  568    HA   THR  95           HA       THR  95  10.303  16.180  -0.651
  569    HB   THR  95           HB       THR  95  11.280  13.317  -0.673
  570    HG1  THR  95           1HG      THR  95  12.369  15.772  -1.620
  571   1HG2  THR  95          1HG2      THR  95  10.984  13.459  -3.113
  572   2HG2  THR  95          2HG2      THR  95  10.260  15.057  -2.924
  573   3HG2  THR  95          3HG2      THR  95   9.455  13.637  -2.255
  574    HA   PRO  96           HA       PRO  96   6.242  14.777   0.639
  575   1HB   PRO  96          2HB       PRO  96   5.543  15.691  -2.087
  576   2HB   PRO  96          1HB       PRO  96   4.876  16.188  -0.528
  577   1HG   PRO  96          2HG       PRO  96   6.483  17.802  -1.924
  578   2HG   PRO  96          1HG       PRO  96   6.554  17.736  -0.153
  579   1HD   PRO  96          2HD       PRO  96   8.379  16.496  -2.176
  580   2HD   PRO  96          1HD       PRO  96   8.773  17.279  -0.631
  581    HA   PRO  97           HA       PRO  97   6.082  10.806  -1.345
  582   1HB   PRO  97          2HB       PRO  97   3.582  10.074  -0.567
  583   2HB   PRO  97          1HB       PRO  97   4.977  10.062   0.522
  584   1HG   PRO  97          2HG       PRO  97   2.815  12.112   0.240
  585   2HG   PRO  97          1HG       PRO  97   3.566  11.469   1.713
  586   1HD   PRO  97          2HD       PRO  97   4.240  13.869   0.654
  587   2HD   PRO  97          1HD       PRO  97   5.398  12.851   1.533
  588    H    ALA  98           H        ALA  98   4.101   9.522  -2.449
  589    HA   ALA  98           HA       ALA  98   3.470  11.120  -4.803
  590   1HB   ALA  98          1HB       ALA  98   4.448   8.923  -5.195
  591   2HB   ALA  98          2HB       ALA  98   2.797   8.986  -5.819
  592   3HB   ALA  98          3HB       ALA  98   3.136   8.163  -4.296
  593    H    LEU  99           H        LEU  99   1.774  12.382  -4.255
  594    HA   LEU  99           HA       LEU  99  -0.505  11.459  -2.807
  595   1HB   LEU  99          2HB       LEU  99   0.463  13.866  -3.180
  596   2HB   LEU  99          1HB       LEU  99  -0.528  13.837  -4.625
  597    HG   LEU  99           HG       LEU  99  -2.533  13.548  -3.290
  598   1HD1  LEU  99          1HD1      LEU  99  -1.599  12.199  -1.487
  599   2HD1  LEU  99          2HD1      LEU  99  -2.440  13.612  -0.848
  600   3HD1  LEU  99          3HD1      LEU  99  -0.679  13.591  -0.916
  601   1HD2  LEU  99          1HD2      LEU  99  -1.757  15.801  -3.727
  602   2HD2  LEU  99          2HD2      LEU  99  -0.757  15.751  -2.274
  603   3HD2  LEU  99          3HD2      LEU  99  -2.516  15.700  -2.138
  604    H    LEU 100           H        LEU 100  -2.830  11.460  -4.008
  605    HA   LEU 100           HA       LEU 100  -2.944  10.433  -6.508
  606   1HB   LEU 100          2HB       LEU 100  -2.773   8.064  -4.683
  607   2HB   LEU 100          1HB       LEU 100  -2.791   8.122  -6.431
  608    HG   LEU 100           HG       LEU 100  -0.415   9.222  -5.010
  609   1HD1  LEU 100          1HD1      LEU 100  -0.832   7.118  -3.874
  610   2HD1  LEU 100          2HD1      LEU 100   0.554   6.961  -4.955
  611   3HD1  LEU 100          3HD1      LEU 100  -1.010   6.295  -5.422
  612   1HD2  LEU 100          1HD2      LEU 100   0.706   8.261  -6.989
  613   2HD2  LEU 100          2HD2      LEU 100  -0.547   9.420  -7.423
  614   3HD2  LEU 100          3HD2      LEU 100  -0.856   7.692  -7.575
  615    H    ASP 101           H        ASP 101  -4.606   8.391  -6.418
  616    HA   ASP 101           HA       ASP 101  -6.676   8.914  -4.406
  617   1HB   ASP 101          2HB       ASP 101  -8.406   8.556  -5.939
  618   2HB   ASP 101          1HB       ASP 101  -7.255   9.482  -6.890
  619    H    ILE 102           H        ILE 102  -7.977   6.196  -5.336
  620    HA   ILE 102           HA       ILE 102  -6.074   4.796  -3.594
  621    HB   ILE 102           HB       ILE 102  -8.039   5.106  -2.282
  622   1HG1  ILE 102          2HG1      ILE 102  -8.870   2.802  -1.952
  623   2HG1  ILE 102          1HG1      ILE 102  -8.111   2.319  -3.464
  624   1HG2  ILE 102          1HG2      ILE 102  -9.640   3.995  -4.584
  625   2HG2  ILE 102          2HG2      ILE 102  -9.555   5.695  -4.119
  626   3HG2  ILE 102          3HG2      ILE 102 -10.272   4.515  -3.019
  627   1HD1  ILE 102          1HD1      ILE 102  -6.729   3.259  -0.963
  628   2HD1  ILE 102          2HD1      ILE 102  -5.921   2.909  -2.492
  629   3HD1  ILE 102          3HD1      ILE 102  -6.758   1.622  -1.624
  630    H    SER 103           H        SER 103  -7.281   5.068  -6.625
  631    HA   SER 103           HA       SER 103  -7.943   2.354  -7.223
  632   1HB   SER 103          2HB       SER 103  -8.072   3.110  -9.571
  633   2HB   SER 103          1HB       SER 103  -8.967   4.167  -8.482
  634    HG   SER 103           HG       SER 103  -7.422   5.701  -8.661
  635    H    TRP 104           H        TRP 104  -4.966   4.197  -7.370
  636    HA   TRP 104           HA       TRP 104  -3.500   2.657  -9.148
  637   1HB   TRP 104          2HB       TRP 104  -2.403   4.593  -8.324
  638   2HB   TRP 104          1HB       TRP 104  -2.643   4.112  -6.645
  639    HD1  TRP 104           HD       TRP 104  -0.447   3.281  -9.696
  640    HE1  TRP 104           1HE      TRP 104   1.628   1.988  -8.882
  641    HE3  TRP 104           3HE      TRP 104  -1.710   2.721  -4.778
  642    HZ2  TRP 104           2HZ      TRP 104   2.600   0.886  -6.469
  643    HZ3  TRP 104           3HZ      TRP 104  -0.171   1.533  -3.276
  644    HH2  TRP 104           HH       TRP 104   1.949   0.639  -4.111
  645    H    LEU 105           H        LEU 105  -4.115   2.103  -5.713
  646    HA   LEU 105           HA       LEU 105  -2.353  -0.127  -5.548
  647   1HB   LEU 105          2HB       LEU 105  -2.985   1.316  -3.620
  648   2HB   LEU 105          1HB       LEU 105  -4.598   0.624  -3.680
  649    HG   LEU 105           HG       LEU 105  -3.759  -1.552  -3.082
  650   1HD1  LEU 105          1HD1      LEU 105  -1.372  -1.919  -2.618
  651   2HD1  LEU 105          2HD1      LEU 105  -1.016  -0.291  -3.198
  652   3HD1  LEU 105          3HD1      LEU 105  -1.654  -1.504  -4.310
  653   1HD2  LEU 105          1HD2      LEU 105  -2.558   0.610  -1.359
  654   2HD2  LEU 105          2HD2      LEU 105  -2.845  -1.059  -0.861
  655   3HD2  LEU 105          3HD2      LEU 105  -4.208  -0.008  -1.258
  656    H    THR 106           H        THR 106  -5.893   0.178  -5.624
  657    HA   THR 106           HA       THR 106  -6.490  -2.515  -5.765
  658    HB   THR 106           HB       THR 106  -8.566  -1.682  -7.084
  659    HG1  THR 106           1HG      THR 106  -8.179   0.306  -7.786
  660   1HG2  THR 106          1HG2      THR 106  -8.552  -2.205  -4.687
  661   2HG2  THR 106          2HG2      THR 106  -9.530  -0.776  -5.020
  662   3HG2  THR 106          3HG2      THR 106  -7.912  -0.597  -4.335
  663    H    GLU 107           H        GLU 107  -5.482  -0.352  -8.419
  664    HA   GLU 107           HA       GLU 107  -5.781  -2.259 -10.487
  665   1HB   GLU 107          2HB       GLU 107  -3.836   0.035 -10.211
  666   2HB   GLU 107          1HB       GLU 107  -3.935  -0.970 -11.645
  667   1HG   GLU 107          2HG       GLU 107  -6.390  -0.295 -11.738
  668   2HG   GLU 107          1HG       GLU 107  -5.959   0.955 -10.568
  669    H    SER 108           H        SER 108  -3.072  -1.487  -8.343
  670    HA   SER 108           HA       SER 108  -1.250  -3.319  -9.436
  671   1HB   SER 108          2HB       SER 108  -1.376  -2.248  -6.600
  672   2HB   SER 108          1HB       SER 108   0.029  -3.008  -7.353
  673    HG   SER 108           HG       SER 108  -1.235  -0.585  -8.151
  674    H    LEU 109           H        LEU 109  -3.417  -3.643  -6.589
  675    HA   LEU 109           HA       LEU 109  -3.024  -6.278  -5.972
  676   1HB   LEU 109          2HB       LEU 109  -5.661  -4.832  -6.032
  677   2HB   LEU 109          1HB       LEU 109  -5.330  -6.315  -5.159
  678    HG   LEU 109           HG       LEU 109  -4.375  -3.537  -4.565
  679   1HD1  LEU 109          1HD1      LEU 109  -5.630  -5.716  -2.925
  680   2HD1  LEU 109          2HD1      LEU 109  -6.457  -4.299  -3.574
  681   3HD1  LEU 109          3HD1      LEU 109  -5.203  -4.107  -2.346
  682   1HD2  LEU 109          1HD2      LEU 109  -2.843  -4.455  -2.916
  683   2HD2  LEU 109          2HD2      LEU 109  -2.390  -4.960  -4.542
  684   3HD2  LEU 109          3HD2      LEU 109  -3.213  -6.088  -3.466
  685    H    GLY 110           H        GLY 110  -4.566  -5.007  -8.799
  686   1HA   GLY 110          2HA       GLY 110  -6.063  -7.407  -9.398
  687   2HA   GLY 110          1HA       GLY 110  -5.881  -6.002 -10.440
  688    H    ALA 111           H        ALA 111  -3.051  -5.911 -10.430
  689    HA   ALA 111           HA       ALA 111  -2.581  -7.966 -12.422
  690   1HB   ALA 111          1HB       ALA 111  -1.977  -5.638 -12.896
  691   2HB   ALA 111          2HB       ALA 111  -0.575  -6.706 -12.969
  692   3HB   ALA 111          3HB       ALA 111  -0.823  -5.673 -11.562
  693    H    GLY 112           H        GLY 112  -1.561  -7.161  -9.183
  694   1HA   GLY 112          2HA       GLY 112  -0.661  -8.772  -7.688
  695   2HA   GLY 112          1HA       GLY 112  -0.094  -9.701  -9.070
  696    H    GLN 113           H        GLN 113   0.466  -6.390  -9.350
  697    HA   GLN 113           HA       GLN 113   3.012  -6.308  -8.010
  698   1HB   GLN 113          2HB       GLN 113   4.362  -5.956 -10.007
  699   2HB   GLN 113          1HB       GLN 113   3.580  -7.527 -10.097
  700   1HG   GLN 113          2HG       GLN 113   1.939  -6.676 -11.639
  701   2HG   GLN 113          1HG       GLN 113   2.592  -5.046 -11.480
  702   1HE2  GLN 113          1HE2      GLN 113   4.557  -4.541 -12.454
  703   2HE2  GLN 113          2HE2      GLN 113   5.260  -5.544 -13.676
  704    HA   PRO 114           HA       PRO 114   1.920  -2.032  -7.952
  705   1HB   PRO 114          2HB       PRO 114   4.391  -0.825  -8.067
  706   2HB   PRO 114          1HB       PRO 114   3.680  -1.509  -6.601
  707   1HG   PRO 114          2HG       PRO 114   5.738  -2.650  -8.428
  708   2HG   PRO 114          1HG       PRO 114   5.596  -2.779  -6.665
  709   1HD   PRO 114          2HD       PRO 114   4.904  -4.790  -8.365
  710   2HD   PRO 114          1HD       PRO 114   4.132  -4.544  -6.788
  711    H    VAL 115           H        VAL 115   0.908  -1.382  -9.725
  712    HA   VAL 115           HA       VAL 115   2.079  -1.476 -12.326
  713    HB   VAL 115           HB       VAL 115  -0.001  -0.386 -13.085
  714   1HG1  VAL 115          1HG1      VAL 115  -1.539  -2.176 -12.437
  715   2HG1  VAL 115          2HG1      VAL 115  -0.431  -2.657 -11.154
  716   3HG1  VAL 115          3HG1      VAL 115   0.060  -2.801 -12.841
  717   1HG2  VAL 115          1HG2      VAL 115  -0.712  -0.311 -10.155
  718   2HG2  VAL 115          2HG2      VAL 115  -1.797   0.080 -11.490
  719   3HG2  VAL 115          3HG2      VAL 115  -0.379   1.084 -11.180
  720    HA   PRO 116           HA       PRO 116   3.974   2.500 -12.720
  721   1HB   PRO 116          2HB       PRO 116   2.574   2.742 -15.323
  722   2HB   PRO 116          1HB       PRO 116   4.302   2.808 -14.964
  723   1HG   PRO 116          2HG       PRO 116   3.224   0.673 -16.149
  724   2HG   PRO 116          1HG       PRO 116   4.529   0.507 -14.959
  725   1HD   PRO 116          2HD       PRO 116   1.593   0.027 -14.638
  726   2HD   PRO 116          1HD       PRO 116   2.964  -0.877 -13.963
  727    H    VAL 117           H        VAL 117   3.185   4.100 -11.512
  728    HA   VAL 117           HA       VAL 117   0.427   4.705 -11.385
  729    HB   VAL 117           HB       VAL 117   1.723   5.053  -9.413
  730   1HG1  VAL 117          1HG1      VAL 117   3.896   5.493 -10.385
  731   2HG1  VAL 117          2HG1      VAL 117   3.472   6.779  -9.255
  732   3HG1  VAL 117          3HG1      VAL 117   3.339   7.052 -10.990
  733   1HG2  VAL 117          1HG2      VAL 117  -0.171   6.561  -9.740
  734   2HG2  VAL 117          2HG2      VAL 117   0.887   7.726 -10.537
  735   3HG2  VAL 117          3HG2      VAL 117   1.120   7.346  -8.831
  736    H    GLU 118           H        GLU 118  -0.624   5.580 -12.987
  737    HA   GLU 118           HA       GLU 118   0.422   7.496 -14.810
  738   1HB   GLU 118          2HB       GLU 118  -2.335   6.503 -14.130
  739   2HB   GLU 118          1HB       GLU 118  -2.115   7.851 -15.237
  740   1HG   GLU 118          2HG       GLU 118  -0.847   5.154 -15.612
  741   2HG   GLU 118          1HG       GLU 118  -2.388   5.631 -16.327
  742    H    CYS 119           H        CYS 119   0.298   9.677 -14.793
  743    HA   CYS 119           HA       CYS 119   0.011  11.167 -12.444
  744   1HB   CYS 119          2HB       CYS 119  -0.457  12.139 -15.276
  745   2HB   CYS 119          1HB       CYS 119  -0.010  13.122 -13.887
  746    HG   CYS 119           HG       CYS 119   2.186  12.897 -15.603
  747    H    ARG 120           H        ARG 120  -2.321   9.896 -14.635
  748    HA   ARG 120           HA       ARG 120  -4.523  11.573 -14.039
  749   1HB   ARG 120          2HB       ARG 120  -4.186   9.872 -15.955
  750   2HB   ARG 120          1HB       ARG 120  -4.748   8.673 -14.801
  751   1HG   ARG 120          2HG       ARG 120  -6.578   9.385 -16.180
  752   2HG   ARG 120          1HG       ARG 120  -6.836   9.952 -14.528
  753   1HD   ARG 120          2HD       ARG 120  -7.372  11.656 -16.249
  754   2HD   ARG 120          1HD       ARG 120  -6.117  12.169 -15.122
  755    HE   ARG 120           HE       ARG 120  -4.494  11.590 -16.910
  756   1HH1  ARG 120          1HH1      ARG 120  -7.823  12.259 -17.762
  757   2HH1  ARG 120          2HH1      ARG 120  -7.434  12.771 -19.385
  758   1HH2  ARG 120          1HH2      ARG 120  -3.976  12.317 -19.027
  759   2HH2  ARG 120          2HH2      ARG 120  -5.262  12.819 -20.086
  760    H    HIS 121           H        HIS 121  -3.094   8.826 -12.407
  761    HA   HIS 121           HA       HIS 121  -5.296   8.792 -10.454
  762   1HB   HIS 121          2HB       HIS 121  -2.993   6.894 -10.923
  763   2HB   HIS 121          1HB       HIS 121  -4.036   6.798  -9.507
  764    HD1  HIS 121           1HD      HIS 121  -3.794   4.598 -11.805
  765    HD2  HIS 121           2HD      HIS 121  -6.821   7.419 -11.373
  766    HE1  HIS 121           1HE      HIS 121  -5.794   3.641 -12.994
  767    HE2  HIS 121           2HE      HIS 121  -7.675   5.230 -12.455
  768    H    ARG 122           H        ARG 122  -2.140   9.854 -10.988
  769    HA   ARG 122           HA       ARG 122  -1.599  10.587  -8.243
  770   1HB   ARG 122          2HB       ARG 122   0.192   9.958  -9.947
  771   2HB   ARG 122          1HB       ARG 122  -0.135  11.505 -10.717
  772   1HG   ARG 122          2HG       ARG 122   0.475  12.665  -8.665
  773   2HG   ARG 122          1HG       ARG 122   0.805  11.116  -7.887
  774   1HD   ARG 122          2HD       ARG 122   2.562  10.673  -9.526
  775   2HD   ARG 122          1HD       ARG 122   2.228  12.220 -10.307
  776    HE   ARG 122           HE       ARG 122   2.713  13.001  -7.823
  777   1HH1  ARG 122          1HH1      ARG 122   4.448  10.792  -9.908
  778   2HH1  ARG 122          2HH1      ARG 122   5.982  11.048  -9.123
  779   1HH2  ARG 122          1HH2      ARG 122   4.718  13.363  -6.786
  780   2HH2  ARG 122          2HH2      ARG 122   6.147  12.560  -7.377
  781    H    LEU 123           H        LEU 123  -4.032  11.493  -9.123
  782    HA   LEU 123           HA       LEU 123  -4.036  13.777 -10.762
  783   1HB   LEU 123          2HB       LEU 123  -6.355  13.915 -10.396
  784   2HB   LEU 123          1HB       LEU 123  -5.943  12.215 -10.394
  785    HG   LEU 123           HG       LEU 123  -6.394  13.839  -7.888
  786   1HD1  LEU 123          1HD1      LEU 123  -8.435  13.744  -9.194
  787   2HD1  LEU 123          2HD1      LEU 123  -8.566  12.714  -7.770
  788   3HD1  LEU 123          3HD1      LEU 123  -8.273  11.997  -9.354
  789   1HD2  LEU 123          1HD2      LEU 123  -5.013  11.871  -7.525
  790   2HD2  LEU 123          2HD2      LEU 123  -6.204  10.862  -8.346
  791   3HD2  LEU 123          3HD2      LEU 123  -6.613  11.641  -6.817
  792    H    GLU 124           H        GLU 124  -2.803  13.808  -7.742
  793    HA   GLU 124           HA       GLU 124  -3.662  15.979  -6.361
  794   1HB   GLU 124          2HB       GLU 124  -1.236  16.453  -5.843
  795   2HB   GLU 124          1HB       GLU 124  -1.751  14.796  -5.565
  796   1HG   GLU 124          2HG       GLU 124  -0.621  14.003  -7.462
  797   2HG   GLU 124          1HG       GLU 124  -0.422  15.623  -8.123
  Start of MODEL    7
    1   1H    GLY  20          1HT       GLY  20  15.558  -9.745   5.331
    2   2H    GLY  20          2HT       GLY  20  14.992  -9.006   3.918
    3   3H    GLY  20          3HT       GLY  20  15.501 -10.627   3.883
    4   1HA   GLY  20          1HA       GLY  20  13.114 -10.555   3.871
    5   2HA   GLY  20          2HA       GLY  20  13.696 -11.230   5.389
    6    H    THR  21           H        THR  21  11.149 -10.090   5.019
    7    HA   THR  21           HA       THR  21  11.361  -7.684   6.703
    8    HB   THR  21           HB       THR  21   9.157  -7.004   5.609
    9    HG1  THR  21           1HG      THR  21   8.395  -8.487   4.310
   10   1HG2  THR  21          1HG2      THR  21  11.246  -5.859   5.111
   11   2HG2  THR  21          2HG2      THR  21  10.274  -6.020   3.648
   12   3HG2  THR  21          3HG2      THR  21  11.656  -7.084   3.912
   13    HA   PRO  22           HA       PRO  22   8.513  -9.683   9.548
   14   1HB   PRO  22          2HB       PRO  22   7.406  -6.958   9.904
   15   2HB   PRO  22          1HB       PRO  22   8.075  -8.062  11.113
   16   1HG   PRO  22          2HG       PRO  22   9.426  -5.899  10.337
   17   2HG   PRO  22          1HG       PRO  22  10.256  -7.427  10.678
   18   1HD   PRO  22          2HD       PRO  22   9.542  -6.206   8.036
   19   2HD   PRO  22          1HD       PRO  22  11.026  -7.054   8.523
   20    HA   PRO  23           HA       PRO  23   5.095 -10.592   7.029
   21   1HB   PRO  23          2HB       PRO  23   3.118 -10.932   8.948
   22   2HB   PRO  23          1HB       PRO  23   4.297 -12.153   8.464
   23   1HG   PRO  23          2HG       PRO  23   4.341 -10.295  10.806
   24   2HG   PRO  23          1HG       PRO  23   4.829 -12.000  10.713
   25   1HD   PRO  23          2HD       PRO  23   6.652 -10.054  10.739
   26   2HD   PRO  23          1HD       PRO  23   6.866 -11.489   9.713
   27    H    SER  24           H        SER  24   4.898  -7.873   9.121
   28    HA   SER  24           HA       SER  24   2.384  -6.826   8.503
   29   1HB   SER  24          2HB       SER  24   4.854  -5.143   8.891
   30   2HB   SER  24          1HB       SER  24   3.197  -4.794   9.388
   31    HG   SER  24           HG       SER  24   4.936  -5.671  10.963
   32    H    THR  25           H        THR  25   5.441  -6.731   6.753
   33    HA   THR  25           HA       THR  25   4.069  -5.522   4.460
   34    HB   THR  25           HB       THR  25   5.591  -3.787   4.136
   35    HG1  THR  25           1HG      THR  25   7.338  -5.513   5.316
   36   1HG2  THR  25          1HG2      THR  25   4.231  -3.277   6.085
   37   2HG2  THR  25          2HG2      THR  25   5.838  -2.566   6.232
   38   3HG2  THR  25          3HG2      THR  25   5.430  -4.024   7.138
   39    H    ARG  26           H        ARG  26   4.899  -6.241   2.455
   40    HA   ARG  26           HA       ARG  26   6.703  -8.532   2.766
   41   1HB   ARG  26          2HB       ARG  26   4.249  -8.509   1.676
   42   2HB   ARG  26          1HB       ARG  26   5.201  -8.168   0.238
   43   1HG   ARG  26          2HG       ARG  26   5.620 -10.525   2.064
   44   2HG   ARG  26          1HG       ARG  26   4.724 -10.566   0.545
   45   1HD   ARG  26          2HD       ARG  26   6.707 -10.035  -0.704
   46   2HD   ARG  26          1HD       ARG  26   7.621  -9.755   0.779
   47    HE   ARG  26           HE       ARG  26   6.870 -12.294   1.109
   48   1HH1  ARG  26          1HH1      ARG  26   8.270 -10.670  -1.675
   49   2HH1  ARG  26          2HH1      ARG  26   9.049 -12.107  -2.270
   50   1HH2  ARG  26          1HH2      ARG  26   7.947 -14.161   0.344
   51   2HH2  ARG  26          2HH2      ARG  26   8.881 -14.075  -1.118
   52    H    PHE  27           H        PHE  27   6.027  -6.026   0.289
   53    HA   PHE  27           HA       PHE  27   8.806  -6.406  -0.606
   54   1HB   PHE  27          2HB       PHE  27   7.188  -7.055  -2.297
   55   2HB   PHE  27          1HB       PHE  27   6.384  -5.496  -2.169
   56    HD1  PHE  27           1HD      PHE  27   9.639  -7.050  -3.063
   57    HD2  PHE  27           2HD      PHE  27   7.004  -3.746  -3.569
   58    HE1  PHE  27           1HE      PHE  27  11.095  -6.166  -4.835
   59    HE2  PHE  27           2HE      PHE  27   8.461  -2.855  -5.344
   60    HZ   PHE  27           HZ       PHE  27  10.477  -4.058  -5.997
   61    HA   PRO  28           HA       PRO  28   9.136  -2.116   0.754
   62   1HB   PRO  28          2HB       PRO  28  11.810  -2.129   1.072
   63   2HB   PRO  28          1HB       PRO  28  10.718  -2.834   2.272
   64   1HG   PRO  28          2HG       PRO  28  12.348  -4.193   0.162
   65   2HG   PRO  28          1HG       PRO  28  12.054  -4.680   1.841
   66   1HD   PRO  28          2HD       PRO  28  10.714  -5.720  -0.325
   67   2HD   PRO  28          1HD       PRO  28  10.064  -5.685   1.324
   68    H    GLY  29           H        GLY  29  10.351  -0.269  -0.200
   69   1HA   GLY  29          2HA       GLY  29  11.309   0.729  -2.167
   70   2HA   GLY  29          1HA       GLY  29  10.860  -0.717  -3.071
   71    H    VAL  30           H        VAL  30   8.288  -1.009  -2.010
   72    HA   VAL  30           HA       VAL  30   6.917   1.498  -2.711
   73    HB   VAL  30           HB       VAL  30   5.834  -1.313  -3.088
   74   1HG1  VAL  30          1HG1      VAL  30   4.073   0.173  -2.334
   75   2HG1  VAL  30          2HG1      VAL  30   3.858  -0.172  -4.051
   76   3HG1  VAL  30          3HG1      VAL  30   4.532   1.374  -3.542
   77   1HG2  VAL  30          1HG2      VAL  30   6.520   0.830  -5.099
   78   2HG2  VAL  30          2HG2      VAL  30   5.716  -0.694  -5.472
   79   3HG2  VAL  30          3HG2      VAL  30   7.375  -0.695  -4.863
   80    H    ALA  31           H        ALA  31   6.470   2.382  -0.833
   81    HA   ALA  31           HA       ALA  31   5.386   0.698   1.316
   82   1HB   ALA  31          1HB       ALA  31   6.916   3.292   1.515
   83   2HB   ALA  31          2HB       ALA  31   7.501   1.688   1.966
   84   3HB   ALA  31          3HB       ALA  31   6.188   2.441   2.876
   85    H    ILE  32           H        ILE  32   3.283   0.913   1.454
   86    HA   ILE  32           HA       ILE  32   2.022   3.276   0.273
   87    HB   ILE  32           HB       ILE  32   0.594   0.809   1.190
   88   1HG1  ILE  32          2HG1      ILE  32   1.987   1.273  -1.464
   89   2HG1  ILE  32          1HG1      ILE  32   2.463   0.098  -0.244
   90   1HG2  ILE  32          1HG2      ILE  32   0.030   2.869  -0.935
   91   2HG2  ILE  32          2HG2      ILE  32  -0.789   2.698   0.617
   92   3HG2  ILE  32          3HG2      ILE  32  -0.960   1.445  -0.614
   93   1HD1  ILE  32          1HD1      ILE  32  -0.098   0.079  -1.810
   94   2HD1  ILE  32          2HD1      ILE  32   0.392  -1.115  -0.607
   95   3HD1  ILE  32          3HD1      ILE  32   1.314  -0.934  -2.101
   96    H    TYR  33           H        TYR  33   1.594   4.834   1.684
   97    HA   TYR  33           HA       TYR  33   0.509   4.085   4.291
   98   1HB   TYR  33          2HB       TYR  33   2.351   5.739   4.261
   99   2HB   TYR  33          1HB       TYR  33   1.376   6.794   3.244
  100    HD1  TYR  33           1HD      TYR  33   0.232   8.507   4.271
  101    HD2  TYR  33           2HD      TYR  33   1.127   5.013   6.528
  102    HE1  TYR  33           1HE      TYR  33  -0.729   9.562   6.275
  103    HE2  TYR  33           2HE      TYR  33   0.172   6.059   8.536
  104    HH   TYR  33           HH       TYR  33  -1.698   8.889   8.435
  105    H    LEU  34           H        LEU  34  -1.509   4.716   4.905
  106    HA   LEU  34           HA       LEU  34  -3.249   5.579   2.715
  107   1HB   LEU  34          2HB       LEU  34  -3.948   3.396   4.679
  108   2HB   LEU  34          1HB       LEU  34  -4.960   3.994   3.379
  109    HG   LEU  34           HG       LEU  34  -2.846   3.202   1.940
  110   1HD1  LEU  34          1HD1      LEU  34  -2.032   1.064   2.791
  111   2HD1  LEU  34          2HD1      LEU  34  -2.923   1.319   4.293
  112   3HD1  LEU  34          3HD1      LEU  34  -1.593   2.395   3.862
  113   1HD2  LEU  34          1HD2      LEU  34  -4.125   1.178   1.466
  114   2HD2  LEU  34          2HD2      LEU  34  -5.166   2.598   1.571
  115   3HD2  LEU  34          3HD2      LEU  34  -5.095   1.454   2.912
  116    H    VAL  35           H        VAL  35  -4.598   7.158   3.272
  117    HA   VAL  35           HA       VAL  35  -4.626   8.075   6.012
  118    HB   VAL  35           HB       VAL  35  -6.323   9.134   3.770
  119   1HG1  VAL  35          1HG1      VAL  35  -6.205  11.233   5.030
  120   2HG1  VAL  35          2HG1      VAL  35  -5.241  10.426   6.266
  121   3HG1  VAL  35          3HG1      VAL  35  -6.909   9.930   5.986
  122   1HG2  VAL  35          1HG2      VAL  35  -4.559  10.697   3.210
  123   2HG2  VAL  35          2HG2      VAL  35  -3.966   9.043   3.044
  124   3HG2  VAL  35          3HG2      VAL  35  -3.516  10.003   4.453
  125    H    GLU  36           H        GLU  36  -5.552   6.276   6.966
  126    HA   GLU  36           HA       GLU  36  -7.935   5.029   6.325
  127   1HB   GLU  36          2HB       GLU  36  -6.285   4.167   7.938
  128   2HB   GLU  36          1HB       GLU  36  -6.762   5.412   9.083
  129   1HG   GLU  36          2HG       GLU  36  -8.950   4.460   9.302
  130   2HG   GLU  36          1HG       GLU  36  -8.622   3.299   8.016
  131    HA   PRO  37           HA       PRO  37 -10.247   8.303   9.196
  132   1HB   PRO  37          2HB       PRO  37  -9.072  10.792   8.990
  133   2HB   PRO  37          1HB       PRO  37  -8.912   9.712  10.377
  134   1HG   PRO  37          2HG       PRO  37  -7.047  10.133   8.075
  135   2HG   PRO  37          1HG       PRO  37  -6.674   9.944   9.800
  136   1HD   PRO  37          2HD       PRO  37  -6.343   7.921   8.094
  137   2HD   PRO  37          1HD       PRO  37  -6.966   7.637   9.734
  138    H    ARG  38           H        ARG  38  -8.996   8.268   6.099
  139    HA   ARG  38           HA       ARG  38 -11.252   9.887   5.123
  140   1HB   ARG  38          2HB       ARG  38  -8.451   9.674   4.027
  141   2HB   ARG  38          1HB       ARG  38  -9.795  10.195   3.025
  142   1HG   ARG  38          2HG       ARG  38  -8.942  11.548   5.576
  143   2HG   ARG  38          1HG       ARG  38  -8.463  12.057   3.957
  144   1HD   ARG  38          2HD       ARG  38 -11.266  11.962   5.069
  145   2HD   ARG  38          1HD       ARG  38 -10.314  13.406   4.724
  146    HE   ARG  38           HE       ARG  38 -10.647  11.757   2.414
  147   1HH1  ARG  38          1HH1      ARG  38 -12.162  14.241   4.370
  148   2HH1  ARG  38          2HH1      ARG  38 -13.247  14.741   3.110
  149   1HH2  ARG  38          1HH2      ARG  38 -12.069  12.420   0.764
  150   2HH2  ARG  38          2HH2      ARG  38 -13.196  13.711   1.056
  151    H    MET  39           H        MET  39 -11.355   7.145   5.782
  152    HA   MET  39           HA       MET  39 -12.538   6.103   3.458
  153   1HB   MET  39          2HB       MET  39 -11.073   4.187   3.057
  154   2HB   MET  39          1HB       MET  39 -10.189   5.683   2.809
  155   1HG   MET  39          2HG       MET  39  -9.163   5.437   5.014
  156   2HG   MET  39          1HG       MET  39 -10.048   3.930   5.251
  157   1HE   MET  39          1HE       MET  39  -7.133   5.739   3.352
  158   2HE   MET  39          2HE       MET  39  -8.259   5.385   2.040
  159   3HE   MET  39          3HE       MET  39  -6.707   4.548   2.121
  160    H    GLY  40           H        GLY  40 -12.495   3.426   4.077
  161   1HA   GLY  40          2HA       GLY  40 -13.499   3.360   6.848
  162   2HA   GLY  40          1HA       GLY  40 -14.288   2.504   5.530
  163    H    ARG  41           H        ARG  41 -13.166   1.491   8.053
  164    HA   ARG  41           HA       ARG  41 -10.701   0.192   7.645
  165   1HB   ARG  41          2HB       ARG  41 -11.183  -1.055   9.615
  166   2HB   ARG  41          1HB       ARG  41 -11.860   0.548   9.852
  167   1HG   ARG  41          2HG       ARG  41 -14.072  -0.238   9.493
  168   2HG   ARG  41          1HG       ARG  41 -13.489  -1.803   8.921
  169   1HD   ARG  41          2HD       ARG  41 -12.472  -2.130  11.200
  170   2HD   ARG  41          1HD       ARG  41 -13.349  -0.688  11.712
  171    HE   ARG  41           HE       ARG  41 -15.392  -2.039  10.859
  172   1HH1  ARG  41          1HH1      ARG  41 -12.595  -3.317  12.530
  173   2HH1  ARG  41          2HH1      ARG  41 -13.429  -4.725  13.123
  174   1HH2  ARG  41          1HH2      ARG  41 -16.511  -3.844  11.682
  175   2HH2  ARG  41          2HH2      ARG  41 -15.672  -5.011  12.656
  176    H    SER  42           H        SER  42 -13.960  -0.678   6.705
  177    HA   SER  42           HA       SER  42 -13.616  -3.435   6.343
  178   1HB   SER  42          2HB       SER  42 -15.811  -2.274   6.280
  179   2HB   SER  42          1HB       SER  42 -15.369  -1.570   4.725
  180    HG   SER  42           HG       SER  42 -16.408  -3.329   4.085
  181    H    ARG  43           H        ARG  43 -13.324  -0.799   3.959
  182    HA   ARG  43           HA       ARG  43 -12.219  -2.519   1.962
  183   1HB   ARG  43          2HB       ARG  43 -13.473  -0.272   1.661
  184   2HB   ARG  43          1HB       ARG  43 -11.920   0.471   2.010
  185   1HG   ARG  43          2HG       ARG  43 -12.146  -1.580  -0.157
  186   2HG   ARG  43          1HG       ARG  43 -12.639   0.086  -0.454
  187   1HD   ARG  43          2HD       ARG  43  -9.950  -0.557   0.709
  188   2HD   ARG  43          1HD       ARG  43 -10.227  -0.611  -1.031
  189    HE   ARG  43           HE       ARG  43 -10.640   1.727  -1.016
  190   1HH1  ARG  43          1HH1      ARG  43  -9.581   0.497   2.093
  191   2HH1  ARG  43          2HH1      ARG  43  -9.103   2.056   2.684
  192   1HH2  ARG  43          1HH2      ARG  43 -10.024   3.751  -0.241
  193   2HH2  ARG  43          2HH2      ARG  43  -9.359   3.907   1.352
  194    H    ARG  44           H        ARG  44 -10.915  -0.489   4.514
  195    HA   ARG  44           HA       ARG  44  -8.268  -0.356   3.540
  196   1HB   ARG  44          2HB       ARG  44  -9.476   0.901   5.545
  197   2HB   ARG  44          1HB       ARG  44  -8.747  -0.397   6.484
  198   1HG   ARG  44          2HG       ARG  44  -7.065   1.162   4.576
  199   2HG   ARG  44          1HG       ARG  44  -7.486   1.858   6.138
  200   1HD   ARG  44          2HD       ARG  44  -6.398  -0.912   6.064
  201   2HD   ARG  44          1HD       ARG  44  -5.289   0.432   5.796
  202    HE   ARG  44           HE       ARG  44  -7.002   0.630   8.141
  203   1HH1  ARG  44          1HH1      ARG  44  -3.853  -0.264   6.868
  204   2HH1  ARG  44          2HH1      ARG  44  -3.041  -0.067   8.396
  205   1HH2  ARG  44          1HH2      ARG  44  -5.953   0.855  10.129
  206   2HH2  ARG  44          2HH2      ARG  44  -4.247   0.527  10.254
  207    H    ALA  45           H        ALA  45  -9.532  -2.410   6.200
  208    HA   ALA  45           HA       ALA  45  -7.412  -4.151   6.348
  209   1HB   ALA  45          1HB       ALA  45  -9.242  -4.093   7.952
  210   2HB   ALA  45          2HB       ALA  45  -8.941  -5.734   7.377
  211   3HB   ALA  45          3HB       ALA  45 -10.315  -4.820   6.757
  212    H    PHE  46           H        PHE  46  -9.836  -3.980   3.944
  213    HA   PHE  46           HA       PHE  46  -9.622  -6.644   2.947
  214   1HB   PHE  46          2HB       PHE  46 -11.554  -5.837   2.098
  215   2HB   PHE  46          1HB       PHE  46 -11.019  -4.172   2.227
  216    HD1  PHE  46           1HD      PHE  46 -11.181  -7.124   0.106
  217    HD2  PHE  46           2HD      PHE  46 -10.032  -3.041   0.337
  218    HE1  PHE  46           1HE      PHE  46 -10.979  -7.055  -2.324
  219    HE2  PHE  46           2HE      PHE  46  -9.822  -2.959  -2.109
  220    HZ   PHE  46           HZ       PHE  46 -10.304  -4.861  -3.449
  221    H    LEU  47           H        LEU  47  -8.291  -3.551   1.846
  222    HA   LEU  47           HA       LEU  47  -6.517  -4.722  -0.057
  223   1HB   LEU  47          2HB       LEU  47  -5.628  -2.539  -0.332
  224   2HB   LEU  47          1HB       LEU  47  -7.362  -2.373  -0.129
  225    HG   LEU  47           HG       LEU  47  -6.568  -2.077   2.420
  226   1HD1  LEU  47          1HD1      LEU  47  -4.208  -2.243   1.896
  227   2HD1  LEU  47          2HD1      LEU  47  -4.612  -0.632   2.479
  228   3HD1  LEU  47          3HD1      LEU  47  -4.353  -0.905   0.758
  229   1HD2  LEU  47          1HD2      LEU  47  -8.075  -0.636   1.285
  230   2HD2  LEU  47          2HD2      LEU  47  -6.782   0.010   0.272
  231   3HD2  LEU  47          3HD2      LEU  47  -6.799   0.344   2.008
  232    H    THR  48           H        THR  48  -6.455  -4.609   3.326
  233    HA   THR  48           HA       THR  48  -3.658  -3.998   3.641
  234    HB   THR  48           HB       THR  48  -5.631  -5.166   5.623
  235    HG1  THR  48           1HG      THR  48  -5.889  -2.909   4.878
  236   1HG2  THR  48          1HG2      THR  48  -3.341  -5.812   6.188
  237   2HG2  THR  48          2HG2      THR  48  -3.949  -4.615   7.329
  238   3HG2  THR  48          3HG2      THR  48  -2.826  -4.133   6.062
  239    H    GLY  49           H        GLY  49  -5.602  -6.976   4.282
  240   1HA   GLY  49          2HA       GLY  49  -3.380  -8.687   4.314
  241   2HA   GLY  49          1HA       GLY  49  -5.045  -9.173   4.035
  242    H    LEU  50           H        LEU  50  -5.216  -7.379   1.675
  243    HA   LEU  50           HA       LEU  50  -4.330  -9.322  -0.245
  244   1HB   LEU  50          2HB       LEU  50  -5.659  -6.641  -0.531
  245   2HB   LEU  50          1HB       LEU  50  -5.126  -7.567  -1.920
  246    HG   LEU  50           HG       LEU  50  -7.208  -8.392   0.102
  247   1HD1  LEU  50          1HD1      LEU  50  -8.718  -8.308  -1.816
  248   2HD1  LEU  50          2HD1      LEU  50  -7.391  -7.757  -2.841
  249   3HD1  LEU  50          3HD1      LEU  50  -7.966  -6.741  -1.520
  250   1HD2  LEU  50          1HD2      LEU  50  -6.180  -9.906  -2.296
  251   2HD2  LEU  50          2HD2      LEU  50  -7.489 -10.406  -1.220
  252   3HD2  LEU  50          3HD2      LEU  50  -5.835 -10.302  -0.613
  253    H    ALA  51           H        ALA  51  -3.498  -5.896   0.315
  254    HA   ALA  51           HA       ALA  51  -1.593  -5.728  -1.739
  255   1HB   ALA  51          1HB       ALA  51  -0.988  -3.629  -0.827
  256   2HB   ALA  51          2HB       ALA  51  -1.563  -4.081   0.778
  257   3HB   ALA  51          3HB       ALA  51  -2.720  -3.829  -0.533
  258    H    ARG  52           H        ARG  52  -1.233  -6.540   1.689
  259    HA   ARG  52           HA       ARG  52   1.554  -6.728   1.790
  260   1HB   ARG  52          2HB       ARG  52  -0.624  -8.187   3.285
  261   2HB   ARG  52          1HB       ARG  52   1.079  -8.493   3.599
  262   1HG   ARG  52          2HG       ARG  52   1.436  -6.319   4.402
  263   2HG   ARG  52          1HG       ARG  52  -0.090  -5.734   3.740
  264   1HD   ARG  52          2HD       ARG  52  -0.152  -6.040   6.192
  265   2HD   ARG  52          1HD       ARG  52  -1.340  -7.023   5.340
  266    HE   ARG  52           HE       ARG  52   0.961  -8.568   5.713
  267   1HH1  ARG  52          1HH1      ARG  52  -1.457  -7.014   7.706
  268   2HH1  ARG  52          2HH1      ARG  52  -1.458  -8.269   8.908
  269   1HH2  ARG  52          1HH2      ARG  52   0.966 -10.221   7.316
  270   2HH2  ARG  52          2HH2      ARG  52  -0.089 -10.076   8.685
  271    H    SER  53           H        SER  53  -0.871  -9.118   0.834
  272    HA   SER  53           HA       SER  53   1.084 -11.147   0.331
  273   1HB   SER  53          2HB       SER  53  -1.820 -11.067  -0.504
  274   2HB   SER  53          1HB       SER  53  -0.792 -12.494  -0.377
  275    HG   SER  53           HG       SER  53  -2.022 -10.985   1.620
  276    H    LYS  54           H        LYS  54  -0.048  -8.481  -1.490
  277    HA   LYS  54           HA       LYS  54   0.103  -9.808  -4.040
  278   1HB   LYS  54          2HB       LYS  54  -0.265  -6.891  -3.375
  279   2HB   LYS  54          1HB       LYS  54  -0.253  -7.534  -5.011
  280   1HG   LYS  54          2HG       LYS  54  -2.274  -7.952  -2.845
  281   2HG   LYS  54          1HG       LYS  54  -2.511  -7.358  -4.490
  282   1HD   LYS  54          2HD       LYS  54  -1.992  -9.577  -5.369
  283   2HD   LYS  54          1HD       LYS  54  -1.733 -10.171  -3.729
  284   1HE   LYS  54          2HE       LYS  54  -4.087  -9.544  -3.204
  285   2HE   LYS  54          1HE       LYS  54  -4.311  -9.158  -4.909
  286   1HZ   LYS  54          1HZ       LYS  54  -5.089 -11.341  -4.627
  287   2HZ   LYS  54          2HZ       LYS  54  -3.753 -11.796  -3.694
  288   3HZ   LYS  54          3HZ       LYS  54  -3.566 -11.514  -5.358
  289    H    GLY  55           H        GLY  55   2.085  -7.178  -2.520
  290   1HA   GLY  55          2HA       GLY  55   4.524  -7.919  -3.196
  291   2HA   GLY  55          1HA       GLY  55   3.925  -7.375  -4.755
  292    H    PHE  56           H        PHE  56   2.979  -5.923  -1.729
  293    HA   PHE  56           HA       PHE  56   4.888  -3.698  -2.098
  294   1HB   PHE  56          2HB       PHE  56   2.079  -3.204  -1.144
  295   2HB   PHE  56          1HB       PHE  56   3.216  -2.065  -1.850
  296    HD1  PHE  56           1HD      PHE  56   3.502  -1.936  -4.258
  297    HD2  PHE  56           2HD      PHE  56   0.671  -4.582  -2.509
  298    HE1  PHE  56           1HE      PHE  56   2.387  -2.180  -6.430
  299    HE2  PHE  56           2HE      PHE  56  -0.445  -4.836  -4.684
  300    HZ   PHE  56           HZ       PHE  56   0.413  -3.630  -6.649
  301    H    ARG  57           H        ARG  57   5.562  -2.662   0.055
  302    HA   ARG  57           HA       ARG  57   4.614  -4.132   2.323
  303   1HB   ARG  57          2HB       ARG  57   6.720  -3.749   2.913
  304   2HB   ARG  57          1HB       ARG  57   6.962  -2.721   1.514
  305   1HG   ARG  57          2HG       ARG  57   6.209  -0.784   2.811
  306   2HG   ARG  57          1HG       ARG  57   5.952  -1.831   4.214
  307   1HD   ARG  57          2HD       ARG  57   8.387  -2.497   3.982
  308   2HD   ARG  57          1HD       ARG  57   8.545  -1.164   2.839
  309    HE   ARG  57           HE       ARG  57   8.214   0.361   4.611
  310   1HH1  ARG  57          1HH1      ARG  57   8.165  -2.970   5.711
  311   2HH1  ARG  57          2HH1      ARG  57   8.610  -2.564   7.336
  312   1HH2  ARG  57          1HH2      ARG  57   8.821   0.890   6.737
  313   2HH2  ARG  57          2HH2      ARG  57   8.981  -0.373   7.935
  314    H    VAL  58           H        VAL  58   3.199  -3.399   3.750
  315    HA   VAL  58           HA       VAL  58   1.770  -1.010   3.191
  316    HB   VAL  58           HB       VAL  58   1.465  -3.051   5.378
  317   1HG1  VAL  58          1HG1      VAL  58  -0.335  -0.719   4.698
  318   2HG1  VAL  58          2HG1      VAL  58   0.602  -0.920   6.178
  319   3HG1  VAL  58          3HG1      VAL  58  -0.732  -2.016   5.824
  320   1HG2  VAL  58          1HG2      VAL  58  -0.093  -2.535   2.850
  321   2HG2  VAL  58          2HG2      VAL  58  -0.543  -3.700   4.093
  322   3HG2  VAL  58          3HG2      VAL  58   0.954  -3.914   3.184
  323    H    LEU  59           H        LEU  59   2.409   0.873   3.793
  324    HA   LEU  59           HA       LEU  59   4.015   1.306   6.176
  325   1HB   LEU  59          2HB       LEU  59   3.958   2.621   3.831
  326   2HB   LEU  59          1HB       LEU  59   2.818   3.605   4.730
  327    HG   LEU  59           HG       LEU  59   5.112   4.504   4.789
  328   1HD1  LEU  59          1HD1      LEU  59   4.098   3.547   7.459
  329   2HD1  LEU  59          2HD1      LEU  59   3.589   5.009   6.614
  330   3HD1  LEU  59          3HD1      LEU  59   5.246   4.862   7.201
  331   1HD2  LEU  59          1HD2      LEU  59   5.758   1.975   6.298
  332   2HD2  LEU  59          2HD2      LEU  59   6.834   3.356   6.090
  333   3HD2  LEU  59          3HD2      LEU  59   6.340   2.405   4.691
  334    H    ASP  60           H        ASP  60   3.056   1.373   8.110
  335    HA   ASP  60           HA       ASP  60   0.186   2.041   8.200
  336   1HB   ASP  60          2HB       ASP  60   0.604  -0.434   8.200
  337   2HB   ASP  60          1HB       ASP  60   1.518  -0.236   9.689
  338    H    ALA  61           H        ALA  61   2.244   3.785   8.718
  339    HA   ALA  61           HA       ALA  61   1.685   4.578  11.421
  340   1HB   ALA  61          1HB       ALA  61   4.524   3.860  10.664
  341   2HB   ALA  61          2HB       ALA  61   3.507   2.971  11.799
  342   3HB   ALA  61          3HB       ALA  61   4.014   4.619  12.172
  343    H    CYS  62           H        CYS  62   2.593   6.746  11.849
  344    HA   CYS  62           HA       CYS  62   2.607   8.363   9.484
  345   1HB   CYS  62          2HB       CYS  62   3.167   9.091  12.367
  346   2HB   CYS  62          1HB       CYS  62   2.941  10.247  11.056
  347    HG   CYS  62           HG       CYS  62   0.289   8.786  10.640
  348    H    SER  63           H        SER  63   4.438   7.180   8.531
  349    HA   SER  63           HA       SER  63   7.014   8.316   9.391
  350   1HB   SER  63          2HB       SER  63   6.634   5.675   7.965
  351   2HB   SER  63          1HB       SER  63   8.108   6.287   8.720
  352    HG   SER  63           HG       SER  63   6.721   6.278  10.726
  353    H    SER  64           H        SER  64   8.260   9.252   7.834
  354    HA   SER  64           HA       SER  64   6.954   9.947   5.369
  355   1HB   SER  64          2HB       SER  64   8.299  11.577   6.680
  356   2HB   SER  64          1HB       SER  64   9.745  10.639   6.321
  357    HG   SER  64           HG       SER  64   9.101  10.994   4.028
  358    H    GLU  65           H        GLU  65   8.516   7.235   6.217
  359    HA   GLU  65           HA       GLU  65  10.279   6.751   4.061
  360   1HB   GLU  65          2HB       GLU  65  10.371   5.421   6.090
  361   2HB   GLU  65          1HB       GLU  65   8.740   4.831   5.813
  362   1HG   GLU  65          2HG       GLU  65   9.536   3.745   3.736
  363   2HG   GLU  65          1HG       GLU  65  11.174   4.252   4.142
  364    H    ALA  66           H        ALA  66   6.833   6.617   4.349
  365    HA   ALA  66           HA       ALA  66   6.186   4.749   2.366
  366   1HB   ALA  66          1HB       ALA  66   4.648   7.206   3.200
  367   2HB   ALA  66          2HB       ALA  66   4.556   5.615   3.954
  368   3HB   ALA  66          3HB       ALA  66   4.001   5.838   2.296
  369    H    THR  67           H        THR  67   5.601   5.011   0.152
  370    HA   THR  67           HA       THR  67   6.224   7.628  -1.041
  371    HB   THR  67           HB       THR  67   8.193   6.181  -1.355
  372    HG1  THR  67           1HG      THR  67   7.387   7.642  -3.102
  373   1HG2  THR  67          1HG2      THR  67   8.026   4.159  -2.766
  374   2HG2  THR  67          2HG2      THR  67   6.270   4.321  -2.760
  375   3HG2  THR  67          3HG2      THR  67   7.129   4.004  -1.256
  376    H    HIS  68           H        HIS  68   3.766   5.970  -0.373
  377    HA   HIS  68           HA       HIS  68   2.346   6.924  -2.714
  378   1HB   HIS  68          2HB       HIS  68   2.434   4.012  -1.951
  379   2HB   HIS  68          1HB       HIS  68   0.998   4.691  -2.703
  380    HD1  HIS  68           1HD      HIS  68   4.292   3.307  -3.473
  381    HD2  HIS  68           2HD      HIS  68   1.505   5.716  -5.391
  382    HE1  HIS  68           1HE      HIS  68   4.921   3.253  -5.903
  383    HE2  HIS  68           2HE      HIS  68   3.099   4.543  -7.066
  384    H    VAL  69           H        VAL  69   1.318   8.387  -1.535
  385    HA   VAL  69           HA       VAL  69  -0.269   7.510   0.729
  386    HB   VAL  69           HB       VAL  69  -0.094  10.229  -0.584
  387   1HG1  VAL  69          1HG1      VAL  69  -1.367   9.357   2.005
  388   2HG1  VAL  69          2HG1      VAL  69  -2.206   9.922   0.561
  389   3HG1  VAL  69          3HG1      VAL  69  -1.180  11.027   1.473
  390   1HG2  VAL  69          1HG2      VAL  69   1.238  10.841   1.403
  391   2HG2  VAL  69          2HG2      VAL  69   2.024   9.603   0.422
  392   3HG2  VAL  69          3HG2      VAL  69   1.205   9.155   1.921
  393    H    VAL  70           H        VAL  70  -2.352   7.085   0.649
  394    HA   VAL  70           HA       VAL  70  -3.850   7.399  -1.857
  395    HB   VAL  70           HB       VAL  70  -4.813   5.092  -1.351
  396   1HG1  VAL  70          1HG1      VAL  70  -3.056   3.945  -2.604
  397   2HG1  VAL  70          2HG1      VAL  70  -1.957   5.286  -2.277
  398   3HG1  VAL  70          3HG1      VAL  70  -3.388   5.543  -3.276
  399   1HG2  VAL  70          1HG2      VAL  70  -3.916   4.775   0.864
  400   2HG2  VAL  70          2HG2      VAL  70  -2.271   4.878   0.234
  401   3HG2  VAL  70          3HG2      VAL  70  -3.305   3.522  -0.217
  402    H    MET  71           H        MET  71  -6.122   7.333  -1.572
  403    HA   MET  71           HA       MET  71  -7.215   7.539   1.108
  404   1HB   MET  71          2HB       MET  71  -6.847   9.850  -0.748
  405   2HB   MET  71          1HB       MET  71  -8.309   9.784   0.228
  406   1HG   MET  71          2HG       MET  71  -7.209  10.170   2.155
  407   2HG   MET  71          1HG       MET  71  -5.754   9.329   1.625
  408   1HE   MET  71          1HE       MET  71  -3.880  10.357   0.183
  409   2HE   MET  71          2HE       MET  71  -3.957  11.945  -0.573
  410   3HE   MET  71          3HE       MET  71  -5.044  10.661  -1.105
  411    H    GLU  72           H        GLU  72  -9.567   7.636   1.073
  412    HA   GLU  72           HA       GLU  72 -10.695   6.673  -1.471
  413   1HB   GLU  72          2HB       GLU  72 -10.829   5.058   0.378
  414   2HB   GLU  72          1HB       GLU  72 -11.678   6.243   1.359
  415   1HG   GLU  72          2HG       GLU  72 -13.540   6.218  -0.205
  416   2HG   GLU  72          1HG       GLU  72 -12.680   5.057  -1.218
  417    H    GLU  73           H        GLU  73 -12.315   7.766  -2.397
  418    HA   GLU  73           HA       GLU  73 -13.804   9.417  -2.860
  419   1HB   GLU  73          2HB       GLU  73 -14.354   9.287   0.112
  420   2HB   GLU  73          1HB       GLU  73 -15.392  10.044  -1.091
  421   1HG   GLU  73          2HG       GLU  73 -15.707   7.877  -2.175
  422   2HG   GLU  73          1HG       GLU  73 -14.694   7.122  -0.943
  423    H    THR  74           H        THR  74 -11.093  10.149  -2.273
  424    HA   THR  74           HA       THR  74 -11.463  12.839  -1.145
  425    HB   THR  74           HB       THR  74  -8.949  11.151  -1.229
  426    HG1  THR  74           1HG      THR  74 -10.578  10.452   0.287
  427   1HG2  THR  74          1HG2      THR  74  -8.460  13.549  -1.337
  428   2HG2  THR  74          2HG2      THR  74  -7.992  12.880   0.227
  429   3HG2  THR  74          3HG2      THR  74  -9.474  13.825   0.081
  430    H    SER  75           H        SER  75 -11.038  14.517  -2.468
  431    HA   SER  75           HA       SER  75 -10.247  13.845  -5.195
  432   1HB   SER  75          2HB       SER  75 -11.422  16.402  -4.079
  433   2HB   SER  75          1HB       SER  75 -11.117  16.066  -5.785
  434    HG   SER  75           HG       SER  75 -12.582  14.115  -4.550
  435    H    ALA  76           H        ALA  76  -9.012  15.812  -6.255
  436    HA   ALA  76           HA       ALA  76  -6.403  15.521  -5.475
  437   1HB   ALA  76          1HB       ALA  76  -7.091  16.303  -7.683
  438   2HB   ALA  76          2HB       ALA  76  -5.860  17.349  -6.976
  439   3HB   ALA  76          3HB       ALA  76  -7.547  17.861  -6.991
  440    H    GLU  77           H        GLU  77  -8.310  18.514  -4.967
  441    HA   GLU  77           HA       GLU  77  -6.213  19.831  -3.613
  442   1HB   GLU  77          2HB       GLU  77  -9.122  20.521  -3.274
  443   2HB   GLU  77          1HB       GLU  77  -7.729  21.600  -3.303
  444   1HG   GLU  77          2HG       GLU  77  -7.400  21.039  -5.685
  445   2HG   GLU  77          1HG       GLU  77  -8.873  20.074  -5.622
  446    H    GLU  78           H        GLU  78  -9.170  18.312  -2.420
  447    HA   GLU  78           HA       GLU  78  -8.994  18.448   0.263
  448   1HB   GLU  78          2HB       GLU  78  -9.653  16.081  -1.470
  449   2HB   GLU  78          1HB       GLU  78  -9.731  15.968   0.282
  450   1HG   GLU  78          2HG       GLU  78 -11.902  16.411  -0.760
  451   2HG   GLU  78          1HG       GLU  78 -11.409  17.674   0.365
  452    H    ALA  79           H        ALA  79  -7.186  16.078  -1.673
  453    HA   ALA  79           HA       ALA  79  -5.698  15.218   0.640
  454   1HB   ALA  79          1HB       ALA  79  -4.605  13.661  -0.793
  455   2HB   ALA  79          2HB       ALA  79  -5.181  14.505  -2.234
  456   3HB   ALA  79          3HB       ALA  79  -6.326  13.667  -1.182
  457    H    VAL  80           H        VAL  80  -5.281  17.626  -1.805
  458    HA   VAL  80           HA       VAL  80  -2.463  17.864  -1.638
  459    HB   VAL  80           HB       VAL  80  -4.571  19.856  -2.479
  460   1HG1  VAL  80          1HG1      VAL  80  -1.574  20.183  -2.588
  461   2HG1  VAL  80          2HG1      VAL  80  -2.682  21.109  -1.575
  462   3HG1  VAL  80          3HG1      VAL  80  -2.753  21.261  -3.332
  463   1HG2  VAL  80          1HG2      VAL  80  -3.647  19.459  -4.708
  464   2HG2  VAL  80          2HG2      VAL  80  -4.222  17.963  -3.976
  465   3HG2  VAL  80          3HG2      VAL  80  -2.495  18.312  -4.028
  466    H    SER  81           H        SER  81  -5.092  19.555   0.136
  467    HA   SER  81           HA       SER  81  -3.357  20.984   1.842
  468   1HB   SER  81          2HB       SER  81  -5.322  21.179   3.340
  469   2HB   SER  81          1HB       SER  81  -5.744  21.527   1.662
  470    HG   SER  81           HG       SER  81  -7.231  20.072   1.970
  471    H    TRP  82           H        TRP  82  -4.925  17.844   2.185
  472    HA   TRP  82           HA       TRP  82  -3.768  16.924   4.508
  473   1HB   TRP  82          2HB       TRP  82  -5.198  15.357   3.591
  474   2HB   TRP  82          1HB       TRP  82  -4.526  15.539   1.972
  475    HD1  TRP  82           HD       TRP  82  -3.104  13.610   1.195
  476    HE1  TRP  82           1HE      TRP  82  -1.750  11.738   2.306
  477    HE3  TRP  82           3HE      TRP  82  -3.766  14.904   6.104
  478    HZ2  TRP  82           2HZ      TRP  82  -1.040  10.907   4.897
  479    HZ3  TRP  82           3HZ      TRP  82  -2.708  13.512   7.835
  480    HH2  TRP  82           HH       TRP  82  -1.372  11.554   7.237
  481    H    GLN  83           H        GLN  83  -2.274  16.934   1.274
  482    HA   GLN  83           HA       GLN  83   0.231  15.917   1.942
  483   1HB   GLN  83          2HB       GLN  83  -0.268  16.236  -0.345
  484   2HB   GLN  83          1HB       GLN  83  -0.649  17.935  -0.106
  485   1HG   GLN  83          2HG       GLN  83   1.724  18.371   0.379
  486   2HG   GLN  83          1HG       GLN  83   2.082  16.676   0.045
  487   1HE2  GLN  83          1HE2      GLN  83  -0.315  18.477  -1.707
  488   2HE2  GLN  83          2HE2      GLN  83   0.542  18.544  -3.214
  489    H    GLU  84           H        GLU  84  -0.995  19.206   2.188
  490    HA   GLU  84           HA       GLU  84   1.381  20.440   3.057
  491   1HB   GLU  84          2HB       GLU  84  -1.527  21.117   3.403
  492   2HB   GLU  84          1HB       GLU  84  -0.265  22.110   4.122
  493   1HG   GLU  84          2HG       GLU  84  -0.417  21.462   1.192
  494   2HG   GLU  84          1HG       GLU  84  -1.126  22.905   1.916
  495    H    ARG  85           H        ARG  85  -1.300  18.978   4.882
  496    HA   ARG  85           HA       ARG  85  -0.209  19.342   7.445
  497   1HB   ARG  85          2HB       ARG  85  -2.109  17.278   6.342
  498   2HB   ARG  85          1HB       ARG  85  -1.624  17.303   8.029
  499   1HG   ARG  85          2HG       ARG  85  -2.891  19.656   6.676
  500   2HG   ARG  85          1HG       ARG  85  -3.812  18.401   7.509
  501   1HD   ARG  85          2HD       ARG  85  -1.606  20.016   8.750
  502   2HD   ARG  85          1HD       ARG  85  -3.322  20.376   8.935
  503    HE   ARG  85           HE       ARG  85  -2.825  17.703   9.694
  504   1HH1  ARG  85          1HH1      ARG  85  -2.341  20.996  10.794
  505   2HH1  ARG  85          2HH1      ARG  85  -2.178  20.550  12.469
  506   1HH2  ARG  85          1HH2      ARG  85  -2.624  17.114  11.898
  507   2HH2  ARG  85          2HH2      ARG  85  -2.371  18.348  13.092
  508    H    ARG  86           H        ARG  86   0.099  16.681   5.143
  509    HA   ARG  86           HA       ARG  86   1.732  14.954   6.540
  510   1HB   ARG  86          2HB       ARG  86   0.786  14.491   4.325
  511   2HB   ARG  86          1HB       ARG  86   1.831  15.708   3.607
  512   1HG   ARG  86          2HG       ARG  86   3.788  14.362   4.203
  513   2HG   ARG  86          1HG       ARG  86   2.718  13.137   4.894
  514   1HD   ARG  86          2HD       ARG  86   3.361  12.471   2.661
  515   2HD   ARG  86          1HD       ARG  86   1.646  12.866   2.685
  516    HE   ARG  86           HE       ARG  86   3.080  15.157   1.918
  517   1HH1  ARG  86          1HH1      ARG  86   2.219  11.999   0.679
  518   2HH1  ARG  86          2HH1      ARG  86   2.396  12.455  -0.985
  519   1HH2  ARG  86          1HH2      ARG  86   3.285  15.769  -0.303
  520   2HH2  ARG  86          2HH2      ARG  86   2.974  14.594  -1.547
  521    H    MET  87           H        MET  87   2.770  17.553   4.371
  522    HA   MET  87           HA       MET  87   5.490  17.492   4.999
  523   1HB   MET  87          2HB       MET  87   3.780  19.800   4.066
  524   2HB   MET  87          1HB       MET  87   5.530  19.874   4.183
  525   1HG   MET  87          2HG       MET  87   4.184  17.769   2.537
  526   2HG   MET  87          1HG       MET  87   4.447  19.391   1.908
  527   1HE   MET  87          1HE       MET  87   5.865  15.954   2.676
  528   2HE   MET  87          2HE       MET  87   6.752  16.716   3.999
  529   3HE   MET  87          3HE       MET  87   7.616  16.133   2.575
  530    H    ALA  88           H        ALA  88   2.918  19.469   6.459
  531    HA   ALA  88           HA       ALA  88   4.466  20.945   8.212
  532   1HB   ALA  88          1HB       ALA  88   2.439  21.274   9.506
  533   2HB   ALA  88          2HB       ALA  88   1.678  19.908   8.686
  534   3HB   ALA  88          3HB       ALA  88   2.097  21.361   7.779
  535    H    ALA  89           H        ALA  89   3.562  17.590   8.437
  536    HA   ALA  89           HA       ALA  89   4.153  17.420  11.272
  537   1HB   ALA  89          1HB       ALA  89   2.371  16.042  10.332
  538   2HB   ALA  89          2HB       ALA  89   3.645  15.041  11.029
  539   3HB   ALA  89          3HB       ALA  89   3.535  15.237   9.279
  540    H    ALA  90           H        ALA  90   5.737  16.890   8.247
  541    HA   ALA  90           HA       ALA  90   8.029  15.609   9.550
  542   1HB   ALA  90          1HB       ALA  90   7.362  15.970   6.625
  543   2HB   ALA  90          2HB       ALA  90   7.142  14.493   7.564
  544   3HB   ALA  90          3HB       ALA  90   8.765  15.110   7.254
  545    HA   PRO  91           HA       PRO  91  10.570  19.299   8.762
  546   1HB   PRO  91          2HB       PRO  91  12.588  17.658   7.385
  547   2HB   PRO  91          1HB       PRO  91  12.748  18.625   8.853
  548   1HG   PRO  91          2HG       PRO  91  12.753  15.934   8.911
  549   2HG   PRO  91          1HG       PRO  91  12.057  16.908  10.222
  550   1HD   PRO  91          2HD       PRO  91  10.674  15.446   8.004
  551   2HD   PRO  91          1HD       PRO  91  10.212  15.603   9.712
  552    HA   PRO  92           HA       PRO  92   8.888  19.961   4.665
  553   1HB   PRO  92          2HB       PRO  92  10.295  22.561   4.951
  554   2HB   PRO  92          1HB       PRO  92   8.599  22.229   4.580
  555   1HG   PRO  92          2HG       PRO  92   9.299  23.111   6.985
  556   2HG   PRO  92          1HG       PRO  92   8.045  21.867   6.806
  557   1HD   PRO  92          2HD       PRO  92  10.918  21.562   7.608
  558   2HD   PRO  92          1HD       PRO  92   9.473  20.768   8.273
  559    H    GLY  93           H        GLY  93  12.222  20.023   5.515
  560   1HA   GLY  93          2HA       GLY  93  13.168  20.390   2.802
  561   2HA   GLY  93          1HA       GLY  93  14.149  19.998   4.207
  562    H    CYS  94           H        CYS  94  11.640  17.905   4.285
  563    HA   CYS  94           HA       CYS  94  13.187  15.771   3.053
  564   1HB   CYS  94          2HB       CYS  94  12.176  15.425   5.292
  565   2HB   CYS  94          1HB       CYS  94  10.578  15.667   4.596
  566    HG   CYS  94           HG       CYS  94  10.247  13.124   4.384
  567    H    THR  95           H        THR  95  12.470  14.550   1.340
  568    HA   THR  95           HA       THR  95  10.806  15.804  -0.577
  569    HB   THR  95           HB       THR  95  10.971  13.481  -1.692
  570    HG1  THR  95           1HG      THR  95  11.700  12.669   0.549
  571   1HG2  THR  95          1HG2      THR  95  13.480  15.053  -1.094
  572   2HG2  THR  95          2HG2      THR  95  12.320  15.409  -2.376
  573   3HG2  THR  95          3HG2      THR  95  13.269  13.923  -2.429
  574    HA   PRO  96           HA       PRO  96   6.925  14.102   0.833
  575   1HB   PRO  96          2HB       PRO  96   5.713  15.222  -1.536
  576   2HB   PRO  96          1HB       PRO  96   5.580  15.780   0.132
  577   1HG   PRO  96          2HG       PRO  96   6.870  17.162  -1.856
  578   2HG   PRO  96          1HG       PRO  96   7.225  17.336  -0.129
  579   1HD   PRO  96          2HD       PRO  96   8.685  15.788  -2.224
  580   2HD   PRO  96          1HD       PRO  96   9.327  16.724  -0.855
  581    HA   PRO  97           HA       PRO  97   6.740  10.471  -1.847
  582   1HB   PRO  97          2HB       PRO  97   4.665   9.278  -0.588
  583   2HB   PRO  97          1HB       PRO  97   6.310   9.251   0.066
  584   1HG   PRO  97          2HG       PRO  97   4.037  11.082   0.740
  585   2HG   PRO  97          1HG       PRO  97   5.108  10.192   1.843
  586   1HD   PRO  97          2HD       PRO  97   5.526  12.784   1.316
  587   2HD   PRO  97          1HD       PRO  97   6.889  11.656   1.491
  588    H    ALA  98           H        ALA  98   4.769   9.353  -2.969
  589    HA   ALA  98           HA       ALA  98   3.670  11.352  -4.619
  590   1HB   ALA  98          1HB       ALA  98   2.902   8.442  -4.480
  591   2HB   ALA  98          2HB       ALA  98   4.296   9.071  -5.365
  592   3HB   ALA  98          3HB       ALA  98   2.663   9.546  -5.835
  593    H    LEU  99           H        LEU  99   1.832  12.420  -4.488
  594    HA   LEU  99           HA       LEU  99  -0.212  11.611  -2.563
  595   1HB   LEU  99          2HB       LEU  99   0.606  14.024  -2.888
  596   2HB   LEU  99          1HB       LEU  99  -0.282  14.001  -4.398
  597    HG   LEU  99           HG       LEU  99  -2.369  13.524  -3.099
  598   1HD1  LEU  99          1HD1      LEU  99  -1.326  12.523  -1.135
  599   2HD1  LEU  99          2HD1      LEU  99  -2.350  13.890  -0.695
  600   3HD1  LEU  99          3HD1      LEU  99  -0.596  14.076  -0.730
  601   1HD2  LEU  99          1HD2      LEU  99  -1.818  15.782  -3.820
  602   2HD2  LEU  99          2HD2      LEU  99  -0.863  16.026  -2.357
  603   3HD2  LEU  99          3HD2      LEU  99  -2.609  15.801  -2.242
  604    H    LEU 100           H        LEU 100  -2.001  10.571  -3.195
  605    HA   LEU 100           HA       LEU 100  -3.157  10.708  -5.740
  606   1HB   LEU 100          2HB       LEU 100  -2.653   8.142  -6.181
  607   2HB   LEU 100          1HB       LEU 100  -1.643   9.418  -6.819
  608    HG   LEU 100           HG       LEU 100  -0.347   8.947  -4.508
  609   1HD1  LEU 100          1HD1      LEU 100  -1.815   7.158  -3.801
  610   2HD1  LEU 100          2HD1      LEU 100  -0.202   6.537  -4.161
  611   3HD1  LEU 100          3HD1      LEU 100  -1.520   6.295  -5.310
  612   1HD2  LEU 100          1HD2      LEU 100  -0.043   7.437  -7.096
  613   2HD2  LEU 100          2HD2      LEU 100   1.191   7.570  -5.841
  614   3HD2  LEU 100          3HD2      LEU 100   0.653   9.011  -6.706
  615    H    ASP 101           H        ASP 101  -4.446   8.218  -5.876
  616    HA   ASP 101           HA       ASP 101  -6.010   8.383  -3.389
  617   1HB   ASP 101          2HB       ASP 101  -7.137   9.525  -5.250
  618   2HB   ASP 101          1HB       ASP 101  -6.976   8.093  -6.252
  619    H    ILE 102           H        ILE 102  -7.288   6.410  -2.946
  620    HA   ILE 102           HA       ILE 102  -5.914   4.003  -3.021
  621    HB   ILE 102           HB       ILE 102  -7.851   4.498  -1.549
  622   1HG1  ILE 102          2HG1      ILE 102  -8.853   2.229  -1.638
  623   2HG1  ILE 102          1HG1      ILE 102  -8.067   1.969  -3.194
  624   1HG2  ILE 102          1HG2      ILE 102 -10.120   4.132  -2.392
  625   2HG2  ILE 102          2HG2      ILE 102  -9.479   3.964  -4.027
  626   3HG2  ILE 102          3HG2      ILE 102  -9.335   5.503  -3.176
  627   1HD1  ILE 102          1HD1      ILE 102  -5.904   2.163  -2.175
  628   2HD1  ILE 102          2HD1      ILE 102  -6.864   0.952  -1.323
  629   3HD1  ILE 102          3HD1      ILE 102  -6.643   2.556  -0.618
  630    H    SER 103           H        SER 103  -7.496   5.582  -5.525
  631    HA   SER 103           HA       SER 103  -8.436   3.476  -7.131
  632   1HB   SER 103          2HB       SER 103  -8.981   5.878  -7.449
  633   2HB   SER 103          1HB       SER 103  -7.341   6.151  -8.033
  634    HG   SER 103           HG       SER 103  -9.446   4.687  -9.215
  635    H    TRP 104           H        TRP 104  -5.210   4.695  -6.597
  636    HA   TRP 104           HA       TRP 104  -4.022   3.349  -8.836
  637   1HB   TRP 104          2HB       TRP 104  -2.702   5.125  -8.057
  638   2HB   TRP 104          1HB       TRP 104  -2.953   4.702  -6.367
  639    HD1  TRP 104           HD       TRP 104  -0.791   3.738  -9.405
  640    HE1  TRP 104           1HE      TRP 104   1.234   2.374  -8.568
  641    HE3  TRP 104           3HE      TRP 104  -2.111   3.223  -4.490
  642    HZ2  TRP 104           2HZ      TRP 104   2.141   1.234  -6.163
  643    HZ3  TRP 104           3HZ      TRP 104  -0.613   1.978  -2.986
  644    HH2  TRP 104           HH       TRP 104   1.473   1.006  -3.811
  645    H    LEU 105           H        LEU 105  -4.949   2.466  -5.625
  646    HA   LEU 105           HA       LEU 105  -2.932   0.395  -5.401
  647   1HB   LEU 105          2HB       LEU 105  -3.556   1.798  -3.462
  648   2HB   LEU 105          1HB       LEU 105  -5.160   1.088  -3.498
  649    HG   LEU 105           HG       LEU 105  -4.294  -1.079  -2.924
  650   1HD1  LEU 105          1HD1      LEU 105  -1.907  -1.453  -2.524
  651   2HD1  LEU 105          2HD1      LEU 105  -1.562   0.185  -3.084
  652   3HD1  LEU 105          3HD1      LEU 105  -2.226  -1.008  -4.200
  653   1HD2  LEU 105          1HD2      LEU 105  -3.306  -0.594  -0.728
  654   2HD2  LEU 105          2HD2      LEU 105  -4.707   0.421  -1.070
  655   3HD2  LEU 105          3HD2      LEU 105  -3.078   1.085  -1.217
  656    H    THR 106           H        THR 106  -6.384   0.623  -6.030
  657    HA   THR 106           HA       THR 106  -7.001  -2.060  -5.484
  658    HB   THR 106           HB       THR 106  -8.976  -1.597  -7.027
  659    HG1  THR 106           1HG      THR 106  -9.136   0.829  -7.317
  660   1HG2  THR 106          1HG2      THR 106  -9.994  -0.042  -5.393
  661   2HG2  THR 106          2HG2      THR 106  -8.393   0.266  -4.714
  662   3HG2  THR 106          3HG2      THR 106  -9.103  -1.343  -4.603
  663    H    GLU 107           H        GLU 107  -6.542  -0.529  -8.705
  664    HA   GLU 107           HA       GLU 107  -6.348  -2.841 -10.193
  665   1HB   GLU 107          2HB       GLU 107  -4.922  -0.210 -10.599
  666   2HB   GLU 107          1HB       GLU 107  -5.001  -1.487 -11.807
  667   1HG   GLU 107          2HG       GLU 107  -7.470  -1.302 -11.765
  668   2HG   GLU 107          1HG       GLU 107  -7.314   0.064 -10.661
  669    H    SER 108           H        SER 108  -3.608  -1.019  -8.873
  670    HA   SER 108           HA       SER 108  -1.568  -2.730  -9.549
  671   1HB   SER 108          2HB       SER 108  -0.330  -1.937  -7.496
  672   2HB   SER 108          1HB       SER 108  -0.966  -0.660  -8.530
  673    HG   SER 108           HG       SER 108  -2.399  -0.130  -7.046
  674    H    LEU 109           H        LEU 109  -3.652  -3.033  -6.671
  675    HA   LEU 109           HA       LEU 109  -2.575  -5.378  -5.640
  676   1HB   LEU 109          2HB       LEU 109  -5.420  -4.416  -5.665
  677   2HB   LEU 109          1HB       LEU 109  -4.892  -5.840  -4.789
  678    HG   LEU 109           HG       LEU 109  -4.265  -2.965  -4.247
  679   1HD1  LEU 109          1HD1      LEU 109  -6.180  -3.973  -3.156
  680   2HD1  LEU 109          2HD1      LEU 109  -4.906  -3.631  -1.984
  681   3HD1  LEU 109          3HD1      LEU 109  -5.160  -5.280  -2.555
  682   1HD2  LEU 109          1HD2      LEU 109  -2.543  -3.661  -2.678
  683   2HD2  LEU 109          2HD2      LEU 109  -2.112  -4.111  -4.326
  684   3HD2  LEU 109          3HD2      LEU 109  -2.719  -5.333  -3.210
  685    H    GLY 110           H        GLY 110  -5.062  -4.979  -8.141
  686   1HA   GLY 110          2HA       GLY 110  -5.677  -7.683  -8.518
  687   2HA   GLY 110          1HA       GLY 110  -5.858  -6.422  -9.729
  688    H    ALA 111           H        ALA 111  -3.390  -5.658 -10.345
  689    HA   ALA 111           HA       ALA 111  -2.318  -7.749 -11.894
  690   1HB   ALA 111          1HB       ALA 111  -0.959  -5.192 -11.043
  691   2HB   ALA 111          2HB       ALA 111  -2.038  -5.367 -12.429
  692   3HB   ALA 111          3HB       ALA 111  -0.496  -6.224 -12.400
  693    H    GLY 112           H        GLY 112  -1.533  -6.572  -8.686
  694   1HA   GLY 112          2HA       GLY 112  -0.534  -7.854  -6.995
  695   2HA   GLY 112          1HA       GLY 112   0.014  -8.997  -8.214
  696    H    GLN 113           H        GLN 113   0.600  -5.800  -9.086
  697    HA   GLN 113           HA       GLN 113   3.225  -5.660  -7.870
  698   1HB   GLN 113          2HB       GLN 113   4.259  -5.306 -10.183
  699   2HB   GLN 113          1HB       GLN 113   3.890  -6.957  -9.708
  700   1HG   GLN 113          2HG       GLN 113   1.903  -6.952 -11.069
  701   2HG   GLN 113          1HG       GLN 113   2.145  -5.253 -11.476
  702   1HE2  GLN 113          1HE2      GLN 113   3.649  -4.698 -13.018
  703   2HE2  GLN 113          2HE2      GLN 113   4.477  -5.867 -13.992
  704    HA   PRO 114           HA       PRO 114   2.423  -1.352  -7.983
  705   1HB   PRO 114          2HB       PRO 114   4.948  -0.345  -8.340
  706   2HB   PRO 114          1HB       PRO 114   4.328  -0.942  -6.797
  707   1HG   PRO 114          2HG       PRO 114   6.087  -2.305  -8.789
  708   2HG   PRO 114          1HG       PRO 114   6.163  -2.332  -7.018
  709   1HD   PRO 114          2HD       PRO 114   5.129  -4.373  -8.455
  710   2HD   PRO 114          1HD       PRO 114   4.515  -3.938  -6.847
  711    H    VAL 115           H        VAL 115   1.251  -1.352  -9.931
  712    HA   VAL 115           HA       VAL 115   2.404  -0.999 -12.476
  713    HB   VAL 115           HB       VAL 115   0.204  -0.140 -13.166
  714   1HG1  VAL 115          1HG1      VAL 115  -0.000  -2.520 -11.327
  715   2HG1  VAL 115          2HG1      VAL 115   0.560  -2.554 -13.001
  716   3HG1  VAL 115          3HG1      VAL 115  -1.109  -2.118 -12.640
  717   1HG2  VAL 115          1HG2      VAL 115  -0.467  -0.256 -10.223
  718   2HG2  VAL 115          2HG2      VAL 115  -1.631   0.008 -11.521
  719   3HG2  VAL 115          3HG2      VAL 115  -0.364   1.197 -11.220
  720    HA   PRO 116           HA       PRO 116   3.878   3.140 -12.430
  721   1HB   PRO 116          2HB       PRO 116   3.078   3.990 -14.922
  722   2HB   PRO 116          1HB       PRO 116   4.511   3.006 -14.621
  723   1HG   PRO 116          2HG       PRO 116   1.806   2.179 -15.565
  724   2HG   PRO 116          1HG       PRO 116   3.400   1.578 -16.057
  725   1HD   PRO 116          2HD       PRO 116   1.794   0.219 -14.362
  726   2HD   PRO 116          1HD       PRO 116   3.563   0.164 -14.239
  727    H    VAL 117           H        VAL 117   3.078   4.960 -11.571
  728    HA   VAL 117           HA       VAL 117   0.250   5.149 -11.255
  729    HB   VAL 117           HB       VAL 117   1.628   5.791  -9.399
  730   1HG1  VAL 117          1HG1      VAL 117   3.621   6.537 -10.549
  731   2HG1  VAL 117          2HG1      VAL 117   3.063   7.784  -9.431
  732   3HG1  VAL 117          3HG1      VAL 117   2.766   7.954 -11.162
  733   1HG2  VAL 117          1HG2      VAL 117   0.689   7.986  -8.860
  734   2HG2  VAL 117          2HG2      VAL 117  -0.512   6.930  -9.605
  735   3HG2  VAL 117          3HG2      VAL 117   0.248   8.212 -10.552
  736    H    GLU 118           H        GLU 118  -0.434   5.304 -13.392
  737    HA   GLU 118           HA       GLU 118   0.179   7.360 -15.173
  738   1HB   GLU 118          2HB       GLU 118  -2.002   6.810 -16.233
  739   2HB   GLU 118          1HB       GLU 118  -0.993   5.403 -15.926
  740   1HG   GLU 118          2HG       GLU 118  -2.278   4.932 -13.908
  741   2HG   GLU 118          1HG       GLU 118  -3.305   6.321 -14.247
  742    H    CYS 119           H        CYS 119  -1.320   9.099 -15.883
  743    HA   CYS 119           HA       CYS 119  -1.435  11.066 -13.997
  744   1HB   CYS 119          2HB       CYS 119  -3.072  12.196 -15.585
  745   2HB   CYS 119          1HB       CYS 119  -1.532  11.683 -16.269
  746    HG   CYS 119           HG       CYS 119  -3.661  11.259 -18.096
  747    H    ARG 120           H        ARG 120  -4.167   8.973 -14.944
  748    HA   ARG 120           HA       ARG 120  -6.067  10.375 -13.393
  749   1HB   ARG 120          2HB       ARG 120  -7.608   8.686 -13.942
  750   2HB   ARG 120          1HB       ARG 120  -6.535   8.799 -15.325
  751   1HG   ARG 120          2HG       ARG 120  -5.358   6.808 -14.624
  752   2HG   ARG 120          1HG       ARG 120  -6.334   6.721 -13.156
  753   1HD   ARG 120          2HD       ARG 120  -8.353   6.629 -14.723
  754   2HD   ARG 120          1HD       ARG 120  -7.188   6.297 -16.001
  755    HE   ARG 120           HE       ARG 120  -7.094   4.579 -13.656
  756   1HH1  ARG 120          1HH1      ARG 120  -8.086   5.033 -16.967
  757   2HH1  ARG 120          2HH1      ARG 120  -8.409   3.351 -17.249
  758   1HH2  ARG 120          1HH2      ARG 120  -7.488   2.343 -14.002
  759   2HH2  ARG 120          2HH2      ARG 120  -8.044   1.822 -15.566
  760    H    HIS 121           H        HIS 121  -3.659   8.097 -12.522
  761    HA   HIS 121           HA       HIS 121  -4.983   7.259 -10.075
  762   1HB   HIS 121          2HB       HIS 121  -2.212   6.757 -11.162
  763   2HB   HIS 121          1HB       HIS 121  -2.725   6.211  -9.575
  764    HD1  HIS 121           1HD      HIS 121  -5.673   5.548 -11.186
  765    HD2  HIS 121           2HD      HIS 121  -1.861   3.930 -11.613
  766    HE1  HIS 121           1HE      HIS 121  -6.000   3.283 -12.220
  767    HE2  HIS 121           2HE      HIS 121  -3.678   2.416 -12.656
  768    H    ARG 122           H        ARG 122  -3.038   9.866 -11.120
  769    HA   ARG 122           HA       ARG 122  -1.432  10.029  -8.729
  770   1HB   ARG 122          2HB       ARG 122  -0.718  10.560 -11.144
  771   2HB   ARG 122          1HB       ARG 122  -1.544  12.092 -10.902
  772   1HG   ARG 122          2HG       ARG 122  -0.049  12.745  -9.206
  773   2HG   ARG 122          1HG       ARG 122   0.626  11.118  -9.071
  774   1HD   ARG 122          2HD       ARG 122   0.870  12.956 -11.455
  775   2HD   ARG 122          1HD       ARG 122   2.143  12.600 -10.287
  776    HE   ARG 122           HE       ARG 122   1.137  10.219 -11.473
  777   1HH1  ARG 122          1HH1      ARG 122   3.251  12.952 -12.097
  778   2HH1  ARG 122          2HH1      ARG 122   4.221  12.077 -13.250
  779   1HH2  ARG 122          1HH2      ARG 122   2.430   9.085 -12.986
  780   2HH2  ARG 122          2HH2      ARG 122   3.760   9.907 -13.760
  781    H    LEU 123           H        LEU 123  -4.450  11.189  -9.585
  782    HA   LEU 123           HA       LEU 123  -5.973  12.410  -8.523
  783   1HB   LEU 123          2HB       LEU 123  -5.217  11.117  -6.634
  784   2HB   LEU 123          1HB       LEU 123  -3.949  12.289  -6.316
  785    HG   LEU 123           HG       LEU 123  -5.962  13.933  -6.223
  786   1HD1  LEU 123          1HD1      LEU 123  -7.649  12.303  -6.840
  787   2HD1  LEU 123          2HD1      LEU 123  -7.937  12.920  -5.212
  788   3HD1  LEU 123          3HD1      LEU 123  -7.224  11.322  -5.436
  789   1HD2  LEU 123          1HD2      LEU 123  -4.375  13.543  -4.456
  790   2HD2  LEU 123          2HD2      LEU 123  -5.186  12.035  -4.031
  791   3HD2  LEU 123          3HD2      LEU 123  -6.010  13.578  -3.789
  792    H    GLU 124           H        GLU 124  -2.972  13.866  -7.276
  793    HA   GLU 124           HA       GLU 124  -4.008  16.468  -7.138
  794   1HB   GLU 124          2HB       GLU 124  -1.693  17.178  -6.795
  795   2HB   GLU 124          1HB       GLU 124  -2.062  15.737  -5.857
  796   1HG   GLU 124          2HG       GLU 124  -0.805  14.354  -7.279
  797   2HG   GLU 124          1HG       GLU 124  -0.715  15.587  -8.536
  Start of MODEL    8
    1   1H    GLY  20          1HT       GLY  20   3.321  -9.145  20.528
    2   2H    GLY  20          2HT       GLY  20   3.920  -8.156  21.765
    3   3H    GLY  20          3HT       GLY  20   4.975  -9.171  20.910
    4   1HA   GLY  20          1HA       GLY  20   3.497  -6.863  19.779
    5   2HA   GLY  20          2HA       GLY  20   5.211  -6.890  20.175
    6    H    THR  21           H        THR  21   3.037  -7.200  17.719
    7    HA   THR  21           HA       THR  21   4.628  -9.124  16.203
    8    HB   THR  21           HB       THR  21   2.806  -8.710  14.443
    9    HG1  THR  21           1HG      THR  21   1.501  -7.579  16.725
   10   1HG2  THR  21          1HG2      THR  21   1.225 -10.214  15.580
   11   2HG2  THR  21          2HG2      THR  21   2.060  -9.922  17.105
   12   3HG2  THR  21          3HG2      THR  21   2.896 -10.739  15.785
   13    HA   PRO  22           HA       PRO  22   6.952  -5.754  14.325
   14   1HB   PRO  22          2HB       PRO  22   8.017  -7.452  12.393
   15   2HB   PRO  22          1HB       PRO  22   8.738  -7.124  13.972
   16   1HG   PRO  22          2HG       PRO  22   7.072  -9.435  13.089
   17   2HG   PRO  22          1HG       PRO  22   8.464  -9.406  14.189
   18   1HD   PRO  22          2HD       PRO  22   5.950  -9.619  15.098
   19   2HD   PRO  22          1HD       PRO  22   7.183  -8.696  15.983
   20    HA   PRO  23           HA       PRO  23   4.141  -4.456  11.245
   21   1HB   PRO  23          2HB       PRO  23   5.906  -3.163   9.540
   22   2HB   PRO  23          1HB       PRO  23   5.205  -2.463  11.002
   23   1HG   PRO  23          2HG       PRO  23   7.877  -3.742  10.606
   24   2HG   PRO  23          1HG       PRO  23   7.454  -2.298  11.544
   25   1HD   PRO  23          2HD       PRO  23   7.908  -4.630  12.754
   26   2HD   PRO  23          1HD       PRO  23   6.615  -3.549  13.319
   27    H    SER  24           H        SER  24   3.352  -6.155  10.134
   28    HA   SER  24           HA       SER  24   4.941  -7.630   8.245
   29   1HB   SER  24          2HB       SER  24   3.175  -8.745   9.554
   30   2HB   SER  24          1HB       SER  24   1.960  -7.709   8.806
   31    HG   SER  24           HG       SER  24   1.872  -9.402   7.506
   32    H    THR  25           H        THR  25   5.235  -7.113   6.179
   33    HA   THR  25           HA       THR  25   3.177  -5.503   4.850
   34    HB   THR  25           HB       THR  25   4.881  -4.287   3.565
   35    HG1  THR  25           1HG      THR  25   6.991  -5.002   5.224
   36   1HG2  THR  25          1HG2      THR  25   5.799  -2.909   5.372
   37   2HG2  THR  25          2HG2      THR  25   5.356  -4.153   6.543
   38   3HG2  THR  25          3HG2      THR  25   4.100  -3.297   5.649
   39    H    ARG  26           H        ARG  26   6.110  -6.552   3.287
   40    HA   ARG  26           HA       ARG  26   5.746  -9.148   2.619
   41   1HB   ARG  26          2HB       ARG  26   3.530  -8.169   1.612
   42   2HB   ARG  26          1HB       ARG  26   4.579  -7.608   0.320
   43   1HG   ARG  26          2HG       ARG  26   4.312 -10.471   1.191
   44   2HG   ARG  26          1HG       ARG  26   3.462  -9.748  -0.170
   45   1HD   ARG  26          2HD       ARG  26   5.819  -9.124  -1.014
   46   2HD   ARG  26          1HD       ARG  26   6.384 -10.329   0.140
   47    HE   ARG  26           HE       ARG  26   4.541 -10.905  -2.091
   48   1HH1  ARG  26          1HH1      ARG  26   7.101 -11.879   0.098
   49   2HH1  ARG  26          2HH1      ARG  26   7.333 -13.419  -0.668
   50   1HH2  ARG  26          1HH2      ARG  26   4.842 -12.917  -3.098
   51   2HH2  ARG  26          2HH2      ARG  26   6.055 -14.009  -2.491
   52    H    PHE  27           H        PHE  27   5.991  -6.322   0.484
   53    HA   PHE  27           HA       PHE  27   8.719  -7.167  -0.218
   54   1HB   PHE  27          2HB       PHE  27   7.326  -7.887  -2.017
   55   2HB   PHE  27          1HB       PHE  27   6.445  -6.367  -2.036
   56    HD1  PHE  27           1HD      PHE  27   9.804  -7.817  -2.640
   57    HD2  PHE  27           2HD      PHE  27   7.069  -4.678  -3.511
   58    HE1  PHE  27           1HE      PHE  27  11.327  -6.985  -4.376
   59    HE2  PHE  27           2HE      PHE  27   8.584  -3.839  -5.259
   60    HZ   PHE  27           HZ       PHE  27  10.666  -4.964  -5.728
   61    HA   PRO  28           HA       PRO  28   9.317  -2.861   0.953
   62   1HB   PRO  28          2HB       PRO  28  12.030  -3.001   1.002
   63   2HB   PRO  28          1HB       PRO  28  11.013  -3.567   2.332
   64   1HG   PRO  28          2HG       PRO  28  12.338  -5.135   0.157
   65   2HG   PRO  28          1HG       PRO  28  12.187  -5.517   1.882
   66   1HD   PRO  28          2HD       PRO  28  10.596  -6.624  -0.023
   67   2HD   PRO  28          1HD       PRO  28  10.056  -6.339   1.643
   68    H    GLY  29           H        GLY  29  10.548  -1.059  -0.050
   69   1HA   GLY  29          2HA       GLY  29  11.696  -0.251  -2.052
   70   2HA   GLY  29          1HA       GLY  29  10.890  -1.535  -2.951
   71    H    VAL  30           H        VAL  30   8.361  -1.442  -2.440
   72    HA   VAL  30           HA       VAL  30   7.509   1.316  -2.987
   73    HB   VAL  30           HB       VAL  30   5.845  -1.213  -3.128
   74   1HG1  VAL  30          1HG1      VAL  30   5.275   1.598  -4.058
   75   2HG1  VAL  30          2HG1      VAL  30   4.519   0.770  -2.697
   76   3HG1  VAL  30          3HG1      VAL  30   4.241   0.197  -4.342
   77   1HG2  VAL  30          1HG2      VAL  30   7.130   0.359  -5.360
   78   2HG2  VAL  30          2HG2      VAL  30   5.970  -0.957  -5.570
   79   3HG2  VAL  30          3HG2      VAL  30   7.551  -1.278  -4.851
   80    H    ALA  31           H        ALA  31   7.228   2.392  -1.125
   81    HA   ALA  31           HA       ALA  31   5.994   1.002   1.136
   82   1HB   ALA  31          1HB       ALA  31   6.711   2.947   2.461
   83   2HB   ALA  31          2HB       ALA  31   7.386   3.677   1.002
   84   3HB   ALA  31          3HB       ALA  31   8.061   2.174   1.629
   85    H    ILE  32           H        ILE  32   3.971   1.503   1.839
   86    HA   ILE  32           HA       ILE  32   2.482   3.438   0.182
   87    HB   ILE  32           HB       ILE  32   1.475   0.741   1.065
   88   1HG1  ILE  32          2HG1      ILE  32   2.488   1.521  -1.682
   89   2HG1  ILE  32          1HG1      ILE  32   3.387   0.538  -0.530
   90   1HG2  ILE  32          1HG2      ILE  32  -0.238   2.405   0.660
   91   2HG2  ILE  32          2HG2      ILE  32  -0.289   1.126  -0.552
   92   3HG2  ILE  32          3HG2      ILE  32   0.410   2.696  -0.956
   93   1HD1  ILE  32          1HD1      ILE  32   2.352  -0.868  -2.167
   94   2HD1  ILE  32          2HD1      ILE  32   0.771  -0.157  -1.830
   95   3HD1  ILE  32          3HD1      ILE  32   1.583  -1.127  -0.601
   96    H    TYR  33           H        TYR  33   1.604   4.936   1.540
   97    HA   TYR  33           HA       TYR  33   0.730   3.989   4.177
   98   1HB   TYR  33          2HB       TYR  33   2.344   5.766   4.397
   99   2HB   TYR  33          1HB       TYR  33   1.490   6.758   3.221
  100    HD1  TYR  33           1HD      TYR  33   0.021   8.380   3.981
  101    HD2  TYR  33           2HD      TYR  33   0.959   5.110   6.536
  102    HE1  TYR  33           1HE      TYR  33  -1.291   9.418   5.777
  103    HE2  TYR  33           2HE      TYR  33  -0.355   6.140   8.344
  104    HH   TYR  33           HH       TYR  33  -1.250   8.216   9.031
  105    H    LEU  34           H        LEU  34  -1.359   4.076   4.680
  106    HA   LEU  34           HA       LEU  34  -3.210   5.082   2.634
  107   1HB   LEU  34          2HB       LEU  34  -4.010   3.441   5.016
  108   2HB   LEU  34          1HB       LEU  34  -4.835   3.619   3.480
  109    HG   LEU  34           HG       LEU  34  -2.234   2.134   3.818
  110   1HD1  LEU  34          1HD1      LEU  34  -4.040   1.059   5.078
  111   2HD1  LEU  34          2HD1      LEU  34  -3.544   0.099   3.683
  112   3HD1  LEU  34          3HD1      LEU  34  -5.035   1.041   3.621
  113   1HD2  LEU  34          1HD2      LEU  34  -2.804   1.228   1.607
  114   2HD2  LEU  34          2HD2      LEU  34  -2.589   2.979   1.578
  115   3HD2  LEU  34          3HD2      LEU  34  -4.213   2.292   1.549
  116    H    VAL  35           H        VAL  35  -4.519   6.806   3.136
  117    HA   VAL  35           HA       VAL  35  -4.012   8.242   5.561
  118    HB   VAL  35           HB       VAL  35  -6.261   8.691   3.605
  119   1HG1  VAL  35          1HG1      VAL  35  -6.510   9.813   5.779
  120   2HG1  VAL  35          2HG1      VAL  35  -6.272  10.962   4.467
  121   3HG1  VAL  35          3HG1      VAL  35  -4.936  10.577   5.552
  122   1HG2  VAL  35          1HG2      VAL  35  -4.797  10.301   2.506
  123   2HG2  VAL  35          2HG2      VAL  35  -4.090   8.689   2.468
  124   3HG2  VAL  35          3HG2      VAL  35  -3.492   9.887   3.617
  125    H    GLU  36           H        GLU  36  -4.593   7.182   7.321
  126    HA   GLU  36           HA       GLU  36  -6.632   5.330   7.580
  127   1HB   GLU  36          2HB       GLU  36  -5.383   6.978   9.779
  128   2HB   GLU  36          1HB       GLU  36  -6.255   5.464   9.986
  129   1HG   GLU  36          2HG       GLU  36  -4.543   4.343   8.583
  130   2HG   GLU  36          1HG       GLU  36  -3.651   5.862   8.528
  131    HA   PRO  37           HA       PRO  37  -9.435   8.773   9.596
  132   1HB   PRO  37          2HB       PRO  37  -9.001  11.308   8.654
  133   2HB   PRO  37          1HB       PRO  37  -8.343  10.692  10.173
  134   1HG   PRO  37          2HG       PRO  37  -7.031  10.922   7.494
  135   2HG   PRO  37          1HG       PRO  37  -6.375  11.298   9.099
  136   1HD   PRO  37          2HD       PRO  37  -5.757   9.017   7.833
  137   2HD   PRO  37          1HD       PRO  37  -5.968   9.076   9.595
  138    H    ARG  38           H        ARG  38  -8.374   8.490   6.357
  139    HA   ARG  38           HA       ARG  38 -11.128   8.879   5.444
  140   1HB   ARG  38          2HB       ARG  38  -8.670  10.119   4.230
  141   2HB   ARG  38          1HB       ARG  38 -10.116   9.824   3.272
  142   1HG   ARG  38          2HG       ARG  38  -9.924  11.552   5.732
  143   2HG   ARG  38          1HG       ARG  38 -10.077  12.106   4.063
  144   1HD   ARG  38          2HD       ARG  38 -12.250  11.012   3.893
  145   2HD   ARG  38          1HD       ARG  38 -12.096  10.431   5.548
  146    HE   ARG  38           HE       ARG  38 -12.400  13.262   4.767
  147   1HH1  ARG  38          1HH1      ARG  38 -12.621  10.693   7.142
  148   2HH1  ARG  38          2HH1      ARG  38 -13.564  11.633   8.257
  149   1HH2  ARG  38          1HH2      ARG  38 -13.649  14.503   6.245
  150   2HH2  ARG  38          2HH2      ARG  38 -14.150  13.780   7.747
  151    H    MET  39           H        MET  39 -10.643   6.506   5.940
  152    HA   MET  39           HA       MET  39 -10.400   5.152   3.421
  153   1HB   MET  39          2HB       MET  39  -8.025   5.333   4.164
  154   2HB   MET  39          1HB       MET  39  -8.448   4.462   5.631
  155   1HG   MET  39          2HG       MET  39  -7.416   2.956   4.087
  156   2HG   MET  39          1HG       MET  39  -9.117   2.531   4.253
  157   1HE   MET  39          1HE       MET  39  -7.692   5.574   2.196
  158   2HE   MET  39          2HE       MET  39  -7.403   4.816   0.626
  159   3HE   MET  39          3HE       MET  39  -6.445   4.336   2.028
  160    H    GLY  40           H        GLY  40 -12.371   4.234   3.644
  161   1HA   GLY  40          2HA       GLY  40 -13.601   3.259   5.913
  162   2HA   GLY  40          1HA       GLY  40 -13.868   2.615   4.298
  163    H    ARG  41           H        ARG  41 -13.630   1.357   7.027
  164    HA   ARG  41           HA       ARG  41 -11.051   0.036   7.027
  165   1HB   ARG  41          2HB       ARG  41 -11.696  -1.005   9.074
  166   2HB   ARG  41          1HB       ARG  41 -12.213   0.673   9.140
  167   1HG   ARG  41          2HG       ARG  41 -14.478   0.083   8.794
  168   2HG   ARG  41          1HG       ARG  41 -14.047  -1.579   8.378
  169   1HD   ARG  41          2HD       ARG  41 -13.236  -1.949  10.636
  170   2HD   ARG  41          1HD       ARG  41 -13.619  -0.281  11.061
  171    HE   ARG  41           HE       ARG  41 -15.742  -2.116  10.174
  172   1HH1  ARG  41          1HH1      ARG  41 -14.281  -0.087  12.621
  173   2HH1  ARG  41          2HH1      ARG  41 -15.705  -0.039  13.617
  174   1HH2  ARG  41          1HH2      ARG  41 -17.606  -2.123  11.526
  175   2HH2  ARG  41          2HH2      ARG  41 -17.579  -1.227  13.019
  176    H    SER  42           H        SER  42 -14.275  -0.678   5.949
  177    HA   SER  42           HA       SER  42 -14.049  -3.478   5.767
  178   1HB   SER  42          2HB       SER  42 -15.632  -1.635   3.959
  179   2HB   SER  42          1HB       SER  42 -15.932  -3.351   4.237
  180    HG   SER  42           HG       SER  42 -17.089  -1.493   5.510
  181    H    ARG  43           H        ARG  43 -13.196  -0.873   3.540
  182    HA   ARG  43           HA       ARG  43 -12.142  -2.743   1.589
  183   1HB   ARG  43          2HB       ARG  43 -13.288  -0.398   1.199
  184   2HB   ARG  43          1HB       ARG  43 -11.661   0.207   1.458
  185   1HG   ARG  43          2HG       ARG  43 -12.007  -1.995  -0.496
  186   2HG   ARG  43          1HG       ARG  43 -12.603  -0.401  -0.946
  187   1HD   ARG  43          2HD       ARG  43  -9.777  -1.144  -0.182
  188   2HD   ARG  43          1HD       ARG  43 -10.356  -0.677  -1.778
  189    HE   ARG  43           HE       ARG  43  -9.308   1.077   0.024
  190   1HH1  ARG  43          1HH1      ARG  43 -12.281   0.915  -1.849
  191   2HH1  ARG  43          2HH1      ARG  43 -12.735   2.558  -1.480
  192   1HH2  ARG  43          1HH2      ARG  43  -9.922   3.204   0.502
  193   2HH2  ARG  43          2HH2      ARG  43 -11.413   3.838  -0.130
  194    H    ARG  44           H        ARG  44 -11.004  -0.611   4.128
  195    HA   ARG  44           HA       ARG  44  -8.269  -0.613   3.578
  196   1HB   ARG  44          2HB       ARG  44  -9.321   0.783   5.333
  197   2HB   ARG  44          1HB       ARG  44  -9.603  -0.658   6.295
  198   1HG   ARG  44          2HG       ARG  44  -6.813  -0.157   5.480
  199   2HG   ARG  44          1HG       ARG  44  -7.513   0.964   6.647
  200   1HD   ARG  44          2HD       ARG  44  -8.136  -0.940   8.076
  201   2HD   ARG  44          1HD       ARG  44  -7.395  -2.040   6.915
  202    HE   ARG  44           HE       ARG  44  -5.276  -0.721   7.413
  203   1HH1  ARG  44          1HH1      ARG  44  -7.825  -1.255   9.776
  204   2HH1  ARG  44          2HH1      ARG  44  -6.752  -1.105  11.136
  205   1HH2  ARG  44          1HH2      ARG  44  -3.881  -0.555   9.189
  206   2HH2  ARG  44          2HH2      ARG  44  -4.497  -0.751  10.806
  207    H    ALA  45           H        ALA  45 -10.050  -2.789   5.794
  208    HA   ALA  45           HA       ALA  45  -7.940  -4.509   6.341
  209   1HB   ALA  45          1HB       ALA  45 -10.867  -5.192   6.156
  210   2HB   ALA  45          2HB       ALA  45 -10.062  -4.496   7.560
  211   3HB   ALA  45          3HB       ALA  45  -9.637  -6.118   7.014
  212    H    PHE  46           H        PHE  46 -10.401  -4.720   3.818
  213    HA   PHE  46           HA       PHE  46  -9.627  -7.089   2.637
  214   1HB   PHE  46          2HB       PHE  46 -11.572  -6.517   1.677
  215   2HB   PHE  46          1HB       PHE  46 -11.321  -4.809   1.992
  216    HD1  PHE  46           1HD      PHE  46 -11.030  -7.496  -0.455
  217    HD2  PHE  46           2HD      PHE  46 -10.279  -3.395   0.354
  218    HE1  PHE  46           1HE      PHE  46 -10.716  -7.079  -2.859
  219    HE2  PHE  46           2HE      PHE  46  -9.953  -2.969  -2.021
  220    HZ   PHE  46           HZ       PHE  46 -10.174  -4.807  -3.653
  221    H    LEU  47           H        LEU  47  -8.532  -3.781   1.770
  222    HA   LEU  47           HA       LEU  47  -6.667  -4.744  -0.161
  223   1HB   LEU  47          2HB       LEU  47  -6.003  -2.524  -0.453
  224   2HB   LEU  47          1HB       LEU  47  -7.707  -2.430  -0.060
  225    HG   LEU  47           HG       LEU  47  -6.690  -2.128   2.400
  226   1HD1  LEU  47          1HD1      LEU  47  -4.623  -0.928   0.561
  227   2HD1  LEU  47          2HD1      LEU  47  -4.373  -2.259   1.689
  228   3HD1  LEU  47          3HD1      LEU  47  -4.743  -0.648   2.297
  229   1HD2  LEU  47          1HD2      LEU  47  -8.283  -0.649   1.279
  230   2HD2  LEU  47          2HD2      LEU  47  -6.964   0.075   0.358
  231   3HD2  LEU  47          3HD2      LEU  47  -7.024   0.266   2.110
  232    H    THR  48           H        THR  48  -6.448  -4.071   3.295
  233    HA   THR  48           HA       THR  48  -3.634  -3.895   3.398
  234    HB   THR  48           HB       THR  48  -5.590  -4.707   5.565
  235    HG1  THR  48           1HG      THR  48  -5.880  -2.582   4.675
  236   1HG2  THR  48          1HG2      THR  48  -3.845  -4.055   7.144
  237   2HG2  THR  48          2HG2      THR  48  -2.740  -3.739   5.806
  238   3HG2  THR  48          3HG2      THR  48  -3.297  -5.382   6.120
  239    H    GLY  49           H        GLY  49  -5.829  -6.596   4.236
  240   1HA   GLY  49          2HA       GLY  49  -3.817  -8.532   4.534
  241   2HA   GLY  49          1HA       GLY  49  -5.502  -8.864   4.154
  242    H    LEU  50           H        LEU  50  -5.738  -7.626   1.707
  243    HA   LEU  50           HA       LEU  50  -4.676  -9.597  -0.006
  244   1HB   LEU  50          2HB       LEU  50  -5.985  -6.965  -0.568
  245   2HB   LEU  50          1HB       LEU  50  -5.300  -7.918  -1.870
  246    HG   LEU  50           HG       LEU  50  -7.575  -8.677  -0.046
  247   1HD1  LEU  50          1HD1      LEU  50  -7.355  -8.319  -3.029
  248   2HD1  LEU  50          2HD1      LEU  50  -8.154  -7.222  -1.902
  249   3HD1  LEU  50          3HD1      LEU  50  -8.799  -8.844  -2.162
  250   1HD2  LEU  50          1HD2      LEU  50  -6.142 -10.377  -2.086
  251   2HD2  LEU  50          2HD2      LEU  50  -7.644 -10.806  -1.268
  252   3HD2  LEU  50          3HD2      LEU  50  -6.156 -10.630  -0.340
  253    H    ALA  51           H        ALA  51  -3.781  -6.158   0.234
  254    HA   ALA  51           HA       ALA  51  -1.699  -6.218  -1.593
  255   1HB   ALA  51          1HB       ALA  51  -1.004  -4.141  -0.709
  256   2HB   ALA  51          2HB       ALA  51  -1.744  -4.481   0.856
  257   3HB   ALA  51          3HB       ALA  51  -2.765  -4.205  -0.561
  258    H    ARG  52           H        ARG  52  -1.651  -6.974   1.868
  259    HA   ARG  52           HA       ARG  52   1.157  -7.332   2.075
  260   1HB   ARG  52          2HB       ARG  52  -1.159  -8.319   3.730
  261   2HB   ARG  52          1HB       ARG  52   0.500  -8.759   4.103
  262   1HG   ARG  52          2HG       ARG  52   1.077  -6.421   4.416
  263   2HG   ARG  52          1HG       ARG  52  -0.570  -5.948   3.988
  264   1HD   ARG  52          2HD       ARG  52  -1.447  -7.115   5.909
  265   2HD   ARG  52          1HD       ARG  52   0.152  -7.741   6.299
  266    HE   ARG  52           HE       ARG  52   0.444  -5.019   6.317
  267   1HH1  ARG  52          1HH1      ARG  52  -1.616  -7.305   7.958
  268   2HH1  ARG  52          2HH1      ARG  52  -1.728  -6.376   9.419
  269   1HH2  ARG  52          1HH2      ARG  52   0.320  -3.759   8.240
  270   2HH2  ARG  52          2HH2      ARG  52  -0.616  -4.356   9.580
  271    H    SER  53           H        SER  53  -1.503  -9.527   1.306
  272    HA   SER  53           HA       SER  53   0.173 -11.824   1.056
  273   1HB   SER  53          2HB       SER  53  -2.595 -11.322  -0.070
  274   2HB   SER  53          1HB       SER  53  -1.807 -12.893   0.082
  275    HG   SER  53           HG       SER  53  -2.700 -11.159   2.143
  276    H    LYS  54           H        LYS  54  -0.697  -9.202  -1.025
  277    HA   LYS  54           HA       LYS  54  -0.076 -10.488  -3.496
  278   1HB   LYS  54          2HB       LYS  54  -0.422  -7.595  -2.729
  279   2HB   LYS  54          1HB       LYS  54  -0.008  -8.093  -4.361
  280   1HG   LYS  54          2HG       LYS  54  -2.469  -8.997  -2.886
  281   2HG   LYS  54          1HG       LYS  54  -2.416  -7.642  -4.017
  282   1HD   LYS  54          2HD       LYS  54  -1.648  -9.172  -5.776
  283   2HD   LYS  54          1HD       LYS  54  -1.767 -10.518  -4.643
  284   1HE   LYS  54          2HE       LYS  54  -4.165 -10.090  -4.395
  285   2HE   LYS  54          1HE       LYS  54  -4.041  -8.752  -5.537
  286   1HZ   LYS  54          1HZ       LYS  54  -3.557 -11.628  -6.112
  287   2HZ   LYS  54          2HZ       LYS  54  -3.278 -10.374  -7.218
  288   3HZ   LYS  54          3HZ       LYS  54  -4.851 -10.682  -6.670
  289    H    GLY  55           H        GLY  55   1.622  -7.844  -1.774
  290   1HA   GLY  55          2HA       GLY  55   4.153  -8.605  -1.803
  291   2HA   GLY  55          1HA       GLY  55   3.913  -8.312  -3.518
  292    H    PHE  56           H        PHE  56   2.755  -6.456  -0.635
  293    HA   PHE  56           HA       PHE  56   4.232  -4.184  -1.755
  294   1HB   PHE  56          2HB       PHE  56   1.379  -4.198  -0.768
  295   2HB   PHE  56          1HB       PHE  56   2.293  -2.750  -1.170
  296    HD1  PHE  56           1HD      PHE  56   3.266  -2.642  -3.562
  297    HD2  PHE  56           2HD      PHE  56   0.102  -5.228  -2.386
  298    HE1  PHE  56           1HE      PHE  56   2.552  -2.833  -5.908
  299    HE2  PHE  56           2HE      PHE  56  -0.617  -5.421  -4.728
  300    HZ   PHE  56           HZ       PHE  56   0.610  -4.227  -6.493
  301    H    ARG  57           H        ARG  57   5.256  -2.925  -0.340
  302    HA   ARG  57           HA       ARG  57   5.249  -3.596   2.469
  303   1HB   ARG  57          2HB       ARG  57   7.270  -2.870   1.119
  304   2HB   ARG  57          1HB       ARG  57   6.589  -1.255   1.178
  305   1HG   ARG  57          2HG       ARG  57   6.634  -1.429   3.673
  306   2HG   ARG  57          1HG       ARG  57   7.574  -2.912   3.473
  307   1HD   ARG  57          2HD       ARG  57   9.169  -1.562   2.060
  308   2HD   ARG  57          1HD       ARG  57   8.302  -0.126   2.600
  309    HE   ARG  57           HE       ARG  57   9.911  -1.920   4.299
  310   1HH1  ARG  57          1HH1      ARG  57   8.177   1.092   3.871
  311   2HH1  ARG  57          2HH1      ARG  57   8.957   1.874   5.211
  312   1HH2  ARG  57          1HH2      ARG  57  10.926  -0.890   6.055
  313   2HH2  ARG  57          2HH2      ARG  57  10.513   0.753   6.444
  314    H    VAL  58           H        VAL  58   3.149  -3.047   3.069
  315    HA   VAL  58           HA       VAL  58   2.109  -0.469   2.853
  316    HB   VAL  58           HB       VAL  58   1.534  -2.713   4.740
  317   1HG1  VAL  58          1HG1      VAL  58  -0.631  -1.595   5.181
  318   2HG1  VAL  58          2HG1      VAL  58  -0.097  -0.220   4.213
  319   3HG1  VAL  58          3HG1      VAL  58   0.736  -0.618   5.716
  320   1HG2  VAL  58          1HG2      VAL  58   1.141  -3.258   2.405
  321   2HG2  VAL  58          2HG2      VAL  58   0.118  -1.832   2.231
  322   3HG2  VAL  58          3HG2      VAL  58  -0.385  -3.155   3.285
  323    H    LEU  59           H        LEU  59   2.684   1.283   3.842
  324    HA   LEU  59           HA       LEU  59   4.699   1.370   5.862
  325   1HB   LEU  59          2HB       LEU  59   4.202   3.001   3.933
  326   2HB   LEU  59          1HB       LEU  59   2.928   3.632   4.951
  327    HG   LEU  59           HG       LEU  59   5.072   4.939   4.934
  328   1HD1  LEU  59          1HD1      LEU  59   5.083   5.334   7.351
  329   2HD1  LEU  59          2HD1      LEU  59   4.101   3.886   7.578
  330   3HD1  LEU  59          3HD1      LEU  59   3.453   5.262   6.684
  331   1HD2  LEU  59          1HD2      LEU  59   6.911   4.112   6.332
  332   2HD2  LEU  59          2HD2      LEU  59   6.647   3.109   4.905
  333   3HD2  LEU  59          3HD2      LEU  59   6.081   2.563   6.484
  334    H    ASP  60           H        ASP  60   4.448   1.484   8.026
  335    HA   ASP  60           HA       ASP  60   1.851   1.146   9.156
  336   1HB   ASP  60          2HB       ASP  60   3.990   0.010   9.898
  337   2HB   ASP  60          1HB       ASP  60   4.474   1.544  10.609
  338    H    ALA  61           H        ALA  61   2.918   2.698  11.662
  339    HA   ALA  61           HA       ALA  61   1.177   4.916  11.035
  340   1HB   ALA  61          1HB       ALA  61   2.452   4.203  13.664
  341   2HB   ALA  61          2HB       ALA  61   0.898   3.595  13.090
  342   3HB   ALA  61          3HB       ALA  61   1.109   5.319  13.403
  343    H    CYS  62           H        CYS  62   2.002   6.624  10.098
  344    HA   CYS  62           HA       CYS  62   2.936   8.673   9.986
  345   1HB   CYS  62          2HB       CYS  62   3.660   8.217  12.879
  346   2HB   CYS  62          1HB       CYS  62   3.487   9.768  12.063
  347    HG   CYS  62           HG       CYS  62   0.944  10.044  12.406
  348    H    SER  63           H        SER  63   4.613   7.499   8.584
  349    HA   SER  63           HA       SER  63   7.100   8.695   9.468
  350   1HB   SER  63          2HB       SER  63   8.415   6.707   8.606
  351   2HB   SER  63          1HB       SER  63   7.555   6.450  10.120
  352    HG   SER  63           HG       SER  63   7.373   4.753   8.481
  353    H    SER  64           H        SER  64   8.328   9.539   7.836
  354    HA   SER  64           HA       SER  64   6.890  10.081   5.414
  355   1HB   SER  64          2HB       SER  64   9.144  11.406   5.016
  356   2HB   SER  64          1HB       SER  64   7.949  11.977   6.180
  357    HG   SER  64           HG       SER  64  10.481  10.948   6.593
  358    H    GLU  65           H        GLU  65   8.498   7.457   6.182
  359    HA   GLU  65           HA       GLU  65  10.415   7.130   4.116
  360   1HB   GLU  65          2HB       GLU  65  10.472   5.873   6.221
  361   2HB   GLU  65          1HB       GLU  65   8.958   5.089   5.804
  362   1HG   GLU  65          2HG       GLU  65  10.045   4.011   3.896
  363   2HG   GLU  65          1HG       GLU  65  11.566   4.791   4.332
  364    H    ALA  66           H        ALA  66   6.992   6.923   4.170
  365    HA   ALA  66           HA       ALA  66   6.633   4.943   2.150
  366   1HB   ALA  66          1HB       ALA  66   4.728   7.106   3.032
  367   2HB   ALA  66          2HB       ALA  66   4.891   5.524   3.791
  368   3HB   ALA  66          3HB       ALA  66   4.317   5.649   2.129
  369    H    THR  67           H        THR  67   6.179   5.208  -0.086
  370    HA   THR  67           HA       THR  67   6.449   7.981  -1.061
  371    HB   THR  67           HB       THR  67   8.462   6.611  -1.580
  372    HG1  THR  67           1HG      THR  67   8.572   7.271  -3.704
  373   1HG2  THR  67          1HG2      THR  67   6.535   4.936  -3.193
  374   2HG2  THR  67          2HG2      THR  67   7.399   4.422  -1.746
  375   3HG2  THR  67          3HG2      THR  67   8.292   4.792  -3.222
  376    H    HIS  68           H        HIS  68   4.165   5.816  -0.556
  377    HA   HIS  68           HA       HIS  68   2.625   7.259  -2.605
  378   1HB   HIS  68          2HB       HIS  68   2.576   4.307  -2.033
  379   2HB   HIS  68          1HB       HIS  68   1.144   5.117  -2.659
  380    HD1  HIS  68           1HD      HIS  68   1.288   6.046  -5.099
  381    HD2  HIS  68           2HD      HIS  68   4.604   3.853  -3.886
  382    HE1  HIS  68           1HE      HIS  68   2.585   5.569  -7.198
  383    HE2  HIS  68           2HE      HIS  68   4.682   4.428  -6.407
  384    H    VAL  69           H        VAL  69   1.111   8.432  -1.736
  385    HA   VAL  69           HA       VAL  69  -0.138   7.502   0.757
  386    HB   VAL  69           HB       VAL  69  -0.092  10.281  -0.443
  387   1HG1  VAL  69          1HG1      VAL  69  -1.305   9.262   2.120
  388   2HG1  VAL  69          2HG1      VAL  69  -2.174   9.878   0.714
  389   3HG1  VAL  69          3HG1      VAL  69  -1.165  10.961   1.673
  390   1HG2  VAL  69          1HG2      VAL  69   1.268  10.883   1.511
  391   2HG2  VAL  69          2HG2      VAL  69   2.067   9.665   0.515
  392   3HG2  VAL  69          3HG2      VAL  69   1.276   9.193   2.020
  393    H    VAL  70           H        VAL  70  -2.056   6.609   0.476
  394    HA   VAL  70           HA       VAL  70  -3.650   7.303  -1.915
  395    HB   VAL  70           HB       VAL  70  -4.637   4.905  -1.343
  396   1HG1  VAL  70          1HG1      VAL  70  -3.163   3.963  -3.047
  397   2HG1  VAL  70          2HG1      VAL  70  -2.060   5.325  -2.850
  398   3HG1  VAL  70          3HG1      VAL  70  -3.682   5.589  -3.489
  399   1HG2  VAL  70          1HG2      VAL  70  -1.785   4.735  -0.401
  400   2HG2  VAL  70          2HG2      VAL  70  -2.847   3.359  -0.699
  401   3HG2  VAL  70          3HG2      VAL  70  -3.229   4.510   0.584
  402    H    MET  71           H        MET  71  -5.388   8.336  -1.452
  403    HA   MET  71           HA       MET  71  -6.875   7.772   1.030
  404   1HB   MET  71          2HB       MET  71  -5.813  10.098   0.778
  405   2HB   MET  71          1HB       MET  71  -6.962  10.369  -0.526
  406   1HG   MET  71          2HG       MET  71  -8.793   9.913   1.080
  407   2HG   MET  71          1HG       MET  71  -7.589   9.832   2.360
  408   1HE   MET  71          1HE       MET  71  -5.602  12.131   1.143
  409   2HE   MET  71          2HE       MET  71  -5.924  12.015   2.874
  410   3HE   MET  71          3HE       MET  71  -6.136  13.553   2.038
  411    H    GLU  72           H        GLU  72  -9.257   7.792   0.764
  412    HA   GLU  72           HA       GLU  72  -9.921   6.883  -1.951
  413   1HB   GLU  72          2HB       GLU  72 -11.824   5.738  -0.928
  414   2HB   GLU  72          1HB       GLU  72 -10.303   5.262  -0.181
  415   1HG   GLU  72          2HG       GLU  72 -10.735   6.506   1.753
  416   2HG   GLU  72          1HG       GLU  72 -12.043   7.402   0.984
  417    H    GLU  73           H        GLU  73 -11.690   7.557  -3.073
  418    HA   GLU  73           HA       GLU  73 -13.253   9.009  -3.867
  419   1HB   GLU  73          2HB       GLU  73 -14.082   9.239  -0.971
  420   2HB   GLU  73          1HB       GLU  73 -15.086   9.535  -2.384
  421   1HG   GLU  73          2HG       GLU  73 -14.912   7.170  -2.989
  422   2HG   GLU  73          1HG       GLU  73 -13.937   6.884  -1.546
  423    H    THR  74           H        THR  74 -10.796  10.186  -3.442
  424    HA   THR  74           HA       THR  74 -11.289  12.641  -1.922
  425    HB   THR  74           HB       THR  74  -8.630  11.724  -2.963
  426    HG1  THR  74           1HG      THR  74  -9.130   9.990  -1.779
  427   1HG2  THR  74          1HG2      THR  74  -7.857  12.916  -0.924
  428   2HG2  THR  74          2HG2      THR  74  -9.522  13.413  -0.631
  429   3HG2  THR  74          3HG2      THR  74  -8.679  13.959  -2.080
  430    H    SER  75           H        SER  75 -12.191  14.152  -3.370
  431    HA   SER  75           HA       SER  75 -11.142  14.818  -5.838
  432   1HB   SER  75          2HB       SER  75 -13.128  15.885  -4.596
  433   2HB   SER  75          1HB       SER  75 -11.927  16.888  -3.788
  434    HG   SER  75           HG       SER  75 -11.516  17.943  -5.607
  435    H    ALA  76           H        ALA  76  -9.639  16.533  -6.379
  436    HA   ALA  76           HA       ALA  76  -7.088  15.959  -5.538
  437   1HB   ALA  76          1HB       ALA  76  -6.371  17.933  -6.727
  438   2HB   ALA  76          2HB       ALA  76  -7.999  18.607  -6.651
  439   3HB   ALA  76          3HB       ALA  76  -7.686  17.161  -7.615
  440    H    GLU  77           H        GLU  77  -8.893  18.869  -4.715
  441    HA   GLU  77           HA       GLU  77  -6.995  20.125  -3.155
  442   1HB   GLU  77          2HB       GLU  77  -8.962  21.293  -2.049
  443   2HB   GLU  77          1HB       GLU  77  -8.842  21.414  -3.798
  444   1HG   GLU  77          2HG       GLU  77 -10.459  19.201  -2.711
  445   2HG   GLU  77          1HG       GLU  77 -11.104  20.830  -2.535
  446    H    GLU  78           H        GLU  78  -9.535  17.912  -1.983
  447    HA   GLU  78           HA       GLU  78  -9.103  17.980   0.686
  448   1HB   GLU  78          2HB       GLU  78  -9.642  15.545  -1.001
  449   2HB   GLU  78          1HB       GLU  78  -9.787  15.588   0.752
  450   1HG   GLU  78          2HG       GLU  78 -11.357  17.246  -1.199
  451   2HG   GLU  78          1HG       GLU  78 -11.951  15.846  -0.307
  452    H    ALA  79           H        ALA  79  -7.387  15.692  -1.475
  453    HA   ALA  79           HA       ALA  79  -5.611  14.887   0.618
  454   1HB   ALA  79          1HB       ALA  79  -5.534  14.370  -2.347
  455   2HB   ALA  79          2HB       ALA  79  -6.122  13.286  -1.079
  456   3HB   ALA  79          3HB       ALA  79  -4.404  13.673  -1.186
  457    H    VAL  80           H        VAL  80  -5.585  17.399  -1.762
  458    HA   VAL  80           HA       VAL  80  -2.808  17.991  -1.722
  459    HB   VAL  80           HB       VAL  80  -5.249  19.630  -2.391
  460   1HG1  VAL  80          1HG1      VAL  80  -3.754  21.392  -3.213
  461   2HG1  VAL  80          2HG1      VAL  80  -2.377  20.540  -2.512
  462   3HG1  VAL  80          3HG1      VAL  80  -3.641  21.188  -1.464
  463   1HG2  VAL  80          1HG2      VAL  80  -4.350  19.506  -4.656
  464   2HG2  VAL  80          2HG2      VAL  80  -4.572  17.894  -3.974
  465   3HG2  VAL  80          3HG2      VAL  80  -2.958  18.601  -4.062
  466    H    SER  81           H        SER  81  -5.565  19.085   0.186
  467    HA   SER  81           HA       SER  81  -4.113  20.868   1.855
  468   1HB   SER  81          2HB       SER  81  -6.703  19.400   2.434
  469   2HB   SER  81          1HB       SER  81  -6.108  20.836   3.271
  470    HG   SER  81           HG       SER  81  -6.952  20.600   0.573
  471    H    TRP  82           H        TRP  82  -5.187  17.506   2.232
  472    HA   TRP  82           HA       TRP  82  -3.942  16.838   4.591
  473   1HB   TRP  82          2HB       TRP  82  -5.190  15.110   3.724
  474   2HB   TRP  82          1HB       TRP  82  -4.573  15.339   2.093
  475    HD1  TRP  82           HD       TRP  82  -2.806  13.678   1.307
  476    HE1  TRP  82           1HE      TRP  82  -1.348  11.885   2.422
  477    HE3  TRP  82           3HE      TRP  82  -3.920  14.640   6.207
  478    HZ2  TRP  82           2HZ      TRP  82  -0.741  10.989   5.014
  479    HZ3  TRP  82           3HZ      TRP  82  -2.848  13.260   7.944
  480    HH2  TRP  82           HH       TRP  82  -1.291  11.472   7.352
  481    H    GLN  83           H        GLN  83  -2.478  16.928   1.354
  482    HA   GLN  83           HA       GLN  83   0.089  16.085   1.964
  483   1HB   GLN  83          2HB       GLN  83  -0.651  16.475  -0.312
  484   2HB   GLN  83          1HB       GLN  83  -0.813  18.198   0.005
  485   1HG   GLN  83          2HG       GLN  83   1.608  18.333   0.385
  486   2HG   GLN  83          1HG       GLN  83   1.747  16.621  -0.009
  487   1HE2  GLN  83          1HE2      GLN  83  -0.444  18.814  -1.607
  488   2HE2  GLN  83          2HE2      GLN  83   0.359  18.813  -3.139
  489    H    GLU  84           H        GLU  84  -1.190  19.378   2.017
  490    HA   GLU  84           HA       GLU  84   1.083  20.730   2.855
  491   1HB   GLU  84          2HB       GLU  84  -1.830  21.298   3.349
  492   2HB   GLU  84          1HB       GLU  84  -0.547  22.414   3.809
  493   1HG   GLU  84          2HG       GLU  84  -0.953  21.394   1.014
  494   2HG   GLU  84          1HG       GLU  84  -1.637  22.903   1.618
  495    H    ARG  85           H        ARG  85  -1.296  18.981   4.765
  496    HA   ARG  85           HA       ARG  85  -0.128  19.746   7.280
  497   1HB   ARG  85          2HB       ARG  85  -2.168  17.646   6.538
  498   2HB   ARG  85          1HB       ARG  85  -1.615  17.908   8.186
  499   1HG   ARG  85          2HG       ARG  85  -2.430  20.212   8.089
  500   2HG   ARG  85          1HG       ARG  85  -3.006  19.930   6.444
  501   1HD   ARG  85          2HD       ARG  85  -4.585  18.316   7.187
  502   2HD   ARG  85          1HD       ARG  85  -3.889  18.290   8.809
  503    HE   ARG  85           HE       ARG  85  -4.788  20.896   8.119
  504   1HH1  ARG  85          1HH1      ARG  85  -5.962  17.747   9.085
  505   2HH1  ARG  85          2HH1      ARG  85  -7.356  18.364   9.908
  506   1HH2  ARG  85          1HH2      ARG  85  -6.600  21.733   9.203
  507   2HH2  ARG  85          2HH2      ARG  85  -7.732  20.646   9.971
  508    H    ARG  86           H        ARG  86   0.088  17.036   5.084
  509    HA   ARG  86           HA       ARG  86   1.579  15.281   6.675
  510   1HB   ARG  86          2HB       ARG  86   0.594  14.536   4.598
  511   2HB   ARG  86          1HB       ARG  86   1.559  15.679   3.677
  512   1HG   ARG  86          2HG       ARG  86   3.583  14.477   4.280
  513   2HG   ARG  86          1HG       ARG  86   2.634  13.341   5.240
  514   1HD   ARG  86          2HD       ARG  86   3.219  12.442   3.026
  515   2HD   ARG  86          1HD       ARG  86   1.479  12.579   3.259
  516    HE   ARG  86           HE       ARG  86   1.417  13.965   1.460
  517   1HH1  ARG  86          1HH1      ARG  86   4.656  14.129   2.781
  518   2HH1  ARG  86          2HH1      ARG  86   5.281  15.084   1.474
  519   1HH2  ARG  86          1HH2      ARG  86   2.262  15.181  -0.297
  520   2HH2  ARG  86          2HH2      ARG  86   3.923  15.672  -0.278
  521    H    MET  87           H        MET  87   2.696  17.690   4.304
  522    HA   MET  87           HA       MET  87   5.439  17.350   4.879
  523   1HB   MET  87          2HB       MET  87   4.030  19.736   3.671
  524   2HB   MET  87          1HB       MET  87   5.764  19.460   3.641
  525   1HG   MET  87          2HG       MET  87   3.999  17.349   2.536
  526   2HG   MET  87          1HG       MET  87   4.201  18.829   1.609
  527   1HE   MET  87          1HE       MET  87   6.076  15.720   3.204
  528   2HE   MET  87          2HE       MET  87   6.984  17.069   3.888
  529   3HE   MET  87          3HE       MET  87   7.738  16.018   2.686
  530    H    ALA  88           H        ALA  88   2.980  19.055   6.562
  531    HA   ALA  88           HA       ALA  88   4.823  20.720   8.039
  532   1HB   ALA  88          1HB       ALA  88   2.549  21.504   7.615
  533   2HB   ALA  88          2HB       ALA  88   2.861  21.372   9.347
  534   3HB   ALA  88          3HB       ALA  88   1.902  20.139   8.527
  535    H    ALA  89           H        ALA  89   3.459  17.560   8.282
  536    HA   ALA  89           HA       ALA  89   4.082  17.259  11.106
  537   1HB   ALA  89          1HB       ALA  89   3.239  14.964  10.813
  538   2HB   ALA  89          2HB       ALA  89   3.059  15.262   9.085
  539   3HB   ALA  89          3HB       ALA  89   2.088  16.170  10.242
  540    H    ALA  90           H        ALA  90   5.437  16.570   8.017
  541    HA   ALA  90           HA       ALA  90   7.686  15.108   9.197
  542   1HB   ALA  90          1HB       ALA  90   6.938  15.619   6.308
  543   2HB   ALA  90          2HB       ALA  90   6.663  14.127   7.205
  544   3HB   ALA  90          3HB       ALA  90   8.305  14.650   6.851
  545    HA   PRO  91           HA       PRO  91  10.560  18.571   8.738
  546   1HB   PRO  91          2HB       PRO  91  12.395  17.528   6.911
  547   2HB   PRO  91          1HB       PRO  91  12.487  17.365   8.665
  548   1HG   PRO  91          2HG       PRO  91  11.480  15.435   6.630
  549   2HG   PRO  91          1HG       PRO  91  12.372  15.125   8.131
  550   1HD   PRO  91          2HD       PRO  91   9.738  14.673   7.952
  551   2HD   PRO  91          1HD       PRO  91  10.470  15.295   9.445
  552    HA   PRO  92           HA       PRO  92   8.753  20.551   5.223
  553   1HB   PRO  92          2HB       PRO  92  10.825  22.620   5.589
  554   2HB   PRO  92          1HB       PRO  92   9.067  22.761   5.675
  555   1HG   PRO  92          2HG       PRO  92  10.582  22.887   7.874
  556   2HG   PRO  92          1HG       PRO  92   8.987  22.109   7.888
  557   1HD   PRO  92          2HD       PRO  92  11.707  20.857   7.784
  558   2HD   PRO  92          1HD       PRO  92  10.273  20.356   8.704
  559    H    GLY  93           H        GLY  93  12.060  19.634   5.376
  560   1HA   GLY  93          2HA       GLY  93  12.411  20.159   2.503
  561   2HA   GLY  93          1HA       GLY  93  13.710  19.831   3.642
  562    H    CYS  94           H        CYS  94  11.036  17.832   4.134
  563    HA   CYS  94           HA       CYS  94  12.454  15.520   3.179
  564   1HB   CYS  94          2HB       CYS  94  11.100  15.428   5.235
  565   2HB   CYS  94          1HB       CYS  94   9.653  15.793   4.301
  566    HG   CYS  94           HG       CYS  94  11.119  13.144   3.008
  567    H    THR  95           H        THR  95  12.099  14.402   1.339
  568    HA   THR  95           HA       THR  95  10.792  15.634  -0.830
  569    HB   THR  95           HB       THR  95  11.658  12.759  -0.531
  570    HG1  THR  95           1HG      THR  95  13.056  15.103  -0.773
  571   1HG2  THR  95          1HG2      THR  95  11.826  12.790  -2.989
  572   2HG2  THR  95          2HG2      THR  95  11.168  14.425  -3.004
  573   3HG2  THR  95          3HG2      THR  95  10.175  13.080  -2.444
  574    HA   PRO  96           HA       PRO  96   6.635  14.343   0.198
  575   1HB   PRO  96          2HB       PRO  96   5.518  15.233  -2.139
  576   2HB   PRO  96          1HB       PRO  96   5.875  16.280  -0.760
  577   1HG   PRO  96          2HG       PRO  96   7.447  15.842  -3.267
  578   2HG   PRO  96          1HG       PRO  96   7.117  17.354  -2.401
  579   1HD   PRO  96          2HD       PRO  96   9.474  16.070  -2.187
  580   2HD   PRO  96          1HD       PRO  96   8.759  16.955  -0.823
  581    HA   PRO  97           HA       PRO  97   6.625  10.351  -1.959
  582   1HB   PRO  97          2HB       PRO  97   4.246   9.619  -0.746
  583   2HB   PRO  97          1HB       PRO  97   5.849   9.353  -0.057
  584   1HG   PRO  97          2HG       PRO  97   3.899  11.552   0.483
  585   2HG   PRO  97          1HG       PRO  97   4.901  10.636   1.625
  586   1HD   PRO  97          2HD       PRO  97   5.602  13.090   0.877
  587   2HD   PRO  97          1HD       PRO  97   6.828  11.817   1.075
  588    H    ALA  98           H        ALA  98   4.047   9.272  -2.471
  589    HA   ALA  98           HA       ALA  98   3.435  10.947  -4.797
  590   1HB   ALA  98          1HB       ALA  98   2.782   8.043  -4.312
  591   2HB   ALA  98          2HB       ALA  98   4.141   8.641  -5.263
  592   3HB   ALA  98          3HB       ALA  98   2.488   8.944  -5.797
  593    H    LEU  99           H        LEU  99   1.905  12.368  -4.137
  594    HA   LEU  99           HA       LEU  99  -0.259  11.603  -2.407
  595   1HB   LEU  99          2HB       LEU  99   0.695  13.879  -2.418
  596   2HB   LEU  99          1HB       LEU  99   0.135  14.099  -4.063
  597    HG   LEU  99           HG       LEU  99  -2.211  13.836  -3.253
  598   1HD1  LEU  99          1HD1      LEU  99  -1.771  12.540  -1.247
  599   2HD1  LEU  99          2HD1      LEU  99  -2.620  14.031  -0.839
  600   3HD1  LEU  99          3HD1      LEU  99  -0.889  13.894  -0.543
  601   1HD2  LEU  99          1HD2      LEU  99  -0.605  16.026  -1.943
  602   2HD2  LEU  99          2HD2      LEU  99  -2.346  16.048  -2.231
  603   3HD2  LEU  99          3HD2      LEU  99  -1.224  16.041  -3.595
  604    H    LEU 100           H        LEU 100  -1.743  10.233  -3.202
  605    HA   LEU 100           HA       LEU 100  -3.289  11.074  -5.474
  606   1HB   LEU 100          2HB       LEU 100  -2.981   8.630  -6.403
  607   2HB   LEU 100          1HB       LEU 100  -1.901   9.932  -6.856
  608    HG   LEU 100           HG       LEU 100  -0.406   9.100  -4.924
  609   1HD1  LEU 100          1HD1      LEU 100  -2.100   6.648  -5.349
  610   2HD1  LEU 100          2HD1      LEU 100  -2.019   7.617  -3.878
  611   3HD1  LEU 100          3HD1      LEU 100  -0.598   6.724  -4.425
  612   1HD2  LEU 100          1HD2      LEU 100  -0.767   7.387  -7.370
  613   2HD2  LEU 100          2HD2      LEU 100   0.692   7.522  -6.388
  614   3HD2  LEU 100          3HD2      LEU 100   0.118   8.913  -7.310
  615    H    ASP 101           H        ASP 101  -4.946   9.244  -5.966
  616    HA   ASP 101           HA       ASP 101  -6.273   8.654  -3.475
  617   1HB   ASP 101          2HB       ASP 101  -7.439   9.773  -5.317
  618   2HB   ASP 101          1HB       ASP 101  -7.111   8.414  -6.379
  619    H    ILE 102           H        ILE 102  -7.448   6.627  -3.212
  620    HA   ILE 102           HA       ILE 102  -5.689   4.438  -2.962
  621    HB   ILE 102           HB       ILE 102  -7.574   4.822  -1.459
  622   1HG1  ILE 102          2HG1      ILE 102  -8.433   2.484  -1.345
  623   2HG1  ILE 102          1HG1      ILE 102  -7.674   2.166  -2.902
  624   1HG2  ILE 102          1HG2      ILE 102  -9.196   5.594  -3.134
  625   2HG2  ILE 102          2HG2      ILE 102  -9.856   4.327  -2.100
  626   3HG2  ILE 102          3HG2      ILE 102  -9.338   3.943  -3.742
  627   1HD1  ILE 102          1HD1      ILE 102  -6.313   1.340  -1.077
  628   2HD1  ILE 102          2HD1      ILE 102  -6.250   2.957  -0.372
  629   3HD1  ILE 102          3HD1      ILE 102  -5.488   2.643  -1.932
  630    H    SER 103           H        SER 103  -7.211   5.548  -5.653
  631    HA   SER 103           HA       SER 103  -8.090   3.267  -7.030
  632   1HB   SER 103          2HB       SER 103  -8.569   5.589  -7.733
  633   2HB   SER 103          1HB       SER 103  -6.872   5.806  -8.153
  634    HG   SER 103           HG       SER 103  -8.852   4.255  -9.415
  635    H    TRP 104           H        TRP 104  -4.874   4.642  -6.617
  636    HA   TRP 104           HA       TRP 104  -3.570   3.127  -8.619
  637   1HB   TRP 104          2HB       TRP 104  -2.371   5.003  -7.837
  638   2HB   TRP 104          1HB       TRP 104  -2.612   4.564  -6.149
  639    HD1  TRP 104           HD       TRP 104  -0.423   3.687  -9.183
  640    HE1  TRP 104           1HE      TRP 104   1.638   2.383  -8.356
  641    HE3  TRP 104           3HE      TRP 104  -1.745   3.111  -4.278
  642    HZ2  TRP 104           2HZ      TRP 104   2.576   1.262  -5.932
  643    HZ3  TRP 104           3HZ      TRP 104  -0.226   1.904  -2.770
  644    HH2  TRP 104           HH       TRP 104   1.897   1.004  -3.585
  645    H    LEU 105           H        LEU 105  -4.529   2.419  -5.383
  646    HA   LEU 105           HA       LEU 105  -2.584   0.266  -5.104
  647   1HB   LEU 105          2HB       LEU 105  -3.168   1.744  -3.179
  648   2HB   LEU 105          1HB       LEU 105  -4.762   1.008  -3.166
  649    HG   LEU 105           HG       LEU 105  -3.816  -1.162  -2.617
  650   1HD1  LEU 105          1HD1      LEU 105  -1.131   0.209  -2.733
  651   2HD1  LEU 105          2HD1      LEU 105  -1.743  -0.955  -3.908
  652   3HD1  LEU 105          3HD1      LEU 105  -1.433  -1.460  -2.246
  653   1HD2  LEU 105          1HD2      LEU 105  -2.656   1.033  -0.904
  654   2HD2  LEU 105          2HD2      LEU 105  -2.914  -0.643  -0.415
  655   3HD2  LEU 105          3HD2      LEU 105  -4.296   0.390  -0.795
  656    H    THR 106           H        THR 106  -6.083   0.646  -5.343
  657    HA   THR 106           HA       THR 106  -6.780  -2.045  -5.148
  658    HB   THR 106           HB       THR 106  -8.781  -1.358  -6.581
  659    HG1  THR 106           1HG      THR 106  -8.575   0.486  -7.589
  660   1HG2  THR 106          1HG2      THR 106  -9.717   0.066  -4.785
  661   2HG2  THR 106          2HG2      THR 106  -8.098   0.224  -4.096
  662   3HG2  THR 106          3HG2      THR 106  -8.883  -1.355  -4.156
  663    H    GLU 107           H        GLU 107  -5.977  -0.127  -8.049
  664    HA   GLU 107           HA       GLU 107  -6.157  -2.221  -9.877
  665   1HB   GLU 107          2HB       GLU 107  -4.499   0.288  -9.933
  666   2HB   GLU 107          1HB       GLU 107  -4.708  -0.790 -11.312
  667   1HG   GLU 107          2HG       GLU 107  -6.953   0.545  -9.849
  668   2HG   GLU 107          1HG       GLU 107  -6.217   1.174 -11.322
  669    H    SER 108           H        SER 108  -3.274  -0.946  -8.194
  670    HA   SER 108           HA       SER 108  -1.402  -2.754  -9.107
  671   1HB   SER 108          2HB       SER 108  -1.589  -1.595  -6.313
  672   2HB   SER 108          1HB       SER 108  -0.155  -2.368  -6.994
  673    HG   SER 108           HG       SER 108  -1.381   0.073  -7.712
  674    H    LEU 109           H        LEU 109  -3.705  -3.211  -6.431
  675    HA   LEU 109           HA       LEU 109  -2.885  -5.799  -5.708
  676   1HB   LEU 109          2HB       LEU 109  -5.620  -4.556  -5.574
  677   2HB   LEU 109          1HB       LEU 109  -5.179  -6.074  -4.817
  678    HG   LEU 109           HG       LEU 109  -4.355  -3.294  -4.081
  679   1HD1  LEU 109          1HD1      LEU 109  -5.341  -5.674  -2.533
  680   2HD1  LEU 109          2HD1      LEU 109  -6.298  -4.266  -3.001
  681   3HD1  LEU 109          3HD1      LEU 109  -4.971  -4.090  -1.852
  682   1HD2  LEU 109          1HD2      LEU 109  -2.641  -4.209  -2.608
  683   2HD2  LEU 109          2HD2      LEU 109  -2.271  -4.548  -4.300
  684   3HD2  LEU 109          3HD2      LEU 109  -2.925  -5.820  -3.268
  685    H    GLY 110           H        GLY 110  -5.321  -4.710  -8.030
  686   1HA   GLY 110          2HA       GLY 110  -6.257  -7.204  -8.873
  687   2HA   GLY 110          1HA       GLY 110  -6.259  -5.747  -9.855
  688    H    ALA 111           H        ALA 111  -3.661  -5.223 -10.291
  689    HA   ALA 111           HA       ALA 111  -2.982  -7.170 -12.255
  690   1HB   ALA 111          1HB       ALA 111  -2.549  -4.776 -12.553
  691   2HB   ALA 111          2HB       ALA 111  -1.086  -5.739 -12.751
  692   3HB   ALA 111          3HB       ALA 111  -1.351  -4.837 -11.260
  693    H    GLY 112           H        GLY 112  -2.035  -6.649  -8.966
  694   1HA   GLY 112          2HA       GLY 112  -0.956  -8.188  -7.583
  695   2HA   GLY 112          1HA       GLY 112  -0.535  -9.133  -9.006
  696    H    GLN 113           H        GLN 113   0.143  -5.825  -9.264
  697    HA   GLN 113           HA       GLN 113   2.866  -6.031  -8.281
  698   1HB   GLN 113          2HB       GLN 113   3.896  -5.476 -10.403
  699   2HB   GLN 113          1HB       GLN 113   2.961  -6.953 -10.594
  700   1HG   GLN 113          2HG       GLN 113   1.197  -5.760 -11.701
  701   2HG   GLN 113          1HG       GLN 113   1.988  -4.218 -11.380
  702   1HE2  GLN 113          1HE2      GLN 113   3.830  -3.658 -12.556
  703   2HE2  GLN 113          2HE2      GLN 113   4.246  -4.448 -14.037
  704    HA   PRO 114           HA       PRO 114   2.136  -1.685  -7.633
  705   1HB   PRO 114          2HB       PRO 114   4.696  -0.744  -7.720
  706   2HB   PRO 114          1HB       PRO 114   4.023  -1.597  -6.326
  707   1HG   PRO 114          2HG       PRO 114   5.789  -2.626  -8.508
  708   2HG   PRO 114          1HG       PRO 114   5.838  -2.969  -6.770
  709   1HD   PRO 114          2HD       PRO 114   4.761  -4.684  -8.573
  710   2HD   PRO 114          1HD       PRO 114   4.171  -4.549  -6.905
  711    H    VAL 115           H        VAL 115   1.093  -0.896  -9.396
  712    HA   VAL 115           HA       VAL 115   2.334  -0.831 -11.977
  713    HB   VAL 115           HB       VAL 115   0.272   0.275 -12.741
  714   1HG1  VAL 115          1HG1      VAL 115  -0.186  -2.122 -10.978
  715   2HG1  VAL 115          2HG1      VAL 115   0.353  -2.141 -12.655
  716   3HG1  VAL 115          3HG1      VAL 115  -1.267  -1.569 -12.257
  717   1HG2  VAL 115          1HG2      VAL 115  -1.600   0.603 -11.189
  718   2HG2  VAL 115          2HG2      VAL 115  -0.219   1.622 -10.774
  719   3HG2  VAL 115          3HG2      VAL 115  -0.551   0.162  -9.841
  720    HA   PRO 116           HA       PRO 116   4.130   3.254 -11.832
  721   1HB   PRO 116          2HB       PRO 116   4.042   3.712 -14.544
  722   2HB   PRO 116          1HB       PRO 116   5.317   2.797 -13.735
  723   1HG   PRO 116          2HG       PRO 116   2.934   1.813 -15.237
  724   2HG   PRO 116          1HG       PRO 116   4.584   1.165 -15.195
  725   1HD   PRO 116          2HD       PRO 116   2.543   0.049 -13.813
  726   2HD   PRO 116          1HD       PRO 116   4.219   0.024 -13.227
  727    H    VAL 117           H        VAL 117   2.729   4.673 -10.978
  728    HA   VAL 117           HA       VAL 117   0.025   4.824 -11.713
  729    HB   VAL 117           HB       VAL 117   0.641   5.362  -9.469
  730   1HG1  VAL 117          1HG1      VAL 117   2.882   6.242  -9.872
  731   2HG1  VAL 117          2HG1      VAL 117   1.936   7.340  -8.866
  732   3HG1  VAL 117          3HG1      VAL 117   2.188   7.703 -10.575
  733   1HG2  VAL 117          1HG2      VAL 117  -0.449   7.588  -9.208
  734   2HG2  VAL 117          2HG2      VAL 117  -1.345   6.451 -10.213
  735   3HG2  VAL 117          3HG2      VAL 117  -0.418   7.750 -10.962
  736    H    GLU 118           H        GLU 118  -0.782   5.640 -13.477
  737    HA   GLU 118           HA       GLU 118   0.402   7.713 -15.034
  738   1HB   GLU 118          2HB       GLU 118  -2.484   6.794 -15.009
  739   2HB   GLU 118          1HB       GLU 118  -1.669   7.656 -16.304
  740   1HG   GLU 118          2HG       GLU 118  -0.251   5.745 -16.733
  741   2HG   GLU 118          1HG       GLU 118  -0.975   4.879 -15.379
  742    H    CYS 119           H        CYS 119  -0.391   9.880 -15.277
  743    HA   CYS 119           HA       CYS 119  -0.902  11.286 -12.935
  744   1HB   CYS 119          2HB       CYS 119  -1.554  12.069 -15.784
  745   2HB   CYS 119          1HB       CYS 119  -1.495  13.177 -14.418
  746    HG   CYS 119           HG       CYS 119   0.850  13.825 -15.332
  747    H    ARG 120           H        ARG 120  -3.094   9.590 -14.997
  748    HA   ARG 120           HA       ARG 120  -5.518  10.851 -14.344
  749   1HB   ARG 120          2HB       ARG 120  -5.027   7.939 -15.009
  750   2HB   ARG 120          1HB       ARG 120  -6.578   8.761 -15.080
  751   1HG   ARG 120          2HG       ARG 120  -4.182   9.440 -16.772
  752   2HG   ARG 120          1HG       ARG 120  -5.554   8.463 -17.291
  753   1HD   ARG 120          2HD       ARG 120  -5.702  11.330 -16.371
  754   2HD   ARG 120          1HD       ARG 120  -5.706  10.805 -18.053
  755    HE   ARG 120           HE       ARG 120  -7.781   9.552 -16.533
  756   1HH1  ARG 120          1HH1      ARG 120  -6.903  12.484 -18.255
  757   2HH1  ARG 120          2HH1      ARG 120  -8.555  12.978 -18.508
  758   1HH2  ARG 120          1HH2      ARG 120  -9.942  10.188 -16.870
  759   2HH2  ARG 120          2HH2      ARG 120 -10.286  11.654 -17.743
  760    H    HIS 121           H        HIS 121  -3.544   8.545 -12.614
  761    HA   HIS 121           HA       HIS 121  -5.618   8.327 -10.524
  762   1HB   HIS 121          2HB       HIS 121  -3.192   6.555 -10.937
  763   2HB   HIS 121          1HB       HIS 121  -4.458   6.323  -9.738
  764    HD1  HIS 121           1HD      HIS 121  -6.714   5.323 -10.568
  765    HD2  HIS 121           2HD      HIS 121  -3.839   5.781 -13.540
  766    HE1  HIS 121           1HE      HIS 121  -7.561   4.019 -12.538
  767    HE2  HIS 121           2HE      HIS 121  -5.909   4.489 -14.391
  768    H    ARG 122           H        ARG 122  -3.190  10.166 -11.319
  769    HA   ARG 122           HA       ARG 122  -1.747  10.319  -8.784
  770   1HB   ARG 122          2HB       ARG 122  -0.635  10.503 -11.062
  771   2HB   ARG 122          1HB       ARG 122  -1.462  12.039 -11.261
  772   1HG   ARG 122          2HG       ARG 122   0.693  12.586 -10.569
  773   2HG   ARG 122          1HG       ARG 122  -0.307  12.769  -9.130
  774   1HD   ARG 122          2HD       ARG 122   0.405  10.563  -8.357
  775   2HD   ARG 122          1HD       ARG 122   1.414  10.386  -9.795
  776    HE   ARG 122           HE       ARG 122   2.000  12.767  -8.338
  777   1HH1  ARG 122          1HH1      ARG 122   2.671   9.342  -8.575
  778   2HH1  ARG 122          2HH1      ARG 122   4.132   9.427  -7.648
  779   1HH2  ARG 122          1HH2      ARG 122   3.922  12.881  -7.092
  780   2HH2  ARG 122          2HH2      ARG 122   4.846  11.435  -6.804
  781    H    LEU 123           H        LEU 123  -4.520  10.853  -8.856
  782    HA   LEU 123           HA       LEU 123  -5.425  13.369  -9.392
  783   1HB   LEU 123          2HB       LEU 123  -6.784  11.386  -9.052
  784   2HB   LEU 123          1HB       LEU 123  -6.370  11.374  -7.352
  785    HG   LEU 123           HG       LEU 123  -7.549  13.483  -7.039
  786   1HD1  LEU 123          1HD1      LEU 123  -8.294  13.195  -9.946
  787   2HD1  LEU 123          2HD1      LEU 123  -7.228  14.426  -9.267
  788   3HD1  LEU 123          3HD1      LEU 123  -8.937  14.399  -8.829
  789   1HD2  LEU 123          1HD2      LEU 123  -8.713  11.349  -6.741
  790   2HD2  LEU 123          2HD2      LEU 123  -9.200  11.383  -8.437
  791   3HD2  LEU 123          3HD2      LEU 123  -9.802  12.609  -7.322
  792    H    GLU 124           H        GLU 124  -3.694  14.716  -8.547
  793    HA   GLU 124           HA       GLU 124  -4.704  15.901  -6.096
  794   1HB   GLU 124          2HB       GLU 124  -2.413  16.441  -5.336
  795   2HB   GLU 124          1HB       GLU 124  -2.730  14.718  -5.354
  796   1HG   GLU 124          2HG       GLU 124  -0.643  14.743  -6.241
  797   2HG   GLU 124          1HG       GLU 124  -1.596  14.861  -7.717
  Start of MODEL    9
    1   1H    GLY  20          1HT       GLY  20  13.358  -9.738  15.491
    2   2H    GLY  20          2HT       GLY  20  11.781  -9.382  15.999
    3   3H    GLY  20          3HT       GLY  20  12.837  -8.125  15.571
    4   1HA   GLY  20          1HA       GLY  20  12.879  -8.884  13.286
    5   2HA   GLY  20          2HA       GLY  20  11.808 -10.207  13.723
    6    H    THR  21           H        THR  21  11.425  -8.040  11.779
    7    HA   THR  21           HA       THR  21   9.499  -6.220  12.910
    8    HB   THR  21           HB       THR  21   9.849  -6.760   9.966
    9    HG1  THR  21           1HG      THR  21  11.590  -5.447  11.776
   10   1HG2  THR  21          1HG2      THR  21   8.058  -5.227  10.651
   11   2HG2  THR  21          2HG2      THR  21   9.332  -4.380   9.773
   12   3HG2  THR  21          3HG2      THR  21   9.237  -4.249  11.529
   13    HA   PRO  22           HA       PRO  22   5.955  -8.995  12.543
   14   1HB   PRO  22          2HB       PRO  22   4.533  -6.396  12.765
   15   2HB   PRO  22          1HB       PRO  22   4.340  -7.866  13.727
   16   1HG   PRO  22          2HG       PRO  22   5.558  -5.729  14.748
   17   2HG   PRO  22          1HG       PRO  22   6.151  -7.366  15.093
   18   1HD   PRO  22          2HD       PRO  22   7.220  -5.327  13.178
   19   2HD   PRO  22          1HD       PRO  22   8.098  -6.427  14.263
   20    HA   PRO  23           HA       PRO  23   4.764  -8.540   8.302
   21   1HB   PRO  23          2HB       PRO  23   2.024  -9.359   9.033
   22   2HB   PRO  23          1HB       PRO  23   3.198 -10.165   7.989
   23   1HG   PRO  23          2HG       PRO  23   2.587 -11.133  10.410
   24   2HG   PRO  23          1HG       PRO  23   4.234 -11.233   9.761
   25   1HD   PRO  23          2HD       PRO  23   3.102  -9.311  11.762
   26   2HD   PRO  23          1HD       PRO  23   4.664 -10.158  11.770
   27    H    SER  24           H        SER  24   4.820  -6.080   9.185
   28    HA   SER  24           HA       SER  24   2.286  -4.740   8.829
   29   1HB   SER  24          2HB       SER  24   5.116  -3.655   8.934
   30   2HB   SER  24          1HB       SER  24   3.642  -2.685   9.010
   31    HG   SER  24           HG       SER  24   4.228  -2.977  11.092
   32    H    THR  25           H        THR  25   5.276  -5.231   7.029
   33    HA   THR  25           HA       THR  25   3.835  -4.612   4.544
   34    HB   THR  25           HB       THR  25   5.473  -3.228   3.721
   35    HG1  THR  25           1HG      THR  25   7.639  -3.792   5.286
   36   1HG2  THR  25          1HG2      THR  25   4.749  -2.151   5.789
   37   2HG2  THR  25          2HG2      THR  25   6.438  -1.782   5.439
   38   3HG2  THR  25          3HG2      THR  25   6.034  -2.969   6.679
   39    H    ARG  26           H        ARG  26   5.023  -5.691   2.631
   40    HA   ARG  26           HA       ARG  26   6.093  -8.269   3.570
   41   1HB   ARG  26          2HB       ARG  26   3.597  -8.187   2.956
   42   2HB   ARG  26          1HB       ARG  26   4.144  -8.050   1.294
   43   1HG   ARG  26          2HG       ARG  26   5.113 -10.288   3.017
   44   2HG   ARG  26          1HG       ARG  26   3.524 -10.361   2.258
   45   1HD   ARG  26          2HD       ARG  26   4.687  -9.871   0.075
   46   2HD   ARG  26          1HD       ARG  26   6.208 -10.151   0.923
   47    HE   ARG  26           HE       ARG  26   4.388 -12.306   1.310
   48   1HH1  ARG  26          1HH1      ARG  26   6.628 -10.920  -0.988
   49   2HH1  ARG  26          2HH1      ARG  26   6.938 -12.420  -1.807
   50   1HH2  ARG  26          1HH2      ARG  26   4.770 -14.294   0.239
   51   2HH2  ARG  26          2HH2      ARG  26   5.874 -14.342  -1.110
   52    H    PHE  27           H        PHE  27   5.840  -5.976   0.892
   53    HA   PHE  27           HA       PHE  27   8.305  -7.125  -0.225
   54   1HB   PHE  27          2HB       PHE  27   6.538  -7.943  -1.625
   55   2HB   PHE  27          1HB       PHE  27   5.792  -6.354  -1.711
   56    HD1  PHE  27           1HD      PHE  27   8.769  -8.300  -2.757
   57    HD2  PHE  27           2HD      PHE  27   6.365  -4.848  -3.389
   58    HE1  PHE  27           1HE      PHE  27   9.974  -7.846  -4.853
   59    HE2  PHE  27           2HE      PHE  27   7.563  -4.384  -5.482
   60    HZ   PHE  27           HZ       PHE  27   9.375  -5.887  -6.223
   61    HA   PRO  28           HA       PRO  28   9.198  -2.771   0.493
   62   1HB   PRO  28          2HB       PRO  28  11.886  -2.987   0.267
   63   2HB   PRO  28          1HB       PRO  28  11.004  -3.476   1.719
   64   1HG   PRO  28          2HG       PRO  28  12.032  -5.164  -0.529
   65   2HG   PRO  28          1HG       PRO  28  12.097  -5.464   1.219
   66   1HD   PRO  28          2HD       PRO  28  10.257  -6.622  -0.406
   67   2HD   PRO  28          1HD       PRO  28   9.930  -6.229   1.294
   68    H    GLY  29           H        GLY  29  10.794  -1.210  -0.669
   69   1HA   GLY  29          2HA       GLY  29  11.674  -0.519  -2.811
   70   2HA   GLY  29          1HA       GLY  29  10.550  -1.639  -3.578
   71    H    VAL  30           H        VAL  30   8.260  -1.165  -3.385
   72    HA   VAL  30           HA       VAL  30   7.708   1.657  -3.621
   73    HB   VAL  30           HB       VAL  30   6.564   0.165  -5.127
   74   1HG1  VAL  30          1HG1      VAL  30   4.886  -1.455  -4.376
   75   2HG1  VAL  30          2HG1      VAL  30   5.346  -1.135  -2.700
   76   3HG1  VAL  30          3HG1      VAL  30   6.509  -1.862  -3.813
   77   1HG2  VAL  30          1HG2      VAL  30   5.335   2.151  -4.513
   78   2HG2  VAL  30          2HG2      VAL  30   4.622   1.308  -3.137
   79   3HG2  VAL  30          3HG2      VAL  30   4.230   0.801  -4.782
   80    H    ALA  31           H        ALA  31   6.535   2.911  -2.167
   81    HA   ALA  31           HA       ALA  31   6.017   1.675   0.448
   82   1HB   ALA  31          1HB       ALA  31   8.060   2.983   0.561
   83   2HB   ALA  31          2HB       ALA  31   6.781   3.759   1.496
   84   3HB   ALA  31          3HB       ALA  31   7.218   4.387  -0.095
   85    H    ILE  32           H        ILE  32   3.984   1.887   1.036
   86    HA   ILE  32           HA       ILE  32   2.275   3.754  -0.493
   87    HB   ILE  32           HB       ILE  32   1.437   1.099   0.655
   88   1HG1  ILE  32          2HG1      ILE  32   2.251   1.519  -2.220
   89   2HG1  ILE  32          1HG1      ILE  32   3.377   0.917  -1.005
   90   1HG2  ILE  32          1HG2      ILE  32   0.307   2.859  -1.501
   91   2HG2  ILE  32          2HG2      ILE  32  -0.350   2.594   0.116
   92   3HG2  ILE  32          3HG2      ILE  32  -0.318   1.272  -1.048
   93   1HD1  ILE  32          1HD1      ILE  32   0.793  -0.379  -1.841
   94   2HD1  ILE  32          2HD1      ILE  32   1.882  -0.977  -0.589
   95   3HD1  ILE  32          3HD1      ILE  32   2.421  -0.906  -2.268
   96    H    TYR  33           H        TYR  33   1.288   5.304   0.925
   97    HA   TYR  33           HA       TYR  33   0.741   4.336   3.633
   98   1HB   TYR  33          2HB       TYR  33   2.537   6.122   3.458
   99   2HB   TYR  33          1HB       TYR  33   1.323   7.185   2.762
  100    HD1  TYR  33           1HD      TYR  33  -0.876   7.452   4.284
  101    HD2  TYR  33           2HD      TYR  33   2.961   6.283   5.706
  102    HE1  TYR  33           1HE      TYR  33  -1.490   8.203   6.545
  103    HE2  TYR  33           2HE      TYR  33   2.355   7.026   7.965
  104    HH   TYR  33           HH       TYR  33  -0.677   7.531   9.003
  105    H    LEU  34           H        LEU  34  -1.416   4.378   4.086
  106    HA   LEU  34           HA       LEU  34  -3.131   5.878   2.223
  107   1HB   LEU  34          2HB       LEU  34  -3.959   3.540   3.944
  108   2HB   LEU  34          1HB       LEU  34  -4.920   4.337   2.712
  109    HG   LEU  34           HG       LEU  34  -2.933   3.540   1.145
  110   1HD1  LEU  34          1HD1      LEU  34  -2.142   1.319   1.809
  111   2HD1  LEU  34          2HD1      LEU  34  -2.908   1.524   3.385
  112   3HD1  LEU  34          3HD1      LEU  34  -1.578   2.580   2.907
  113   1HD2  LEU  34          1HD2      LEU  34  -4.271   1.561   0.617
  114   2HD2  LEU  34          2HD2      LEU  34  -5.282   2.985   0.866
  115   3HD2  LEU  34          3HD2      LEU  34  -5.158   1.758   2.129
  116    H    VAL  35           H        VAL  35  -4.788   7.128   3.091
  117    HA   VAL  35           HA       VAL  35  -4.197   8.416   5.505
  118    HB   VAL  35           HB       VAL  35  -6.380   9.529   5.267
  119   1HG1  VAL  35          1HG1      VAL  35  -4.819   9.270   2.704
  120   2HG1  VAL  35          2HG1      VAL  35  -4.471  10.372   4.035
  121   3HG1  VAL  35          3HG1      VAL  35  -5.945  10.571   3.086
  122   1HG2  VAL  35          1HG2      VAL  35  -6.795   7.733   2.885
  123   2HG2  VAL  35          2HG2      VAL  35  -7.872   9.010   3.450
  124   3HG2  VAL  35          3HG2      VAL  35  -7.629   7.566   4.431
  125    H    GLU  36           H        GLU  36  -4.689   7.975   7.540
  126    HA   GLU  36           HA       GLU  36  -6.152   5.543   8.101
  127   1HB   GLU  36          2HB       GLU  36  -4.568   7.358   9.915
  128   2HB   GLU  36          1HB       GLU  36  -5.290   5.831  10.398
  129   1HG   GLU  36          2HG       GLU  36  -3.855   4.601   8.965
  130   2HG   GLU  36          1HG       GLU  36  -3.275   6.070   8.182
  131    HA   PRO  37           HA       PRO  37  -8.690   8.463  10.921
  132   1HB   PRO  37          2HB       PRO  37  -8.516  11.137  10.659
  133   2HB   PRO  37          1HB       PRO  37  -7.393  10.210  11.663
  134   1HG   PRO  37          2HG       PRO  37  -7.025  11.254   8.879
  135   2HG   PRO  37          1HG       PRO  37  -5.899  11.297  10.248
  136   1HD   PRO  37          2HD       PRO  37  -5.734   9.457   8.260
  137   2HD   PRO  37          1HD       PRO  37  -5.231   9.119   9.929
  138    H    ARG  38           H        ARG  38  -8.509   8.639   7.602
  139    HA   ARG  38           HA       ARG  38 -11.313   9.398   7.383
  140   1HB   ARG  38          2HB       ARG  38  -9.970  11.480   7.078
  141   2HB   ARG  38          1HB       ARG  38  -9.145  10.720   5.729
  142   1HG   ARG  38          2HG       ARG  38 -11.167  10.665   4.443
  143   2HG   ARG  38          1HG       ARG  38 -12.110  11.236   5.822
  144   1HD   ARG  38          2HD       ARG  38 -11.058  13.364   5.770
  145   2HD   ARG  38          1HD       ARG  38  -9.837  12.806   4.629
  146    HE   ARG  38           HE       ARG  38 -12.293  12.485   3.379
  147   1HH1  ARG  38          1HH1      ARG  38 -10.451  15.162   4.703
  148   2HH1  ARG  38          2HH1      ARG  38 -11.022  16.299   3.525
  149   1HH2  ARG  38          1HH2      ARG  38 -13.024  13.985   1.822
  150   2HH2  ARG  38          2HH2      ARG  38 -12.470  15.640   1.881
  151    H    MET  39           H        MET  39 -11.015   6.958   7.152
  152    HA   MET  39           HA       MET  39 -10.938   6.223   4.364
  153   1HB   MET  39          2HB       MET  39  -8.572   6.061   4.907
  154   2HB   MET  39          1HB       MET  39  -8.935   5.113   6.338
  155   1HG   MET  39          2HG       MET  39  -8.126   3.636   4.678
  156   2HG   MET  39          1HG       MET  39  -9.854   3.345   4.856
  157   1HE   MET  39          1HE       MET  39  -7.801   5.355   1.248
  158   2HE   MET  39          2HE       MET  39  -6.968   4.493   2.543
  159   3HE   MET  39          3HE       MET  39  -7.717   6.054   2.865
  160    H    GLY  40           H        GLY  40 -12.346   4.642   3.997
  161   1HA   GLY  40          2HA       GLY  40 -13.944   3.473   5.992
  162   2HA   GLY  40          1HA       GLY  40 -13.808   2.906   4.334
  163    H    ARG  41           H        ARG  41 -13.321   2.161   7.480
  164    HA   ARG  41           HA       ARG  41 -10.918   0.662   7.449
  165   1HB   ARG  41          2HB       ARG  41 -11.455  -0.189   9.549
  166   2HB   ARG  41          1HB       ARG  41 -12.294   1.353   9.514
  167   1HG   ARG  41          2HG       ARG  41 -14.371   0.374   9.420
  168   2HG   ARG  41          1HG       ARG  41 -13.753  -1.120   8.706
  169   1HD   ARG  41          2HD       ARG  41 -12.683  -1.690  10.827
  170   2HD   ARG  41          1HD       ARG  41 -13.278  -0.192  11.539
  171    HE   ARG  41           HE       ARG  41 -15.574  -1.146  11.040
  172   1HH1  ARG  41          1HH1      ARG  41 -12.795  -3.223  11.614
  173   2HH1  ARG  41          2HH1      ARG  41 -13.741  -4.486  12.346
  174   1HH2  ARG  41          1HH2      ARG  41 -16.799  -2.792  12.021
  175   2HH2  ARG  41          2HH2      ARG  41 -16.018  -4.235  12.598
  176    H    SER  42           H        SER  42 -14.102  -0.104   6.336
  177    HA   SER  42           HA       SER  42 -13.892  -2.900   6.204
  178   1HB   SER  42          2HB       SER  42 -15.616  -2.558   4.305
  179   2HB   SER  42          1HB       SER  42 -16.048  -1.989   5.919
  180    HG   SER  42           HG       SER  42 -16.502  -0.347   4.466
  181    H    ARG  43           H        ARG  43 -13.405  -0.467   3.646
  182    HA   ARG  43           HA       ARG  43 -12.254  -2.361   1.846
  183   1HB   ARG  43          2HB       ARG  43 -13.469  -0.144   1.284
  184   2HB   ARG  43          1HB       ARG  43 -11.923   0.624   1.610
  185   1HG   ARG  43          2HG       ARG  43 -12.138  -1.624  -0.360
  186   2HG   ARG  43          1HG       ARG  43 -12.530   0.029  -0.820
  187   1HD   ARG  43          2HD       ARG  43  -9.918  -0.586   0.508
  188   2HD   ARG  43          1HD       ARG  43 -10.128  -0.892  -1.214
  189    HE   ARG  43           HE       ARG  43 -10.235   1.399  -1.611
  190   1HH1  ARG  43          1HH1      ARG  43  -9.976   0.732   1.822
  191   2HH1  ARG  43          2HH1      ARG  43  -9.683   2.388   2.245
  192   1HH2  ARG  43          1HH2      ARG  43  -9.839   3.558  -1.048
  193   2HH2  ARG  43          2HH2      ARG  43  -9.618   3.994   0.617
  194    H    ARG  44           H        ARG  44 -10.978  -0.078   4.214
  195    HA   ARG  44           HA       ARG  44  -8.283  -0.141   3.447
  196   1HB   ARG  44          2HB       ARG  44  -9.232   1.377   5.193
  197   2HB   ARG  44          1HB       ARG  44  -9.315  -0.003   6.282
  198   1HG   ARG  44          2HG       ARG  44  -6.941  -0.232   6.294
  199   2HG   ARG  44          1HG       ARG  44  -6.767   0.979   5.021
  200   1HD   ARG  44          2HD       ARG  44  -6.231   1.923   7.200
  201   2HD   ARG  44          1HD       ARG  44  -7.663   2.685   6.512
  202    HE   ARG  44           HE       ARG  44  -8.155   0.483   8.345
  203   1HH1  ARG  44          1HH1      ARG  44  -7.877   3.947   7.903
  204   2HH1  ARG  44          2HH1      ARG  44  -8.714   4.336   9.373
  205   1HH2  ARG  44          1HH2      ARG  44  -9.271   1.000  10.290
  206   2HH2  ARG  44          2HH2      ARG  44  -9.500   2.671  10.717
  207    H    ALA  45           H        ALA  45  -9.990  -2.171   5.824
  208    HA   ALA  45           HA       ALA  45  -7.795  -3.823   6.409
  209   1HB   ALA  45          1HB       ALA  45 -10.728  -4.509   6.567
  210   2HB   ALA  45          2HB       ALA  45  -9.787  -3.710   7.825
  211   3HB   ALA  45          3HB       ALA  45  -9.413  -5.370   7.368
  212    H    PHE  46           H        PHE  46 -10.439  -4.164   4.091
  213    HA   PHE  46           HA       PHE  46  -9.862  -6.606   3.007
  214   1HB   PHE  46          2HB       PHE  46 -11.795  -5.903   2.122
  215   2HB   PHE  46          1HB       PHE  46 -11.354  -4.212   2.273
  216    HD1  PHE  46           1HD      PHE  46 -11.511  -7.093   0.074
  217    HD2  PHE  46           2HD      PHE  46 -10.202  -3.076   0.481
  218    HE1  PHE  46           1HE      PHE  46 -11.277  -6.925  -2.366
  219    HE2  PHE  46           2HE      PHE  46  -9.957  -2.896  -1.934
  220    HZ   PHE  46           HZ       PHE  46 -10.497  -4.821  -3.385
  221    H    LEU  47           H        LEU  47  -8.354  -3.488   2.194
  222    HA   LEU  47           HA       LEU  47  -6.720  -4.721   0.132
  223   1HB   LEU  47          2HB       LEU  47  -5.836  -2.557  -0.280
  224   2HB   LEU  47          1HB       LEU  47  -7.560  -2.365  -0.021
  225    HG   LEU  47           HG       LEU  47  -6.673  -1.934   2.482
  226   1HD1  LEU  47          1HD1      LEU  47  -4.686  -0.489   2.377
  227   2HD1  LEU  47          2HD1      LEU  47  -4.485  -0.912   0.675
  228   3HD1  LEU  47          3HD1      LEU  47  -4.329  -2.155   1.916
  229   1HD2  LEU  47          1HD2      LEU  47  -8.180  -0.497   1.210
  230   2HD2  LEU  47          2HD2      LEU  47  -6.817   0.120   0.274
  231   3HD2  LEU  47          3HD2      LEU  47  -6.925   0.455   2.003
  232    H    THR  48           H        THR  48  -6.467  -3.817   3.486
  233    HA   THR  48           HA       THR  48  -3.684  -3.778   3.759
  234    HB   THR  48           HB       THR  48  -5.810  -4.544   5.772
  235    HG1  THR  48           1HG      THR  48  -5.912  -2.381   4.935
  236   1HG2  THR  48          1HG2      THR  48  -4.149  -4.034   7.485
  237   2HG2  THR  48          2HG2      THR  48  -2.934  -3.769   6.236
  238   3HG2  THR  48          3HG2      THR  48  -3.619  -5.377   6.471
  239    H    GLY  49           H        GLY  49  -5.995  -6.437   4.306
  240   1HA   GLY  49          2HA       GLY  49  -3.981  -8.397   4.748
  241   2HA   GLY  49          1HA       GLY  49  -5.671  -8.715   4.378
  242    H    LEU  50           H        LEU  50  -5.931  -7.531   1.926
  243    HA   LEU  50           HA       LEU  50  -4.975  -9.536   0.224
  244   1HB   LEU  50          2HB       LEU  50  -6.157  -6.842  -0.309
  245   2HB   LEU  50          1HB       LEU  50  -5.540  -7.811  -1.634
  246    HG   LEU  50           HG       LEU  50  -7.769  -8.559   0.259
  247   1HD1  LEU  50          1HD1      LEU  50  -8.406  -6.940  -1.429
  248   2HD1  LEU  50          2HD1      LEU  50  -9.127  -8.512  -1.780
  249   3HD1  LEU  50          3HD1      LEU  50  -7.722  -7.961  -2.693
  250   1HD2  LEU  50          1HD2      LEU  50  -6.465 -10.534  -0.276
  251   2HD2  LEU  50          2HD2      LEU  50  -6.529 -10.137  -1.992
  252   3HD2  LEU  50          3HD2      LEU  50  -8.006 -10.572  -1.132
  253    H    ALA  51           H        ALA  51  -3.867  -6.146   0.404
  254    HA   ALA  51           HA       ALA  51  -1.917  -6.415  -1.577
  255   1HB   ALA  51          1HB       ALA  51  -1.153  -4.273  -0.936
  256   2HB   ALA  51          2HB       ALA  51  -1.829  -4.442   0.684
  257   3HB   ALA  51          3HB       ALA  51  -2.904  -4.296  -0.709
  258    H    ARG  52           H        ARG  52  -1.671  -6.850   1.940
  259    HA   ARG  52           HA       ARG  52   1.134  -7.219   2.013
  260   1HB   ARG  52          2HB       ARG  52  -1.083  -8.151   3.828
  261   2HB   ARG  52          1HB       ARG  52   0.598  -8.555   4.138
  262   1HG   ARG  52          2HG       ARG  52   1.139  -6.160   4.248
  263   2HG   ARG  52          1HG       ARG  52  -0.566  -5.781   3.986
  264   1HD   ARG  52          2HD       ARG  52  -1.143  -6.989   6.039
  265   2HD   ARG  52          1HD       ARG  52   0.561  -7.358   6.299
  266    HE   ARG  52           HE       ARG  52   0.668  -4.715   6.229
  267   1HH1  ARG  52          1HH1      ARG  52  -1.610  -6.826   7.822
  268   2HH1  ARG  52          2HH1      ARG  52  -1.970  -5.713   9.106
  269   1HH2  ARG  52          1HH2      ARG  52   0.226  -3.229   7.931
  270   2HH2  ARG  52          2HH2      ARG  52  -0.919  -3.660   9.159
  271    H    SER  53           H        SER  53  -1.538  -9.380   1.297
  272    HA   SER  53           HA       SER  53   0.166 -11.706   1.201
  273   1HB   SER  53          2HB       SER  53  -2.702 -11.374   0.282
  274   2HB   SER  53          1HB       SER  53  -1.854 -12.901   0.520
  275    HG   SER  53           HG       SER  53  -2.711 -11.020   2.452
  276    H    LYS  54           H        LYS  54  -0.468  -9.148  -0.876
  277    HA   LYS  54           HA       LYS  54  -0.230 -10.687  -3.332
  278   1HB   LYS  54          2HB       LYS  54  -0.654  -7.764  -2.757
  279   2HB   LYS  54          1HB       LYS  54  -0.309  -8.352  -4.376
  280   1HG   LYS  54          2HG       LYS  54  -2.624  -9.304  -2.712
  281   2HG   LYS  54          1HG       LYS  54  -2.719  -7.991  -3.886
  282   1HD   LYS  54          2HD       LYS  54  -1.972  -9.527  -5.643
  283   2HD   LYS  54          1HD       LYS  54  -1.937 -10.840  -4.467
  284   1HE   LYS  54          2HE       LYS  54  -4.336 -10.550  -4.082
  285   2HE   LYS  54          1HE       LYS  54  -4.366  -9.245  -5.265
  286   1HZ   LYS  54          1HZ       LYS  54  -3.735 -10.799  -6.984
  287   2HZ   LYS  54          2HZ       LYS  54  -5.114 -11.372  -6.186
  288   3HZ   LYS  54          3HZ       LYS  54  -3.602 -12.059  -5.854
  289    H    GLY  55           H        GLY  55   1.507  -7.947  -1.861
  290   1HA   GLY  55          2HA       GLY  55   4.064  -8.560  -2.124
  291   2HA   GLY  55          1HA       GLY  55   3.652  -8.309  -3.815
  292    H    PHE  56           H        PHE  56   3.137  -6.632  -0.685
  293    HA   PHE  56           HA       PHE  56   4.026  -4.179  -1.988
  294   1HB   PHE  56          2HB       PHE  56   1.313  -4.523  -0.712
  295   2HB   PHE  56          1HB       PHE  56   2.024  -2.954  -1.083
  296    HD1  PHE  56           1HD      PHE  56   2.564  -2.404  -3.473
  297    HD2  PHE  56           2HD      PHE  56   0.228  -5.779  -2.363
  298    HE1  PHE  56           1HE      PHE  56   1.690  -2.550  -5.766
  299    HE2  PHE  56           2HE      PHE  56  -0.647  -5.932  -4.653
  300    HZ   PHE  56           HZ       PHE  56   0.081  -4.318  -6.357
  301    H    ARG  57           H        ARG  57   4.819  -2.611  -0.660
  302    HA   ARG  57           HA       ARG  57   5.049  -3.274   2.191
  303   1HB   ARG  57          2HB       ARG  57   7.152  -3.013   0.894
  304   2HB   ARG  57          1HB       ARG  57   6.692  -1.355   0.563
  305   1HG   ARG  57          2HG       ARG  57   6.654  -1.960   3.390
  306   2HG   ARG  57          1HG       ARG  57   8.234  -2.238   2.659
  307   1HD   ARG  57          2HD       ARG  57   6.618   0.306   2.509
  308   2HD   ARG  57          1HD       ARG  57   8.058   0.043   3.490
  309    HE   ARG  57           HE       ARG  57   7.947   0.375   0.588
  310   1HH1  ARG  57          1HH1      ARG  57   9.871  -0.309   3.435
  311   2HH1  ARG  57          2HH1      ARG  57  11.369   0.201   2.708
  312   1HH2  ARG  57          1HH2      ARG  57   9.919   1.049  -0.379
  313   2HH2  ARG  57          2HH2      ARG  57  11.396   0.966   0.534
  314    H    VAL  58           H        VAL  58   3.355  -2.348   3.134
  315    HA   VAL  58           HA       VAL  58   2.402   0.217   2.531
  316    HB   VAL  58           HB       VAL  58   2.056  -1.618   4.875
  317   1HG1  VAL  58          1HG1      VAL  58   0.531   0.922   4.265
  318   2HG1  VAL  58          2HG1      VAL  58   1.633   0.670   5.619
  319   3HG1  VAL  58          3HG1      VAL  58   0.120  -0.234   5.533
  320   1HG2  VAL  58          1HG2      VAL  58  -0.166  -2.048   3.900
  321   2HG2  VAL  58          2HG2      VAL  58   1.147  -2.489   2.807
  322   3HG2  VAL  58          3HG2      VAL  58   0.244  -0.996   2.545
  323    H    LEU  59           H        LEU  59   3.078   2.104   3.220
  324    HA   LEU  59           HA       LEU  59   5.465   2.311   4.839
  325   1HB   LEU  59          2HB       LEU  59   4.871   3.585   2.685
  326   2HB   LEU  59          1HB       LEU  59   3.773   4.523   3.673
  327    HG   LEU  59           HG       LEU  59   6.022   5.550   3.145
  328   1HD1  LEU  59          1HD1      LEU  59   4.602   6.469   4.832
  329   2HD1  LEU  59          2HD1      LEU  59   6.277   6.503   5.388
  330   3HD1  LEU  59          3HD1      LEU  59   5.166   5.282   6.009
  331   1HD2  LEU  59          1HD2      LEU  59   7.887   4.891   4.590
  332   2HD2  LEU  59          2HD2      LEU  59   7.415   3.617   3.469
  333   3HD2  LEU  59          3HD2      LEU  59   6.939   3.518   5.165
  334    H    ASP  60           H        ASP  60   5.313   2.420   7.025
  335    HA   ASP  60           HA       ASP  60   2.769   2.737   8.266
  336   1HB   ASP  60          2HB       ASP  60   4.859   1.279   8.925
  337   2HB   ASP  60          1HB       ASP  60   5.336   2.722   9.810
  338    H    ALA  61           H        ALA  61   3.403   4.073  10.667
  339    HA   ALA  61           HA       ALA  61   2.559   6.625   9.670
  340   1HB   ALA  61          1HB       ALA  61   2.926   5.692  12.505
  341   2HB   ALA  61          2HB       ALA  61   1.447   5.559  11.551
  342   3HB   ALA  61          3HB       ALA  61   2.074   7.149  11.991
  343    H    CYS  62           H        CYS  62   3.318   8.657  10.304
  344    HA   CYS  62           HA       CYS  62   4.857  10.295  10.537
  345   1HB   CYS  62          2HB       CYS  62   6.014   8.364  12.553
  346   2HB   CYS  62          1HB       CYS  62   6.399  10.077  12.448
  347    HG   CYS  62           HG       CYS  62   3.120   9.514  12.685
  348    H    SER  63           H        SER  63   5.358   8.782   8.320
  349    HA   SER  63           HA       SER  63   8.269   9.039   8.147
  350   1HB   SER  63          2HB       SER  63   6.758   6.712   6.938
  351   2HB   SER  63          1HB       SER  63   8.504   6.955   6.953
  352    HG   SER  63           HG       SER  63   6.941   6.694   9.311
  353    H    SER  64           H        SER  64   8.776  10.367   6.519
  354    HA   SER  64           HA       SER  64   6.796  10.809   4.401
  355   1HB   SER  64          2HB       SER  64   7.994  12.703   5.719
  356   2HB   SER  64          1HB       SER  64   9.377  12.341   4.688
  357    HG   SER  64           HG       SER  64   8.381  13.198   3.021
  358    H    GLU  65           H        GLU  65   9.094   8.676   4.930
  359    HA   GLU  65           HA       GLU  65  10.606   8.698   2.503
  360   1HB   GLU  65          2HB       GLU  65  11.351   7.642   4.655
  361   2HB   GLU  65          1HB       GLU  65  10.121   6.409   4.420
  362   1HG   GLU  65          2HG       GLU  65  11.210   5.719   2.346
  363   2HG   GLU  65          1HG       GLU  65  12.452   6.943   2.597
  364    H    ALA  66           H        ALA  66   7.438   8.258   2.973
  365    HA   ALA  66           HA       ALA  66   6.798   5.930   1.518
  366   1HB   ALA  66          1HB       ALA  66   5.163   8.449   1.809
  367   2HB   ALA  66          2HB       ALA  66   5.191   7.113   2.962
  368   3HB   ALA  66          3HB       ALA  66   4.568   6.858   1.332
  369    H    THR  67           H        THR  67   5.622   5.998  -0.590
  370    HA   THR  67           HA       THR  67   6.292   8.124  -2.399
  371    HB   THR  67           HB       THR  67   8.391   6.826  -2.375
  372    HG1  THR  67           1HG      THR  67   8.114   7.738  -4.314
  373   1HG2  THR  67          1HG2      THR  67   6.707   4.530  -3.383
  374   2HG2  THR  67          2HG2      THR  67   7.505   4.625  -1.813
  375   3HG2  THR  67          3HG2      THR  67   8.469   4.553  -3.289
  376    H    HIS  68           H        HIS  68   3.870   7.779  -1.909
  377    HA   HIS  68           HA       HIS  68   2.209   7.038  -3.749
  378   1HB   HIS  68          2HB       HIS  68   3.359   4.514  -2.752
  379   2HB   HIS  68          1HB       HIS  68   1.602   4.533  -2.771
  380    HD1  HIS  68           1HD      HIS  68   4.444   3.864  -4.880
  381    HD2  HIS  68           2HD      HIS  68   0.584   5.260  -5.482
  382    HE1  HIS  68           1HE      HIS  68   3.980   3.506  -7.317
  383    HE2  HIS  68           2HE      HIS  68   1.583   4.192  -7.621
  384    H    VAL  69           H        VAL  69   0.888   8.555  -2.512
  385    HA   VAL  69           HA       VAL  69  -0.299   7.333  -0.114
  386    HB   VAL  69           HB       VAL  69  -0.282  10.206  -1.061
  387   1HG1  VAL  69          1HG1      VAL  69  -1.580   8.980   1.371
  388   2HG1  VAL  69          2HG1      VAL  69  -2.418   9.658  -0.025
  389   3HG1  VAL  69          3HG1      VAL  69  -1.466  10.706   1.027
  390   1HG2  VAL  69          1HG2      VAL  69   0.990  10.599   0.994
  391   2HG2  VAL  69          2HG2      VAL  69   1.823   9.473  -0.079
  392   3HG2  VAL  69          3HG2      VAL  69   0.962   8.870   1.341
  393    H    VAL  70           H        VAL  70  -2.178   6.347  -0.482
  394    HA   VAL  70           HA       VAL  70  -3.761   7.142  -2.845
  395    HB   VAL  70           HB       VAL  70  -4.654   4.714  -2.515
  396   1HG1  VAL  70          1HG1      VAL  70  -3.402   5.442  -4.467
  397   2HG1  VAL  70          2HG1      VAL  70  -2.889   3.829  -3.970
  398   3HG1  VAL  70          3HG1      VAL  70  -1.888   5.231  -3.586
  399   1HG2  VAL  70          1HG2      VAL  70  -1.991   4.512  -1.138
  400   2HG2  VAL  70          2HG2      VAL  70  -2.985   3.149  -1.645
  401   3HG2  VAL  70          3HG2      VAL  70  -3.569   4.252  -0.398
  402    H    MET  71           H        MET  71  -5.386   8.382  -2.138
  403    HA   MET  71           HA       MET  71  -6.798   7.639   0.321
  404   1HB   MET  71          2HB       MET  71  -5.723   9.933  -0.088
  405   2HB   MET  71          1HB       MET  71  -7.025  10.212  -1.231
  406   1HG   MET  71          2HG       MET  71  -8.645  10.230   0.442
  407   2HG   MET  71          1HG       MET  71  -7.573   9.460   1.611
  408   1HE   MET  71          1HE       MET  71  -9.283  12.045   2.336
  409   2HE   MET  71          2HE       MET  71  -8.078  12.989   3.210
  410   3HE   MET  71          3HE       MET  71  -8.179  11.244   3.452
  411    H    GLU  72           H        GLU  72  -9.188   7.883   0.314
  412    HA   GLU  72           HA       GLU  72 -10.411   7.509  -2.347
  413   1HB   GLU  72          2HB       GLU  72 -10.238   5.534  -0.442
  414   2HB   GLU  72          1HB       GLU  72 -11.802   6.246  -0.079
  415   1HG   GLU  72          2HG       GLU  72 -10.944   5.141  -2.740
  416   2HG   GLU  72          1HG       GLU  72 -11.986   4.334  -1.580
  417    H    GLU  73           H        GLU  73 -12.680   8.197  -2.437
  418    HA   GLU  73           HA       GLU  73 -14.339   9.732  -2.118
  419   1HB   GLU  73          2HB       GLU  73 -13.609   9.369   0.799
  420   2HB   GLU  73          1HB       GLU  73 -15.098  10.089   0.199
  421   1HG   GLU  73          2HG       GLU  73 -15.844   8.029  -0.692
  422   2HG   GLU  73          1HG       GLU  73 -14.269   7.276  -0.442
  423    H    THR  74           H        THR  74 -11.781  10.704  -2.721
  424    HA   THR  74           HA       THR  74 -11.713  13.289  -1.371
  425    HB   THR  74           HB       THR  74  -9.409  11.336  -1.445
  426    HG1  THR  74           1HG      THR  74 -10.846  10.920   0.244
  427   1HG2  THR  74          1HG2      THR  74  -9.468  14.161  -0.391
  428   2HG2  THR  74          2HG2      THR  74  -8.631  13.624  -1.846
  429   3HG2  THR  74          3HG2      THR  74  -8.119  13.034  -0.265
  430    H    SER  75           H        SER  75 -11.473  14.820  -2.872
  431    HA   SER  75           HA       SER  75 -10.480  14.159  -5.501
  432   1HB   SER  75          2HB       SER  75 -11.469  16.785  -4.366
  433   2HB   SER  75          1HB       SER  75 -11.110  16.472  -6.065
  434    HG   SER  75           HG       SER  75 -13.378  16.006  -4.760
  435    H    ALA  76           H        ALA  76  -9.100  16.226  -6.401
  436    HA   ALA  76           HA       ALA  76  -6.499  15.695  -5.684
  437   1HB   ALA  76          1HB       ALA  76  -5.870  17.542  -7.016
  438   2HB   ALA  76          2HB       ALA  76  -7.416  18.357  -6.728
  439   3HB   ALA  76          3HB       ALA  76  -7.352  16.894  -7.726
  440    H    GLU  77           H        GLU  77  -8.216  18.684  -4.912
  441    HA   GLU  77           HA       GLU  77  -6.081  19.699  -3.357
  442   1HB   GLU  77          2HB       GLU  77  -7.536  21.565  -2.847
  443   2HB   GLU  77          1HB       GLU  77  -7.658  21.158  -4.550
  444   1HG   GLU  77          2HG       GLU  77  -9.630  20.392  -2.426
  445   2HG   GLU  77          1HG       GLU  77  -9.807  21.725  -3.554
  446    H    GLU  78           H        GLU  78  -9.123  18.092  -2.493
  447    HA   GLU  78           HA       GLU  78  -8.976  18.187   0.247
  448   1HB   GLU  78          2HB       GLU  78  -9.783  15.902  -1.547
  449   2HB   GLU  78          1HB       GLU  78 -10.007  15.881   0.196
  450   1HG   GLU  78          2HG       GLU  78 -11.161  17.992  -1.594
  451   2HG   GLU  78          1HG       GLU  78 -12.014  16.516  -1.149
  452    H    ALA  79           H        ALA  79  -7.320  15.801  -1.854
  453    HA   ALA  79           HA       ALA  79  -5.979  14.584   0.377
  454   1HB   ALA  79          1HB       ALA  79  -5.342  14.267  -2.556
  455   2HB   ALA  79          2HB       ALA  79  -6.531  13.311  -1.673
  456   3HB   ALA  79          3HB       ALA  79  -4.823  13.211  -1.239
  457    H    VAL  80           H        VAL  80  -5.325  17.224  -1.751
  458    HA   VAL  80           HA       VAL  80  -2.524  17.428  -1.225
  459    HB   VAL  80           HB       VAL  80  -4.541  19.485  -2.146
  460   1HG1  VAL  80          1HG1      VAL  80  -1.548  19.754  -1.926
  461   2HG1  VAL  80          2HG1      VAL  80  -2.760  20.666  -1.023
  462   3HG1  VAL  80          3HG1      VAL  80  -2.611  20.883  -2.767
  463   1HG2  VAL  80          1HG2      VAL  80  -4.107  17.707  -3.750
  464   2HG2  VAL  80          2HG2      VAL  80  -2.373  18.010  -3.632
  465   3HG2  VAL  80          3HG2      VAL  80  -3.440  19.239  -4.312
  466    H    SER  81           H        SER  81  -5.455  18.575   0.304
  467    HA   SER  81           HA       SER  81  -4.213  20.187   2.289
  468   1HB   SER  81          2HB       SER  81  -6.901  18.789   2.360
  469   2HB   SER  81          1HB       SER  81  -6.392  20.112   3.410
  470    HG   SER  81           HG       SER  81  -6.741  20.200   0.586
  471    H    TRP  82           H        TRP  82  -5.477  16.843   2.304
  472    HA   TRP  82           HA       TRP  82  -4.601  16.074   4.814
  473   1HB   TRP  82          2HB       TRP  82  -5.735  14.316   3.940
  474   2HB   TRP  82          1HB       TRP  82  -5.248  14.699   2.294
  475    HD1  TRP  82           HD       TRP  82  -3.550  13.124   1.222
  476    HE1  TRP  82           1HE      TRP  82  -2.013  11.242   2.048
  477    HE3  TRP  82           3HE      TRP  82  -4.275  13.620   6.266
  478    HZ2  TRP  82           2HZ      TRP  82  -1.192  10.126   4.499
  479    HZ3  TRP  82           3HZ      TRP  82  -3.068  12.101   7.781
  480    HH2  TRP  82           HH       TRP  82  -1.558  10.388   6.907
  481    H    GLN  83           H        GLN  83  -2.808  16.108   1.756
  482    HA   GLN  83           HA       GLN  83  -0.397  15.090   2.649
  483   1HB   GLN  83          2HB       GLN  83  -0.627  15.402   0.349
  484   2HB   GLN  83          1HB       GLN  83  -1.111  17.082   0.527
  485   1HG   GLN  83          2HG       GLN  83   1.067  17.800   0.890
  486   2HG   GLN  83          1HG       GLN  83   1.629  16.180   1.309
  487   1HE2  GLN  83          1HE2      GLN  83   0.477  18.187  -1.310
  488   2HE2  GLN  83          2HE2      GLN  83   1.281  17.319  -2.583
  489    H    GLU  84           H        GLU  84  -1.665  18.351   2.931
  490    HA   GLU  84           HA       GLU  84   0.728  19.452   4.012
  491   1HB   GLU  84          2HB       GLU  84  -2.066  20.367   3.643
  492   2HB   GLU  84          1HB       GLU  84  -1.082  21.224   4.826
  493   1HG   GLU  84          2HG       GLU  84  -0.396  20.791   1.932
  494   2HG   GLU  84          1HG       GLU  84  -1.003  22.290   2.642
  495    H    ARG  85           H        ARG  85  -2.007  17.793   5.379
  496    HA   ARG  85           HA       ARG  85  -1.356  18.379   8.122
  497   1HB   ARG  85          2HB       ARG  85  -3.028  16.221   6.823
  498   2HB   ARG  85          1HB       ARG  85  -2.764  16.287   8.558
  499   1HG   ARG  85          2HG       ARG  85  -3.945  18.572   7.006
  500   2HG   ARG  85          1HG       ARG  85  -4.916  17.282   7.719
  501   1HD   ARG  85          2HD       ARG  85  -4.039  17.828   9.928
  502   2HD   ARG  85          1HD       ARG  85  -3.033  19.095   9.226
  503    HE   ARG  85           HE       ARG  85  -5.282  20.071   8.488
  504   1HH1  ARG  85          1HH1      ARG  85  -4.846  18.213  11.438
  505   2HH1  ARG  85          2HH1      ARG  85  -6.080  19.072  12.309
  506   1HH2  ARG  85          1HH2      ARG  85  -6.929  21.158   9.611
  507   2HH2  ARG  85          2HH2      ARG  85  -7.281  20.738  11.265
  508    H    ARG  86           H        ARG  86  -0.764  15.772   5.873
  509    HA   ARG  86           HA       ARG  86   0.869  14.138   7.439
  510   1HB   ARG  86          2HB       ARG  86  -0.023  13.375   5.336
  511   2HB   ARG  86          1HB       ARG  86   0.825  14.636   4.459
  512   1HG   ARG  86          2HG       ARG  86   2.907  13.593   4.756
  513   2HG   ARG  86          1HG       ARG  86   2.276  12.516   6.002
  514   1HD   ARG  86          2HD       ARG  86   2.661  11.496   3.703
  515   2HD   ARG  86          1HD       ARG  86   1.087  11.216   4.435
  516    HE   ARG  86           HE       ARG  86   0.132  12.306   2.692
  517   1HH1  ARG  86          1HH1      ARG  86   3.442  13.420   2.883
  518   2HH1  ARG  86          2HH1      ARG  86   3.421  14.152   1.310
  519   1HH2  ARG  86          1HH2      ARG  86   0.115  13.235   0.597
  520   2HH2  ARG  86          2HH2      ARG  86   1.533  14.050   0.006
  521    H    MET  87           H        MET  87   1.754  16.888   5.352
  522    HA   MET  87           HA       MET  87   4.527  16.765   5.884
  523   1HB   MET  87          2HB       MET  87   2.778  19.037   4.957
  524   2HB   MET  87          1HB       MET  87   4.518  19.181   5.118
  525   1HG   MET  87          2HG       MET  87   3.285  17.059   3.408
  526   2HG   MET  87          1HG       MET  87   3.534  18.694   2.811
  527   1HE   MET  87          1HE       MET  87   6.020  16.279   5.073
  528   2HE   MET  87          2HE       MET  87   6.757  15.529   3.657
  529   3HE   MET  87          3HE       MET  87   5.022  15.379   3.931
  530    H    ALA  88           H        ALA  88   1.866  18.221   7.607
  531    HA   ALA  88           HA       ALA  88   3.352  19.969   9.237
  532   1HB   ALA  88          1HB       ALA  88   0.727  18.603   9.819
  533   2HB   ALA  88          2HB       ALA  88   0.937  20.148   8.992
  534   3HB   ALA  88          3HB       ALA  88   1.382  19.987  10.691
  535    H    ALA  89           H        ALA  89   3.051  16.556   9.283
  536    HA   ALA  89           HA       ALA  89   3.967  16.347  12.050
  537   1HB   ALA  89          1HB       ALA  89   3.247  14.196  10.063
  538   2HB   ALA  89          2HB       ALA  89   2.201  14.823  11.334
  539   3HB   ALA  89          3HB       ALA  89   3.665  13.931  11.755
  540    H    ALA  90           H        ALA  90   5.145  16.204   8.813
  541    HA   ALA  90           HA       ALA  90   7.585  14.797   9.545
  542   1HB   ALA  90          1HB       ALA  90   8.112  14.896   7.164
  543   2HB   ALA  90          2HB       ALA  90   6.707  15.925   6.887
  544   3HB   ALA  90          3HB       ALA  90   6.487  14.259   7.424
  545    HA   PRO  91           HA       PRO  91   9.913  18.442  10.516
  546   1HB   PRO  91          2HB       PRO  91  12.157  16.883   9.339
  547   2HB   PRO  91          1HB       PRO  91  12.028  17.648  10.927
  548   1HG   PRO  91          2HG       PRO  91  11.827  15.009  10.680
  549   2HG   PRO  91          1HG       PRO  91  10.793  15.896  11.815
  550   1HD   PRO  91          2HD       PRO  91  10.128  14.772   9.125
  551   2HD   PRO  91          1HD       PRO  91   9.145  14.816  10.605
  552    HA   PRO  92           HA       PRO  92   9.772  20.643   6.654
  553   1HB   PRO  92          2HB       PRO  92  11.469  22.696   7.499
  554   2HB   PRO  92          1HB       PRO  92   9.716  22.657   7.706
  555   1HG   PRO  92          2HG       PRO  92  11.870  21.941   9.639
  556   2HG   PRO  92          1HG       PRO  92  10.325  22.763   9.932
  557   1HD   PRO  92          2HD       PRO  92  10.658  20.194  10.579
  558   2HD   PRO  92          1HD       PRO  92   9.121  20.771   9.900
  559    H    GLY  93           H        GLY  93  10.876  19.953   4.952
  560   1HA   GLY  93          2HA       GLY  93  13.085  20.203   3.781
  561   2HA   GLY  93          1HA       GLY  93  13.788  19.535   5.250
  562    H    CYS  94           H        CYS  94  11.475  17.724   5.598
  563    HA   CYS  94           HA       CYS  94  12.302  15.591   3.839
  564   1HB   CYS  94          2HB       CYS  94  10.062  15.690   5.879
  565   2HB   CYS  94          1HB       CYS  94  10.653  14.239   5.077
  566    HG   CYS  94           HG       CYS  94  12.880  16.073   6.857
  567    H    THR  95           H        THR  95  11.633  15.683   1.790
  568    HA   THR  95           HA       THR  95   9.324  17.124   0.978
  569    HB   THR  95           HB       THR  95   9.810  16.127  -1.274
  570    HG1  THR  95           1HG      THR  95  10.898  14.315  -1.153
  571   1HG2  THR  95          1HG2      THR  95  11.914  17.337  -1.596
  572   2HG2  THR  95          2HG2      THR  95  12.151  17.397   0.152
  573   3HG2  THR  95          3HG2      THR  95  10.796  18.256  -0.585
  574    HA   PRO  96           HA       PRO  96   6.237  14.045   1.425
  575   1HB   PRO  96          2HB       PRO  96   4.424  14.907  -0.384
  576   2HB   PRO  96          1HB       PRO  96   4.743  15.769   1.125
  577   1HG   PRO  96          2HG       PRO  96   5.773  16.327  -1.628
  578   2HG   PRO  96          1HG       PRO  96   5.148  17.462  -0.416
  579   1HD   PRO  96          2HD       PRO  96   7.799  17.076  -0.834
  580   2HD   PRO  96          1HD       PRO  96   7.131  17.497   0.755
  581    HA   PRO  97           HA       PRO  97   6.672  10.765  -1.612
  582   1HB   PRO  97          2HB       PRO  97   4.158   9.687  -1.044
  583   2HB   PRO  97          1HB       PRO  97   5.661   9.286  -0.216
  584   1HG   PRO  97          2HG       PRO  97   3.500  11.180   0.573
  585   2HG   PRO  97          1HG       PRO  97   4.455  10.077   1.584
  586   1HD   PRO  97          2HD       PRO  97   4.968  12.691   1.531
  587   2HD   PRO  97          1HD       PRO  97   6.285  11.501   1.618
  588    H    ALA  98           H        ALA  98   4.244   9.683  -2.711
  589    HA   ALA  98           HA       ALA  98   3.791  11.720  -4.762
  590   1HB   ALA  98          1HB       ALA  98   3.405   8.729  -4.945
  591   2HB   ALA  98          2HB       ALA  98   4.819   9.608  -5.530
  592   3HB   ALA  98          3HB       ALA  98   3.239   9.890  -6.262
  593    H    LEU  99           H        LEU  99   1.921  12.752  -4.531
  594    HA   LEU  99           HA       LEU  99  -0.310  11.652  -3.126
  595   1HB   LEU  99          2HB       LEU  99   0.517  14.169  -3.690
  596   2HB   LEU  99          1HB       LEU  99  -0.706  13.968  -4.924
  597    HG   LEU  99           HG       LEU  99  -2.441  13.722  -3.302
  598   1HD1  LEU  99          1HD1      LEU  99  -2.019  13.624  -0.901
  599   2HD1  LEU  99          2HD1      LEU  99  -0.282  13.585  -1.209
  600   3HD1  LEU  99          3HD1      LEU  99  -1.304  12.248  -1.739
  601   1HD2  LEU  99          1HD2      LEU  99  -1.694  15.998  -3.691
  602   2HD2  LEU  99          2HD2      LEU  99  -0.541  15.847  -2.362
  603   3HD2  LEU  99          3HD2      LEU  99  -2.275  15.782  -2.039
  604    H    LEU 100           H        LEU 100  -2.558  11.513  -4.376
  605    HA   LEU 100           HA       LEU 100  -2.935  10.558  -6.715
  606   1HB   LEU 100          2HB       LEU 100  -2.355   7.915  -6.242
  607   2HB   LEU 100          1HB       LEU 100  -1.519   8.990  -7.332
  608    HG   LEU 100           HG       LEU 100  -0.304   9.331  -4.815
  609   1HD1  LEU 100          1HD1      LEU 100  -1.349   7.270  -4.078
  610   2HD1  LEU 100          2HD1      LEU 100   0.388   7.043  -4.295
  611   3HD1  LEU 100          3HD1      LEU 100  -0.743   6.432  -5.508
  612   1HD2  LEU 100          1HD2      LEU 100   0.616   7.691  -7.170
  613   2HD2  LEU 100          2HD2      LEU 100   1.628   8.470  -5.958
  614   3HD2  LEU 100          3HD2      LEU 100   0.695   9.449  -7.094
  615    H    ASP 101           H        ASP 101  -4.022   7.953  -6.495
  616    HA   ASP 101           HA       ASP 101  -6.076   8.300  -4.442
  617   1HB   ASP 101          2HB       ASP 101  -7.044   9.370  -6.363
  618   2HB   ASP 101          1HB       ASP 101  -6.511   8.081  -7.433
  619    H    ILE 102           H        ILE 102  -7.222   6.360  -3.980
  620    HA   ILE 102           HA       ILE 102  -5.670   4.086  -3.684
  621    HB   ILE 102           HB       ILE 102  -7.679   4.678  -2.357
  622   1HG1  ILE 102          2HG1      ILE 102  -8.516   2.325  -2.124
  623   2HG1  ILE 102          1HG1      ILE 102  -7.556   1.896  -3.534
  624   1HG2  ILE 102          1HG2      ILE 102  -9.860   3.795  -3.257
  625   2HG2  ILE 102          2HG2      ILE 102  -9.085   3.732  -4.839
  626   3HG2  ILE 102          3HG2      ILE 102  -9.256   5.274  -4.001
  627   1HD1  ILE 102          1HD1      ILE 102  -6.482   3.004  -0.958
  628   2HD1  ILE 102          2HD1      ILE 102  -5.529   2.521  -2.362
  629   3HD1  ILE 102          3HD1      ILE 102  -6.440   1.312  -1.453
  630    H    SER 103           H        SER 103  -7.185   5.117  -6.513
  631    HA   SER 103           HA       SER 103  -8.009   2.676  -7.650
  632   1HB   SER 103          2HB       SER 103  -8.667   4.864  -8.564
  633   2HB   SER 103          1HB       SER 103  -7.002   5.157  -9.061
  634    HG   SER 103           HG       SER 103  -7.688   2.806 -10.051
  635    H    TRP 104           H        TRP 104  -4.837   4.086  -7.285
  636    HA   TRP 104           HA       TRP 104  -3.504   2.467  -9.184
  637   1HB   TRP 104          2HB       TRP 104  -2.219   4.269  -8.358
  638   2HB   TRP 104          1HB       TRP 104  -2.564   3.863  -6.680
  639    HD1  TRP 104           HD       TRP 104  -0.379   2.667  -9.640
  640    HE1  TRP 104           1HE      TRP 104   1.583   1.279  -8.685
  641    HE3  TRP 104           3HE      TRP 104  -1.776   2.543  -4.728
  642    HZ2  TRP 104           2HZ      TRP 104   2.412   0.277  -6.196
  643    HZ3  TRP 104           3HZ      TRP 104  -0.348   1.351  -3.122
  644    HH2  TRP 104           HH       TRP 104   1.706   0.242  -3.845
  645    H    LEU 105           H        LEU 105  -4.208   2.009  -5.738
  646    HA   LEU 105           HA       LEU 105  -2.718  -0.418  -5.579
  647   1HB   LEU 105          2HB       LEU 105  -3.092   1.134  -3.673
  648   2HB   LEU 105          1HB       LEU 105  -4.781   0.665  -3.660
  649    HG   LEU 105           HG       LEU 105  -4.181  -1.615  -3.058
  650   1HD1  LEU 105          1HD1      LEU 105  -2.061  -1.761  -4.265
  651   2HD1  LEU 105          2HD1      LEU 105  -1.871  -2.231  -2.577
  652   3HD1  LEU 105          3HD1      LEU 105  -1.328  -0.643  -3.116
  653   1HD2  LEU 105          1HD2      LEU 105  -3.227  -1.170  -0.834
  654   2HD2  LEU 105          2HD2      LEU 105  -4.511  -0.035  -1.257
  655   3HD2  LEU 105          3HD2      LEU 105  -2.821   0.467  -1.355
  656    H    THR 106           H        THR 106  -6.208   0.306  -5.534
  657    HA   THR 106           HA       THR 106  -7.246  -2.210  -5.558
  658    HB   THR 106           HB       THR 106  -9.122  -1.296  -6.959
  659    HG1  THR 106           1HG      THR 106  -8.974   1.013  -7.374
  660   1HG2  THR 106          1HG2      THR 106  -9.162  -1.087  -4.536
  661   2HG2  THR 106          2HG2      THR 106  -9.825   0.370  -5.278
  662   3HG2  THR 106          3HG2      THR 106  -8.187   0.381  -4.623
  663    H    GLU 107           H        GLU 107  -5.821  -0.518  -8.322
  664    HA   GLU 107           HA       GLU 107  -6.452  -2.696 -10.114
  665   1HB   GLU 107          2HB       GLU 107  -4.811  -0.192 -10.492
  666   2HB   GLU 107          1HB       GLU 107  -5.071  -1.387 -11.756
  667   1HG   GLU 107          2HG       GLU 107  -7.527  -1.011 -11.494
  668   2HG   GLU 107          1HG       GLU 107  -7.144   0.317 -10.401
  669    H    SER 108           H        SER 108  -3.716  -1.621  -8.206
  670    HA   SER 108           HA       SER 108  -1.776  -3.307  -9.385
  671   1HB   SER 108          2HB       SER 108  -1.931  -2.176  -6.578
  672   2HB   SER 108          1HB       SER 108  -0.522  -2.999  -7.246
  673    HG   SER 108           HG       SER 108  -1.717  -0.625  -8.256
  674    H    LEU 109           H        LEU 109  -3.799  -3.759  -6.445
  675    HA   LEU 109           HA       LEU 109  -3.218  -6.408  -5.953
  676   1HB   LEU 109          2HB       LEU 109  -5.896  -5.053  -5.718
  677   2HB   LEU 109          1HB       LEU 109  -5.436  -6.553  -4.934
  678    HG   LEU 109           HG       LEU 109  -4.503  -3.765  -4.334
  679   1HD1  LEU 109          1HD1      LEU 109  -5.614  -6.013  -2.684
  680   2HD1  LEU 109          2HD1      LEU 109  -6.475  -4.557  -3.185
  681   3HD1  LEU 109          3HD1      LEU 109  -5.121  -4.442  -2.060
  682   1HD2  LEU 109          1HD2      LEU 109  -2.814  -4.686  -2.853
  683   2HD2  LEU 109          2HD2      LEU 109  -2.501  -5.171  -4.521
  684   3HD2  LEU 109          3HD2      LEU 109  -3.214  -6.317  -3.387
  685    H    GLY 110           H        GLY 110  -5.881  -5.142  -7.916
  686   1HA   GLY 110          2HA       GLY 110  -6.887  -7.385  -9.072
  687   2HA   GLY 110          1HA       GLY 110  -6.719  -5.875  -9.951
  688    H    ALA 111           H        ALA 111  -3.844  -5.834  -9.990
  689    HA   ALA 111           HA       ALA 111  -3.472  -7.677 -12.201
  690   1HB   ALA 111          1HB       ALA 111  -1.416  -6.448 -12.632
  691   2HB   ALA 111          2HB       ALA 111  -1.613  -5.563 -11.120
  692   3HB   ALA 111          3HB       ALA 111  -2.773  -5.339 -12.428
  693    H    GLY 112           H        GLY 112  -2.300  -7.209  -8.940
  694   1HA   GLY 112          2HA       GLY 112  -1.519  -9.018  -7.605
  695   2HA   GLY 112          1HA       GLY 112  -1.018  -9.849  -9.070
  696    H    GLN 113           H        GLN 113  -0.206  -6.557  -9.061
  697    HA   GLN 113           HA       GLN 113   2.387  -6.863  -7.830
  698   1HB   GLN 113          2HB       GLN 113   3.650  -6.413  -9.900
  699   2HB   GLN 113          1HB       GLN 113   2.801  -7.950  -9.980
  700   1HG   GLN 113          2HG       GLN 113   1.125  -7.039 -11.406
  701   2HG   GLN 113          1HG       GLN 113   1.737  -5.403 -11.176
  702   1HE2  GLN 113          1HE2      GLN 113   4.527  -6.200 -11.413
  703   2HE2  GLN 113          2HE2      GLN 113   4.791  -6.522 -13.092
  704    HA   PRO 114           HA       PRO 114   1.991  -2.402  -7.599
  705   1HB   PRO 114          2HB       PRO 114   4.917  -2.231  -7.960
  706   2HB   PRO 114          1HB       PRO 114   3.920  -1.700  -6.603
  707   1HG   PRO 114          2HG       PRO 114   5.530  -3.838  -6.423
  708   2HG   PRO 114          1HG       PRO 114   3.966  -3.766  -5.589
  709   1HD   PRO 114          2HD       PRO 114   4.707  -5.199  -8.115
  710   2HD   PRO 114          1HD       PRO 114   3.657  -5.731  -6.786
  711    H    VAL 115           H        VAL 115   0.994  -2.138  -9.632
  712    HA   VAL 115           HA       VAL 115   2.454  -2.038 -12.074
  713    HB   VAL 115           HB       VAL 115   0.415  -1.048 -13.039
  714   1HG1  VAL 115          1HG1      VAL 115  -0.123  -3.380 -11.205
  715   2HG1  VAL 115          2HG1      VAL 115   0.583  -3.465 -12.820
  716   3HG1  VAL 115          3HG1      VAL 115  -1.085  -2.931 -12.614
  717   1HG2  VAL 115          1HG2      VAL 115  -1.576  -0.705 -11.656
  718   2HG2  VAL 115          2HG2      VAL 115  -0.257   0.356 -11.156
  719   3HG2  VAL 115          3HG2      VAL 115  -0.638  -1.083 -10.210
  720    HA   PRO 116           HA       PRO 116   4.093   2.063 -12.101
  721   1HB   PRO 116          2HB       PRO 116   3.078   2.402 -14.853
  722   2HB   PRO 116          1HB       PRO 116   4.740   2.419 -14.258
  723   1HG   PRO 116          2HG       PRO 116   3.791   0.371 -15.699
  724   2HG   PRO 116          1HG       PRO 116   4.951   0.124 -14.380
  725   1HD   PRO 116          2HD       PRO 116   1.987  -0.317 -14.412
  726   2HD   PRO 116          1HD       PRO 116   3.267  -1.304 -13.671
  727    H    VAL 117           H        VAL 117   3.266   3.885 -11.273
  728    HA   VAL 117           HA       VAL 117   0.429   4.277 -11.325
  729    HB   VAL 117           HB       VAL 117   1.552   4.755  -9.267
  730   1HG1  VAL 117          1HG1      VAL 117   3.163   6.585  -9.014
  731   2HG1  VAL 117          2HG1      VAL 117   3.132   6.849 -10.756
  732   3HG1  VAL 117          3HG1      VAL 117   3.757   5.333 -10.103
  733   1HG2  VAL 117          1HG2      VAL 117   0.771   7.056  -8.839
  734   2HG2  VAL 117          2HG2      VAL 117  -0.409   6.085  -9.714
  735   3HG2  VAL 117          3HG2      VAL 117   0.559   7.283 -10.572
  736    H    GLU 118           H        GLU 118  -0.159   4.708 -13.401
  737    HA   GLU 118           HA       GLU 118   0.857   6.714 -15.061
  738   1HB   GLU 118          2HB       GLU 118  -2.017   5.799 -14.817
  739   2HB   GLU 118          1HB       GLU 118  -1.314   6.642 -16.189
  740   1HG   GLU 118          2HG       GLU 118   0.197   4.716 -16.538
  741   2HG   GLU 118          1HG       GLU 118  -0.647   3.867 -15.243
  742    H    CYS 119           H        CYS 119   0.223   8.843 -15.413
  743    HA   CYS 119           HA       CYS 119  -0.186  10.426 -13.136
  744   1HB   CYS 119          2HB       CYS 119   0.952  11.211 -15.182
  745   2HB   CYS 119          1HB       CYS 119  -0.576  11.163 -16.048
  746    HG   CYS 119           HG       CYS 119  -1.691  13.323 -14.956
  747    H    ARG 120           H        ARG 120  -2.371   8.889 -15.292
  748    HA   ARG 120           HA       ARG 120  -4.733  10.300 -14.917
  749   1HB   ARG 120          2HB       ARG 120  -4.332   7.312 -15.167
  750   2HB   ARG 120          1HB       ARG 120  -5.864   8.148 -15.378
  751   1HG   ARG 120          2HG       ARG 120  -5.096   9.242 -17.338
  752   2HG   ARG 120          1HG       ARG 120  -3.435   8.716 -17.059
  753   1HD   ARG 120          2HD       ARG 120  -4.081   6.404 -17.418
  754   2HD   ARG 120          1HD       ARG 120  -5.768   6.882 -17.606
  755    HE   ARG 120           HE       ARG 120  -4.571   8.317 -19.531
  756   1HH1  ARG 120          1HH1      ARG 120  -4.270   4.924 -18.678
  757   2HH1  ARG 120          2HH1      ARG 120  -3.992   4.410 -20.313
  758   1HH2  ARG 120          1HH2      ARG 120  -4.208   7.639 -21.670
  759   2HH2  ARG 120          2HH2      ARG 120  -3.946   5.951 -22.019
  760    H    HIS 121           H        HIS 121  -2.939   8.427 -12.635
  761    HA   HIS 121           HA       HIS 121  -5.247   8.307 -10.798
  762   1HB   HIS 121          2HB       HIS 121  -2.616   6.814 -10.653
  763   2HB   HIS 121          1HB       HIS 121  -3.967   6.627  -9.544
  764    HD1  HIS 121           1HD      HIS 121  -2.720   5.570 -12.862
  765    HD2  HIS 121           2HD      HIS 121  -6.191   5.206 -10.614
  766    HE1  HIS 121           1HE      HIS 121  -4.050   3.746 -13.969
  767    HE2  HIS 121           2HE      HIS 121  -6.018   3.366 -12.433
  768    H    ARG 122           H        ARG 122  -2.843  10.300 -11.528
  769    HA   ARG 122           HA       ARG 122  -1.892  10.828  -8.807
  770   1HB   ARG 122          2HB       ARG 122  -0.290  10.419 -10.755
  771   2HB   ARG 122          1HB       ARG 122  -0.793  11.991 -11.361
  772   1HG   ARG 122          2HG       ARG 122  -0.066  12.959  -9.160
  773   2HG   ARG 122          1HG       ARG 122   0.641  11.381  -8.791
  774   1HD   ARG 122          2HD       ARG 122   2.326  12.872  -9.711
  775   2HD   ARG 122          1HD       ARG 122   2.004  11.534 -10.818
  776    HE   ARG 122           HE       ARG 122   0.331  13.477 -11.678
  777   1HH1  ARG 122          1HH1      ARG 122   3.773  13.438 -11.028
  778   2HH1  ARG 122          2HH1      ARG 122   4.145  14.587 -12.276
  779   1HH2  ARG 122          1HH2      ARG 122   0.820  14.999 -13.309
  780   2HH2  ARG 122          2HH2      ARG 122   2.468  15.508 -13.547
  781    H    LEU 123           H        LEU 123  -4.483  11.557  -9.446
  782    HA   LEU 123           HA       LEU 123  -5.014  13.873 -10.823
  783   1HB   LEU 123          2HB       LEU 123  -7.155  13.866  -9.871
  784   2HB   LEU 123          1HB       LEU 123  -6.654  12.191  -9.961
  785    HG   LEU 123           HG       LEU 123  -6.507  13.837  -7.432
  786   1HD1  LEU 123          1HD1      LEU 123  -8.633  11.888  -8.315
  787   2HD1  LEU 123          2HD1      LEU 123  -8.828  13.634  -8.150
  788   3HD1  LEU 123          3HD1      LEU 123  -8.519  12.642  -6.724
  789   1HD2  LEU 123          1HD2      LEU 123  -6.354  10.862  -7.900
  790   2HD2  LEU 123          2HD2      LEU 123  -6.300  11.672  -6.333
  791   3HD2  LEU 123          3HD2      LEU 123  -4.996  11.914  -7.498
  792    H    GLU 124           H        GLU 124  -3.241  13.902  -7.972
  793    HA   GLU 124           HA       GLU 124  -4.117  16.171  -6.628
  794   1HB   GLU 124          2HB       GLU 124  -1.836  16.346  -5.768
  795   2HB   GLU 124          1HB       GLU 124  -2.406  14.689  -5.739
  796   1HG   GLU 124          2HG       GLU 124  -0.323  14.322  -6.540
  797   2HG   GLU 124          1HG       GLU 124  -1.146  14.604  -8.072
  Start of MODEL   10
    1   1H    GLY  20          1HT       GLY  20   4.362 -13.013  19.427
    2   2H    GLY  20          2HT       GLY  20   5.046 -12.613  20.926
    3   3H    GLY  20          3HT       GLY  20   5.998 -13.337  19.725
    4   1HA   GLY  20          1HA       GLY  20   4.783 -10.637  19.572
    5   2HA   GLY  20          2HA       GLY  20   6.479 -10.986  19.876
    6    H    THR  21           H        THR  21   4.431  -9.999  17.561
    7    HA   THR  21           HA       THR  21   5.739 -11.484  15.396
    8    HB   THR  21           HB       THR  21   3.310  -9.692  15.220
    9    HG1  THR  21           1HG      THR  21   2.132 -11.356  15.802
   10   1HG2  THR  21          1HG2      THR  21   2.910 -10.870  13.101
   11   2HG2  THR  21          2HG2      THR  21   4.413 -11.768  13.321
   12   3HG2  THR  21          3HG2      THR  21   4.456 -10.020  13.092
   13    HA   PRO  22           HA       PRO  22   8.077  -7.740  14.451
   14   1HB   PRO  22          2HB       PRO  22   9.142  -8.718  12.129
   15   2HB   PRO  22          1HB       PRO  22   9.798  -9.090  13.727
   16   1HG   PRO  22          2HG       PRO  22   7.985 -10.722  11.995
   17   2HG   PRO  22          1HG       PRO  22   9.379 -11.244  12.959
   18   1HD   PRO  22          2HD       PRO  22   6.838 -11.592  13.793
   19   2HD   PRO  22          1HD       PRO  22   8.168 -11.269  14.923
   20    HA   PRO  23           HA       PRO  23   5.097  -5.423  12.211
   21   1HB   PRO  23          2HB       PRO  23   7.526  -4.476  10.735
   22   2HB   PRO  23          1HB       PRO  23   6.177  -3.540  11.390
   23   1HG   PRO  23          2HG       PRO  23   8.507  -3.705  12.688
   24   2HG   PRO  23          1HG       PRO  23   6.964  -3.672  13.556
   25   1HD   PRO  23          2HD       PRO  23   8.859  -5.902  13.175
   26   2HD   PRO  23          1HD       PRO  23   7.625  -5.670  14.428
   27    H    SER  24           H        SER  24   3.972  -6.900  11.017
   28    HA   SER  24           HA       SER  24   5.134  -8.091   8.654
   29   1HB   SER  24          2HB       SER  24   3.646  -9.373  10.192
   30   2HB   SER  24          1HB       SER  24   2.309  -8.321   9.725
   31    HG   SER  24           HG       SER  24   3.820  -9.848   7.869
   32    H    THR  25           H        THR  25   5.472  -6.306   7.334
   33    HA   THR  25           HA       THR  25   3.041  -5.114   6.160
   34    HB   THR  25           HB       THR  25   4.497  -3.463   5.134
   35    HG1  THR  25           1HG      THR  25   6.533  -5.156   6.171
   36   1HG2  THR  25          1HG2      THR  25   5.374  -2.374   7.155
   37   2HG2  THR  25          2HG2      THR  25   5.089  -3.864   8.058
   38   3HG2  THR  25          3HG2      THR  25   3.729  -2.977   7.364
   39    H    ARG  26           H        ARG  26   5.749  -7.168   5.654
   40    HA   ARG  26           HA       ARG  26   5.717  -9.085   4.462
   41   1HB   ARG  26          2HB       ARG  26   3.192  -8.459   4.021
   42   2HB   ARG  26          1HB       ARG  26   3.796  -8.099   2.410
   43   1HG   ARG  26          2HG       ARG  26   4.238 -10.737   3.781
   44   2HG   ARG  26          1HG       ARG  26   2.854 -10.403   2.741
   45   1HD   ARG  26          2HD       ARG  26   4.345  -9.952   0.876
   46   2HD   ARG  26          1HD       ARG  26   5.748 -10.204   1.913
   47    HE   ARG  26           HE       ARG  26   4.137 -12.504   2.009
   48   1HH1  ARG  26          1HH1      ARG  26   6.190 -10.754  -0.209
   49   2HH1  ARG  26          2HH1      ARG  26   6.651 -12.160  -1.112
   50   1HH2  ARG  26          1HH2      ARG  26   4.711 -14.371   0.819
   51   2HH2  ARG  26          2HH2      ARG  26   5.792 -14.228  -0.540
   52    H    PHE  27           H        PHE  27   5.603  -6.057   2.580
   53    HA   PHE  27           HA       PHE  27   8.036  -6.997   1.237
   54   1HB   PHE  27          2HB       PHE  27   6.167  -7.577  -0.262
   55   2HB   PHE  27          1HB       PHE  27   5.670  -5.888  -0.284
   56    HD1  PHE  27           1HD      PHE  27   8.423  -8.197  -1.228
   57    HD2  PHE  27           2HD      PHE  27   6.660  -4.356  -1.750
   58    HE1  PHE  27           1HE      PHE  27   9.906  -7.779  -3.144
   59    HE2  PHE  27           2HE      PHE  27   8.147  -3.930  -3.659
   60    HZ   PHE  27           HZ       PHE  27   9.821  -5.663  -4.326
   61    HA   PRO  28           HA       PRO  28   8.885  -2.639   2.069
   62   1HB   PRO  28          2HB       PRO  28  11.521  -2.904   2.400
   63   2HB   PRO  28          1HB       PRO  28  10.389  -3.413   3.660
   64   1HG   PRO  28          2HG       PRO  28  11.848  -5.073   1.641
   65   2HG   PRO  28          1HG       PRO  28  11.557  -5.398   3.360
   66   1HD   PRO  28          2HD       PRO  28  10.069  -6.461   1.286
   67   2HD   PRO  28          1HD       PRO  28   9.493  -6.289   2.954
   68    H    GLY  29           H        GLY  29   9.907  -1.035   0.779
   69   1HA   GLY  29          2HA       GLY  29  11.387  -0.561  -1.166
   70   2HA   GLY  29          1HA       GLY  29  10.675  -1.985  -1.923
   71    H    VAL  30           H        VAL  30   8.088  -1.583  -1.059
   72    HA   VAL  30           HA       VAL  30   7.278   1.018  -2.172
   73    HB   VAL  30           HB       VAL  30   5.845  -1.608  -2.679
   74   1HG1  VAL  30          1HG1      VAL  30   4.257   0.198  -2.215
   75   2HG1  VAL  30          2HG1      VAL  30   4.203  -0.276  -3.913
   76   3HG1  VAL  30          3HG1      VAL  30   5.038   1.202  -3.438
   77   1HG2  VAL  30          1HG2      VAL  30   7.703  -1.294  -4.195
   78   2HG2  VAL  30          2HG2      VAL  30   7.168   0.348  -4.553
   79   3HG2  VAL  30          3HG2      VAL  30   6.186  -1.026  -5.060
   80    H    ALA  31           H        ALA  31   6.571   2.098  -0.466
   81    HA   ALA  31           HA       ALA  31   5.228   0.589   1.669
   82   1HB   ALA  31          1HB       ALA  31   6.796   3.159   1.870
   83   2HB   ALA  31          2HB       ALA  31   7.326   1.560   2.399
   84   3HB   ALA  31          3HB       ALA  31   5.969   2.350   3.203
   85    H    ILE  32           H        ILE  32   3.138   0.851   1.669
   86    HA   ILE  32           HA       ILE  32   1.975   3.298   0.550
   87    HB   ILE  32           HB       ILE  32   0.685   0.693   1.323
   88   1HG1  ILE  32          2HG1      ILE  32   0.178   0.641  -1.191
   89   2HG1  ILE  32          1HG1      ILE  32   1.382   1.915  -1.349
   90   1HG2  ILE  32          1HG2      ILE  32  -1.306   1.594   0.219
   91   2HG2  ILE  32          2HG2      ILE  32  -0.498   3.163   0.155
   92   3HG2  ILE  32          3HG2      ILE  32  -0.852   2.405   1.714
   93   1HD1  ILE  32          1HD1      ILE  32   1.846  -0.859  -0.301
   94   2HD1  ILE  32          2HD1      ILE  32   3.065   0.411  -0.414
   95   3HD1  ILE  32          3HD1      ILE  32   2.321  -0.233  -1.880
   96    H    TYR  33           H        TYR  33   1.504   4.847   1.999
   97    HA   TYR  33           HA       TYR  33   0.177   3.939   4.436
   98   1HB   TYR  33          2HB       TYR  33   1.954   5.658   4.721
   99   2HB   TYR  33          1HB       TYR  33   1.016   6.757   3.713
  100    HD1  TYR  33           1HD      TYR  33  -0.268   8.327   4.825
  101    HD2  TYR  33           2HD      TYR  33   0.488   4.596   6.722
  102    HE1  TYR  33           1HE      TYR  33  -1.526   9.079   6.798
  103    HE2  TYR  33           2HE      TYR  33  -0.764   5.343   8.701
  104    HH   TYR  33           HH       TYR  33  -1.504   7.345   9.775
  105    H    LEU  34           H        LEU  34  -1.865   4.586   4.912
  106    HA   LEU  34           HA       LEU  34  -3.434   5.790   2.765
  107   1HB   LEU  34          2HB       LEU  34  -4.397   3.419   4.368
  108   2HB   LEU  34          1HB       LEU  34  -5.237   4.226   3.055
  109    HG   LEU  34           HG       LEU  34  -2.815   3.391   1.940
  110   1HD1  LEU  34          1HD1      LEU  34  -4.006   1.208   3.641
  111   2HD1  LEU  34          2HD1      LEU  34  -2.426   1.956   3.869
  112   3HD1  LEU  34          3HD1      LEU  34  -2.749   0.996   2.423
  113   1HD2  LEU  34          1HD2      LEU  34  -4.230   1.908   0.634
  114   2HD2  LEU  34          2HD2      LEU  34  -5.002   3.479   0.848
  115   3HD2  LEU  34          3HD2      LEU  34  -5.533   2.099   1.807
  116    H    VAL  35           H        VAL  35  -5.295   6.896   3.579
  117    HA   VAL  35           HA       VAL  35  -4.746   7.998   6.176
  118    HB   VAL  35           HB       VAL  35  -6.638   9.505   5.741
  119   1HG1  VAL  35          1HG1      VAL  35  -4.695   9.289   3.450
  120   2HG1  VAL  35          2HG1      VAL  35  -4.374  10.062   5.001
  121   3HG1  VAL  35          3HG1      VAL  35  -5.593  10.732   3.918
  122   1HG2  VAL  35          1HG2      VAL  35  -8.066   8.040   4.454
  123   2HG2  VAL  35          2HG2      VAL  35  -6.877   7.987   3.153
  124   3HG2  VAL  35          3HG2      VAL  35  -7.708   9.495   3.527
  125    H    GLU  36           H        GLU  36  -5.744   7.712   7.985
  126    HA   GLU  36           HA       GLU  36  -7.491   5.492   8.342
  127   1HB   GLU  36          2HB       GLU  36  -5.725   6.206   9.953
  128   2HB   GLU  36          1HB       GLU  36  -6.684   7.629  10.322
  129   1HG   GLU  36          2HG       GLU  36  -8.417   6.295  11.279
  130   2HG   GLU  36          1HG       GLU  36  -7.637   4.808  10.734
  131    HA   PRO  37           HA       PRO  37 -10.864   8.863   8.937
  132   1HB   PRO  37          2HB       PRO  37 -10.340  11.409   8.235
  133   2HB   PRO  37          1HB       PRO  37  -9.994  10.801   9.859
  134   1HG   PRO  37          2HG       PRO  37  -8.136  11.207   7.549
  135   2HG   PRO  37          1HG       PRO  37  -7.886  11.580   9.265
  136   1HD   PRO  37          2HD       PRO  37  -6.899   9.345   8.038
  137   2HD   PRO  37          1HD       PRO  37  -7.287   9.425   9.767
  138    H    ARG  38           H        ARG  38 -12.381   9.615   7.372
  139    HA   ARG  38           HA       ARG  38 -13.378   9.789   5.353
  140   1HB   ARG  38          2HB       ARG  38 -10.584  10.486   4.550
  141   2HB   ARG  38          1HB       ARG  38 -11.815  10.248   3.319
  142   1HG   ARG  38          2HG       ARG  38 -13.194  11.953   4.636
  143   2HG   ARG  38          1HG       ARG  38 -11.680  12.337   5.459
  144   1HD   ARG  38          2HD       ARG  38 -10.633  12.963   3.415
  145   2HD   ARG  38          1HD       ARG  38 -11.972  12.328   2.463
  146    HE   ARG  38           HE       ARG  38 -11.818  14.896   3.752
  147   1HH1  ARG  38          1HH1      ARG  38 -13.982  12.436   2.498
  148   2HH1  ARG  38          2HH1      ARG  38 -15.291  13.551   2.233
  149   1HH2  ARG  38          1HH2      ARG  38 -13.524  16.361   3.363
  150   2HH2  ARG  38          2HH2      ARG  38 -15.031  15.770   2.722
  151    H    MET  39           H        MET  39 -11.160   7.344   5.982
  152    HA   MET  39           HA       MET  39 -12.141   5.844   3.662
  153   1HB   MET  39          2HB       MET  39  -9.438   5.869   4.947
  154   2HB   MET  39          1HB       MET  39 -10.004   4.410   4.140
  155   1HG   MET  39          2HG       MET  39 -10.299   5.616   2.081
  156   2HG   MET  39          1HG       MET  39  -9.852   7.129   2.865
  157   1HE   MET  39          1HE       MET  39  -6.921   3.651   2.083
  158   2HE   MET  39          2HE       MET  39  -8.615   3.641   1.589
  159   3HE   MET  39          3HE       MET  39  -8.194   3.554   3.300
  160    H    GLY  40           H        GLY  40 -13.590   4.484   4.210
  161   1HA   GLY  40          2HA       GLY  40 -14.194   3.610   6.799
  162   2HA   GLY  40          1HA       GLY  40 -14.757   2.851   5.315
  163    H    ARG  41           H        ARG  41 -13.765   1.829   7.952
  164    HA   ARG  41           HA       ARG  41 -11.279   0.594   7.751
  165   1HB   ARG  41          2HB       ARG  41 -12.097  -0.955   9.469
  166   2HB   ARG  41          1HB       ARG  41 -12.554   0.704   9.837
  167   1HG   ARG  41          2HG       ARG  41 -14.789   0.339   9.276
  168   2HG   ARG  41          1HG       ARG  41 -14.419  -1.150   8.407
  169   1HD   ARG  41          2HD       ARG  41 -13.747  -2.176  10.552
  170   2HD   ARG  41          1HD       ARG  41 -14.271  -0.706  11.379
  171    HE   ARG  41           HE       ARG  41 -16.120  -2.332   9.751
  172   1HH1  ARG  41          1HH1      ARG  41 -15.331  -0.676  12.737
  173   2HH1  ARG  41          2HH1      ARG  41 -16.910  -0.922  13.436
  174   1HH2  ARG  41          1HH2      ARG  41 -18.167  -2.684  10.673
  175   2HH2  ARG  41          2HH2      ARG  41 -18.525  -2.065  12.258
  176    H    SER  42           H        SER  42 -14.386  -0.364   6.405
  177    HA   SER  42           HA       SER  42 -13.793  -3.076   5.943
  178   1HB   SER  42          2HB       SER  42 -16.073  -2.070   5.835
  179   2HB   SER  42          1HB       SER  42 -15.620  -1.284   4.322
  180    HG   SER  42           HG       SER  42 -15.489  -3.239   3.326
  181    H    ARG  43           H        ARG  43 -13.736  -0.335   3.676
  182    HA   ARG  43           HA       ARG  43 -12.450  -1.639   1.568
  183   1HB   ARG  43          2HB       ARG  43 -13.563   0.523   1.319
  184   2HB   ARG  43          1HB       ARG  43 -12.380   1.274   2.379
  185   1HG   ARG  43          2HG       ARG  43 -11.806   1.869   0.168
  186   2HG   ARG  43          1HG       ARG  43 -10.626   0.671   0.695
  187   1HD   ARG  43          2HD       ARG  43 -11.794  -1.066  -0.535
  188   2HD   ARG  43          1HD       ARG  43 -13.052   0.080  -1.000
  189    HE   ARG  43           HE       ARG  43 -10.242   0.387  -1.860
  190   1HH1  ARG  43          1HH1      ARG  43 -13.675   0.352  -2.532
  191   2HH1  ARG  43          2HH1      ARG  43 -13.485   0.852  -4.184
  192   1HH2  ARG  43          1HH2      ARG  43  -9.991   1.019  -4.058
  193   2HH2  ARG  43          2HH2      ARG  43 -11.397   1.217  -5.060
  194    H    ARG  44           H        ARG  44 -11.104   0.281   4.248
  195    HA   ARG  44           HA       ARG  44  -8.453   0.191   3.355
  196   1HB   ARG  44          2HB       ARG  44  -9.278   1.749   5.092
  197   2HB   ARG  44          1HB       ARG  44  -9.399   0.399   6.214
  198   1HG   ARG  44          2HG       ARG  44  -7.094   0.141   6.348
  199   2HG   ARG  44          1HG       ARG  44  -6.810   1.063   4.872
  200   1HD   ARG  44          2HD       ARG  44  -6.191   2.301   6.919
  201   2HD   ARG  44          1HD       ARG  44  -7.436   3.110   5.970
  202    HE   ARG  44           HE       ARG  44  -9.042   2.479   7.622
  203   1HH1  ARG  44          1HH1      ARG  44  -5.747   1.652   8.481
  204   2HH1  ARG  44          2HH1      ARG  44  -6.054   1.719  10.196
  205   1HH2  ARG  44          1HH2      ARG  44  -9.458   2.514   9.851
  206   2HH2  ARG  44          2HH2      ARG  44  -8.170   2.178  10.976
  207    H    ALA  45           H        ALA  45  -9.831  -1.759   6.079
  208    HA   ALA  45           HA       ALA  45  -7.756  -3.473   6.415
  209   1HB   ALA  45          1HB       ALA  45 -10.658  -4.261   6.516
  210   2HB   ALA  45          2HB       ALA  45  -9.762  -3.457   7.805
  211   3HB   ALA  45          3HB       ALA  45  -9.319  -5.091   7.311
  212    H    PHE  46           H        PHE  46 -10.427  -4.043   4.138
  213    HA   PHE  46           HA       PHE  46  -9.596  -6.468   3.154
  214   1HB   PHE  46          2HB       PHE  46 -11.517  -6.205   2.065
  215   2HB   PHE  46          1HB       PHE  46 -11.511  -4.490   2.429
  216    HD1  PHE  46           1HD      PHE  46 -10.857  -7.036  -0.066
  217    HD2  PHE  46           2HD      PHE  46 -10.727  -2.876   0.785
  218    HE1  PHE  46           1HE      PHE  46 -10.605  -6.567  -2.454
  219    HE2  PHE  46           2HE      PHE  46 -10.479  -2.390  -1.611
  220    HZ   PHE  46           HZ       PHE  46 -10.494  -4.179  -3.238
  221    H    LEU  47           H        LEU  47  -8.559  -3.285   1.922
  222    HA   LEU  47           HA       LEU  47  -6.791  -4.446  -0.020
  223   1HB   LEU  47          2HB       LEU  47  -6.075  -2.215  -0.476
  224   2HB   LEU  47          1HB       LEU  47  -7.814  -2.186  -0.248
  225    HG   LEU  47           HG       LEU  47  -7.063  -1.603   2.250
  226   1HD1  LEU  47          1HD1      LEU  47  -4.678  -1.685   1.758
  227   2HD1  LEU  47          2HD1      LEU  47  -5.186  -0.066   2.243
  228   3HD1  LEU  47          3HD1      LEU  47  -4.884  -0.424   0.543
  229   1HD2  LEU  47          1HD2      LEU  47  -8.600  -0.333   0.897
  230   2HD2  LEU  47          2HD2      LEU  47  -7.261   0.346  -0.031
  231   3HD2  LEU  47          3HD2      LEU  47  -7.445   0.740   1.681
  232    H    THR  48           H        THR  48  -6.611  -3.991   3.332
  233    HA   THR  48           HA       THR  48  -3.833  -3.229   3.465
  234    HB   THR  48           HB       THR  48  -5.698  -4.232   5.634
  235    HG1  THR  48           1HG      THR  48  -6.098  -2.110   4.641
  236   1HG2  THR  48          1HG2      THR  48  -2.945  -3.014   5.878
  237   2HG2  THR  48          2HG2      THR  48  -3.366  -4.693   6.218
  238   3HG2  THR  48          3HG2      THR  48  -4.024  -3.396   7.218
  239    H    GLY  49           H        GLY  49  -5.621  -6.190   4.506
  240   1HA   GLY  49          2HA       GLY  49  -3.279  -7.759   4.641
  241   2HA   GLY  49          1HA       GLY  49  -4.931  -8.358   4.606
  242    H    LEU  50           H        LEU  50  -5.291  -6.861   2.003
  243    HA   LEU  50           HA       LEU  50  -4.553  -9.121   0.360
  244   1HB   LEU  50          2HB       LEU  50  -6.093  -6.617  -0.142
  245   2HB   LEU  50          1HB       LEU  50  -5.487  -7.540  -1.505
  246    HG   LEU  50           HG       LEU  50  -7.409  -8.507   0.614
  247   1HD1  LEU  50          1HD1      LEU  50  -8.395  -7.043  -1.060
  248   2HD1  LEU  50          2HD1      LEU  50  -8.951  -8.704  -1.266
  249   3HD1  LEU  50          3HD1      LEU  50  -7.722  -8.045  -2.345
  250   1HD2  LEU  50          1HD2      LEU  50  -7.494 -10.583  -0.704
  251   2HD2  LEU  50          2HD2      LEU  50  -5.906 -10.306   0.010
  252   3HD2  LEU  50          3HD2      LEU  50  -6.169  -9.984  -1.704
  253    H    ALA  51           H        ALA  51  -3.756  -5.660   0.341
  254    HA   ALA  51           HA       ALA  51  -1.972  -5.764  -1.814
  255   1HB   ALA  51          1HB       ALA  51  -1.286  -3.589  -1.200
  256   2HB   ALA  51          2HB       ALA  51  -1.771  -3.833   0.479
  257   3HB   ALA  51          3HB       ALA  51  -2.999  -3.723  -0.785
  258    H    ARG  52           H        ARG  52  -1.405  -6.315   1.632
  259    HA   ARG  52           HA       ARG  52   1.410  -6.381   1.500
  260   1HB   ARG  52          2HB       ARG  52  -0.446  -7.831   3.393
  261   2HB   ARG  52          1HB       ARG  52   1.295  -7.708   3.596
  262   1HG   ARG  52          2HG       ARG  52   1.031  -5.227   3.657
  263   2HG   ARG  52          1HG       ARG  52  -0.716  -5.476   3.674
  264   1HD   ARG  52          2HD       ARG  52   1.282  -6.401   5.731
  265   2HD   ARG  52          1HD       ARG  52   0.038  -5.170   5.934
  266    HE   ARG  52           HE       ARG  52  -0.862  -7.865   5.269
  267   1HH1  ARG  52          1HH1      ARG  52  -0.374  -5.417   7.733
  268   2HH1  ARG  52          2HH1      ARG  52  -1.417  -6.197   8.889
  269   1HH2  ARG  52          1HH2      ARG  52  -2.200  -8.897   6.779
  270   2HH2  ARG  52          2HH2      ARG  52  -2.449  -8.192   8.351
  271    H    SER  53           H        SER  53  -1.027  -8.930   1.145
  272    HA   SER  53           HA       SER  53   0.885 -11.011   0.752
  273   1HB   SER  53          2HB       SER  53  -2.035 -10.962  -0.040
  274   2HB   SER  53          1HB       SER  53  -1.028 -12.392   0.184
  275    HG   SER  53           HG       SER  53  -1.188 -12.199   2.309
  276    H    LYS  54           H        LYS  54  -0.173  -8.482  -1.200
  277    HA   LYS  54           HA       LYS  54   0.059  -9.898  -3.710
  278   1HB   LYS  54          2HB       LYS  54  -0.481  -7.016  -3.031
  279   2HB   LYS  54          1HB       LYS  54  -0.253  -7.572  -4.686
  280   1HG   LYS  54          2HG       LYS  54  -2.382  -8.533  -2.784
  281   2HG   LYS  54          1HG       LYS  54  -2.612  -7.400  -4.118
  282   1HD   LYS  54          2HD       LYS  54  -1.965  -9.104  -5.712
  283   2HD   LYS  54          1HD       LYS  54  -1.641 -10.236  -4.399
  284   1HE   LYS  54          2HE       LYS  54  -4.007 -10.127  -3.745
  285   2HE   LYS  54          1HE       LYS  54  -4.316  -9.034  -5.094
  286   1HZ   LYS  54          1HZ       LYS  54  -3.300 -11.815  -5.344
  287   2HZ   LYS  54          2HZ       LYS  54  -3.662 -10.765  -6.628
  288   3HZ   LYS  54          3HZ       LYS  54  -4.901 -11.332  -5.621
  289    H    GLY  55           H        GLY  55   1.895  -7.244  -2.070
  290   1HA   GLY  55          2HA       GLY  55   4.371  -7.939  -2.513
  291   2HA   GLY  55          1HA       GLY  55   3.934  -7.431  -4.137
  292    H    PHE  56           H        PHE  56   2.644  -5.908  -1.276
  293    HA   PHE  56           HA       PHE  56   4.610  -3.717  -1.372
  294   1HB   PHE  56          2HB       PHE  56   1.681  -3.065  -1.185
  295   2HB   PHE  56          1HB       PHE  56   3.015  -2.037  -1.687
  296    HD1  PHE  56           1HD      PHE  56   3.943  -2.228  -3.953
  297    HD2  PHE  56           2HD      PHE  56   0.505  -4.421  -2.740
  298    HE1  PHE  56           1HE      PHE  56   3.383  -2.644  -6.310
  299    HE2  PHE  56           2HE      PHE  56  -0.064  -4.835  -5.090
  300    HZ   PHE  56           HZ       PHE  56   1.394  -3.998  -6.876
  301    H    ARG  57           H        ARG  57   4.816  -2.564   0.789
  302    HA   ARG  57           HA       ARG  57   3.443  -3.962   2.891
  303   1HB   ARG  57          2HB       ARG  57   4.975  -2.595   4.319
  304   2HB   ARG  57          1HB       ARG  57   5.795  -3.664   3.192
  305   1HG   ARG  57          2HG       ARG  57   6.621  -1.935   1.951
  306   2HG   ARG  57          1HG       ARG  57   5.303  -0.847   2.387
  307   1HD   ARG  57          2HD       ARG  57   7.626  -0.390   3.377
  308   2HD   ARG  57          1HD       ARG  57   6.235  -0.345   4.461
  309    HE   ARG  57           HE       ARG  57   7.121  -2.906   4.661
  310   1HH1  ARG  57          1HH1      ARG  57   8.709   0.212   4.993
  311   2HH1  ARG  57          2HH1      ARG  57   9.779  -0.340   6.245
  312   1HH2  ARG  57          1HH2      ARG  57   8.522  -3.609   6.312
  313   2HH2  ARG  57          2HH2      ARG  57   9.669  -2.499   7.001
  314    H    VAL  58           H        VAL  58   2.086  -3.009   4.330
  315    HA   VAL  58           HA       VAL  58   1.069  -0.394   3.826
  316    HB   VAL  58           HB       VAL  58   0.457  -2.290   6.094
  317   1HG1  VAL  58          1HG1      VAL  58  -1.545  -0.899   6.440
  318   2HG1  VAL  58          2HG1      VAL  58  -0.970   0.218   5.202
  319   3HG1  VAL  58          3HG1      VAL  58  -0.055   0.010   6.695
  320   1HG2  VAL  58          1HG2      VAL  58  -0.175  -3.216   3.929
  321   2HG2  VAL  58          2HG2      VAL  58  -1.073  -1.744   3.550
  322   3HG2  VAL  58          3HG2      VAL  58  -1.604  -2.786   4.870
  323    H    LEU  59           H        LEU  59   2.448   1.136   4.258
  324    HA   LEU  59           HA       LEU  59   4.264   1.087   6.486
  325   1HB   LEU  59          2HB       LEU  59   4.446   2.174   4.085
  326   2HB   LEU  59          1HB       LEU  59   3.703   3.544   4.881
  327    HG   LEU  59           HG       LEU  59   6.278   3.454   4.661
  328   1HD1  LEU  59          1HD1      LEU  59   6.548   4.571   6.851
  329   2HD1  LEU  59          2HD1      LEU  59   4.903   4.080   7.260
  330   3HD1  LEU  59          3HD1      LEU  59   5.190   5.170   5.904
  331   1HD2  LEU  59          1HD2      LEU  59   6.540   1.174   5.514
  332   2HD2  LEU  59          2HD2      LEU  59   5.912   1.692   7.079
  333   3HD2  LEU  59          3HD2      LEU  59   7.436   2.347   6.480
  334    H    ASP  60           H        ASP  60   4.252   2.509   8.277
  335    HA   ASP  60           HA       ASP  60   1.552   3.011   9.213
  336   1HB   ASP  60          2HB       ASP  60   3.521   1.812  10.469
  337   2HB   ASP  60          1HB       ASP  60   4.001   3.455  10.879
  338    H    ALA  61           H        ALA  61   1.634   4.984  10.951
  339    HA   ALA  61           HA       ALA  61   1.753   7.310   9.236
  340   1HB   ALA  61          1HB       ALA  61  -0.163   6.954  10.715
  341   2HB   ALA  61          2HB       ALA  61   0.664   8.464  11.094
  342   3HB   ALA  61          3HB       ALA  61   0.899   7.049  12.119
  343    H    CYS  62           H        CYS  62   2.692   9.343  10.007
  344    HA   CYS  62           HA       CYS  62   4.321  10.684  10.836
  345   1HB   CYS  62          2HB       CYS  62   3.927   9.627  13.038
  346   2HB   CYS  62          1HB       CYS  62   5.088   8.370  12.630
  347    HG   CYS  62           HG       CYS  62   6.912  10.830  12.150
  348    H    SER  63           H        SER  63   5.415   7.349  10.295
  349    HA   SER  63           HA       SER  63   8.022   8.058   9.457
  350   1HB   SER  63          2HB       SER  63   7.762   5.676   8.330
  351   2HB   SER  63          1HB       SER  63   7.892   5.845  10.081
  352    HG   SER  63           HG       SER  63   5.422   5.735   8.676
  353    H    SER  64           H        SER  64   8.561   9.138   7.705
  354    HA   SER  64           HA       SER  64   6.636   9.634   5.632
  355   1HB   SER  64          2HB       SER  64   8.650  11.040   4.753
  356   2HB   SER  64          1HB       SER  64   7.825  11.542   6.231
  357    HG   SER  64           HG       SER  64  10.272  10.103   6.003
  358    H    GLU  65           H        GLU  65   8.506   7.025   6.025
  359    HA   GLU  65           HA       GLU  65   9.830   6.735   3.548
  360   1HB   GLU  65          2HB       GLU  65  10.308   5.283   5.479
  361   2HB   GLU  65          1HB       GLU  65   8.700   4.578   5.347
  362   1HG   GLU  65          2HG       GLU  65   9.361   3.905   2.986
  363   2HG   GLU  65          1HG       GLU  65  11.010   4.321   3.446
  364    H    ALA  66           H        ALA  66   6.519   6.467   4.469
  365    HA   ALA  66           HA       ALA  66   5.603   4.678   2.494
  366   1HB   ALA  66          1HB       ALA  66   4.144   6.903   3.911
  367   2HB   ALA  66          2HB       ALA  66   4.224   5.211   4.396
  368   3HB   ALA  66          3HB       ALA  66   3.379   5.663   2.919
  369    H    THR  67           H        THR  67   5.907   5.009   0.371
  370    HA   THR  67           HA       THR  67   5.991   7.781  -0.604
  371    HB   THR  67           HB       THR  67   7.983   6.330  -0.945
  372    HG1  THR  67           1HG      THR  67   8.097   7.669  -2.590
  373   1HG2  THR  67          1HG2      THR  67   6.853   4.183  -1.119
  374   2HG2  THR  67          2HG2      THR  67   7.835   4.466  -2.558
  375   3HG2  THR  67          3HG2      THR  67   6.084   4.684  -2.627
  376    H    HIS  68           H        HIS  68   3.562   5.991  -0.136
  377    HA   HIS  68           HA       HIS  68   2.224   6.993  -2.516
  378   1HB   HIS  68          2HB       HIS  68   2.366   4.082  -1.788
  379   2HB   HIS  68          1HB       HIS  68   0.938   4.724  -2.587
  380    HD1  HIS  68           1HD      HIS  68   4.359   3.552  -3.232
  381    HD2  HIS  68           2HD      HIS  68   1.451   5.740  -5.237
  382    HE1  HIS  68           1HE      HIS  68   5.064   3.551  -5.644
  383    HE2  HIS  68           2HE      HIS  68   3.190   4.714  -6.863
  384    H    VAL  69           H        VAL  69   1.035   8.395  -1.376
  385    HA   VAL  69           HA       VAL  69  -0.650   7.395   0.745
  386    HB   VAL  69           HB       VAL  69  -0.597  10.099  -0.608
  387   1HG1  VAL  69          1HG1      VAL  69  -2.187   9.150   1.774
  388   2HG1  VAL  69          2HG1      VAL  69  -2.839   9.572   0.189
  389   3HG1  VAL  69          3HG1      VAL  69  -2.094  10.815   1.197
  390   1HG2  VAL  69          1HG2      VAL  69   1.378   9.639   0.768
  391   2HG2  VAL  69          2HG2      VAL  69   0.332   9.220   2.129
  392   3HG2  VAL  69          3HG2      VAL  69   0.356  10.872   1.510
  393    H    VAL  70           H        VAL  70  -2.539   6.590   0.487
  394    HA   VAL  70           HA       VAL  70  -3.887   6.768  -2.141
  395    HB   VAL  70           HB       VAL  70  -4.030   4.263  -0.484
  396   1HG1  VAL  70          1HG1      VAL  70  -5.610   4.548  -2.296
  397   2HG1  VAL  70          2HG1      VAL  70  -4.491   3.230  -2.646
  398   3HG1  VAL  70          3HG1      VAL  70  -4.284   4.795  -3.433
  399   1HG2  VAL  70          1HG2      VAL  70  -1.645   4.604  -0.792
  400   2HG2  VAL  70          2HG2      VAL  70  -1.885   4.854  -2.521
  401   3HG2  VAL  70          3HG2      VAL  70  -2.206   3.273  -1.806
  402    H    MET  71           H        MET  71  -6.126   7.011  -1.989
  403    HA   MET  71           HA       MET  71  -7.296   7.157   0.663
  404   1HB   MET  71          2HB       MET  71  -6.921   9.621  -1.053
  405   2HB   MET  71          1HB       MET  71  -7.951   9.550   0.371
  406   1HG   MET  71          2HG       MET  71  -6.017   9.046   1.758
  407   2HG   MET  71          1HG       MET  71  -4.978   9.083   0.341
  408   1HE   MET  71          1HE       MET  71  -7.101  12.789   2.116
  409   2HE   MET  71          2HE       MET  71  -7.106  11.205   2.884
  410   3HE   MET  71          3HE       MET  71  -7.975  11.449   1.372
  411    H    GLU  72           H        GLU  72  -9.487   7.154   0.696
  412    HA   GLU  72           HA       GLU  72 -10.878   6.980  -1.896
  413   1HB   GLU  72          2HB       GLU  72 -10.802   4.798  -0.778
  414   2HB   GLU  72          1HB       GLU  72 -11.471   5.502   0.686
  415   1HG   GLU  72          2HG       GLU  72 -13.134   4.234  -0.566
  416   2HG   GLU  72          1HG       GLU  72 -13.568   5.937  -0.444
  417    H    GLU  73           H        GLU  73 -13.051   7.819  -1.932
  418    HA   GLU  73           HA       GLU  73 -14.538   9.515  -1.609
  419   1HB   GLU  73          2HB       GLU  73 -14.003   8.847   1.293
  420   2HB   GLU  73          1HB       GLU  73 -15.328   9.854   0.728
  421   1HG   GLU  73          2HG       GLU  73 -16.229   7.961  -0.528
  422   2HG   GLU  73          1HG       GLU  73 -14.900   6.953   0.047
  423    H    THR  74           H        THR  74 -11.863  10.304  -2.017
  424    HA   THR  74           HA       THR  74 -11.714  12.742  -0.394
  425    HB   THR  74           HB       THR  74  -9.420  11.030  -1.363
  426    HG1  THR  74           1HG      THR  74 -10.728  10.394   0.579
  427   1HG2  THR  74          1HG2      THR  74  -8.860  13.404  -1.434
  428   2HG2  THR  74          2HG2      THR  74  -7.997  12.597  -0.124
  429   3HG2  THR  74          3HG2      THR  74  -9.410  13.593   0.230
  430    H    SER  75           H        SER  75 -11.914  14.501  -1.583
  431    HA   SER  75           HA       SER  75 -11.568  14.547  -4.419
  432   1HB   SER  75          2HB       SER  75 -11.642  16.916  -2.535
  433   2HB   SER  75          1HB       SER  75 -12.067  16.894  -4.248
  434    HG   SER  75           HG       SER  75 -13.582  15.079  -3.155
  435    H    ALA  76           H        ALA  76  -9.912  15.743  -5.579
  436    HA   ALA  76           HA       ALA  76  -7.335  15.047  -4.989
  437   1HB   ALA  76          1HB       ALA  76  -6.604  16.597  -6.643
  438   2HB   ALA  76          2HB       ALA  76  -8.060  17.577  -6.445
  439   3HB   ALA  76          3HB       ALA  76  -8.173  15.963  -7.148
  440    H    GLU  77           H        GLU  77  -8.890  18.116  -4.176
  441    HA   GLU  77           HA       GLU  77  -6.595  19.371  -3.098
  442   1HB   GLU  77          2HB       GLU  77  -8.183  20.982  -2.093
  443   2HB   GLU  77          1HB       GLU  77  -8.492  20.692  -3.800
  444   1HG   GLU  77          2HG       GLU  77 -10.307  19.178  -3.216
  445   2HG   GLU  77          1HG       GLU  77  -9.996  19.464  -1.504
  446    H    GLU  78           H        GLU  78  -9.302  17.726  -1.487
  447    HA   GLU  78           HA       GLU  78  -8.589  17.856   1.129
  448   1HB   GLU  78          2HB       GLU  78  -9.714  15.509  -0.393
  449   2HB   GLU  78          1HB       GLU  78  -9.578  15.540   1.360
  450   1HG   GLU  78          2HG       GLU  78 -11.108  17.573  -0.243
  451   2HG   GLU  78          1HG       GLU  78 -11.825  16.134   0.483
  452    H    ALA  79           H        ALA  79  -7.330  15.476  -1.206
  453    HA   ALA  79           HA       ALA  79  -5.575  14.302   0.734
  454   1HB   ALA  79          1HB       ALA  79  -6.521  13.061  -1.201
  455   2HB   ALA  79          2HB       ALA  79  -4.772  12.918  -1.034
  456   3HB   ALA  79          3HB       ALA  79  -5.455  13.992  -2.258
  457    H    VAL  80           H        VAL  80  -5.321  16.850  -1.643
  458    HA   VAL  80           HA       VAL  80  -2.525  17.156  -1.667
  459    HB   VAL  80           HB       VAL  80  -4.778  19.113  -2.101
  460   1HG1  VAL  80          1HG1      VAL  80  -1.823  19.666  -2.329
  461   2HG1  VAL  80          2HG1      VAL  80  -2.944  20.400  -1.182
  462   3HG1  VAL  80          3HG1      VAL  80  -3.110  20.727  -2.907
  463   1HG2  VAL  80          1HG2      VAL  80  -2.741  17.864  -3.941
  464   2HG2  VAL  80          2HG2      VAL  80  -3.956  19.048  -4.422
  465   3HG2  VAL  80          3HG2      VAL  80  -4.455  17.459  -3.839
  466    H    SER  81           H        SER  81  -5.002  18.775   0.313
  467    HA   SER  81           HA       SER  81  -3.162  20.155   1.960
  468   1HB   SER  81          2HB       SER  81  -6.017  19.337   2.553
  469   2HB   SER  81          1HB       SER  81  -5.091  20.570   3.412
  470    HG   SER  81           HG       SER  81  -4.920  21.204   0.884
  471    H    TRP  82           H        TRP  82  -4.893  17.108   2.329
  472    HA   TRP  82           HA       TRP  82  -3.889  16.213   4.726
  473   1HB   TRP  82          2HB       TRP  82  -5.294  14.643   3.798
  474   2HB   TRP  82          1HB       TRP  82  -4.560  14.771   2.200
  475    HD1  TRP  82           HD       TRP  82  -3.020  12.845   1.547
  476    HE1  TRP  82           1HE      TRP  82  -1.742  10.999   2.789
  477    HE3  TRP  82           3HE      TRP  82  -4.101  14.196   6.366
  478    HZ2  TRP  82           2HZ      TRP  82  -1.250  10.211   5.444
  479    HZ3  TRP  82           3HZ      TRP  82  -3.176  12.835   8.199
  480    HH2  TRP  82           HH       TRP  82  -1.780  10.881   7.737
  481    H    GLN  83           H        GLN  83  -2.281  15.842   1.567
  482    HA   GLN  83           HA       GLN  83   0.071  14.689   2.532
  483   1HB   GLN  83          2HB       GLN  83  -0.598  14.709   0.165
  484   2HB   GLN  83          1HB       GLN  83  -0.315  16.441   0.097
  485   1HG   GLN  83          2HG       GLN  83   1.966  14.854   1.027
  486   2HG   GLN  83          1HG       GLN  83   1.470  14.553  -0.639
  487   1HE2  GLN  83          1HE2      GLN  83   0.481  17.256  -1.025
  488   2HE2  GLN  83          2HE2      GLN  83   1.881  18.261  -1.182
  489    H    GLU  84           H        GLU  84  -0.801  18.093   2.082
  490    HA   GLU  84           HA       GLU  84   1.618  19.291   2.770
  491   1HB   GLU  84          2HB       GLU  84  -1.183  20.219   3.429
  492   2HB   GLU  84          1HB       GLU  84   0.258  21.212   3.561
  493   1HG   GLU  84          2HG       GLU  84   0.612  20.965   1.139
  494   2HG   GLU  84          1HG       GLU  84  -0.894  20.052   1.038
  495    H    ARG  85           H        ARG  85  -1.112  18.485   4.909
  496    HA   ARG  85           HA       ARG  85   0.217  19.324   7.264
  497   1HB   ARG  85          2HB       ARG  85  -2.206  17.563   6.903
  498   2HB   ARG  85          1HB       ARG  85  -1.670  18.213   8.447
  499   1HG   ARG  85          2HG       ARG  85  -1.992  20.486   7.587
  500   2HG   ARG  85          1HG       ARG  85  -2.553  19.817   6.056
  501   1HD   ARG  85          2HD       ARG  85  -3.847  19.287   8.725
  502   2HD   ARG  85          1HD       ARG  85  -4.381  20.520   7.588
  503    HE   ARG  85           HE       ARG  85  -4.599  18.489   6.007
  504   1HH1  ARG  85          1HH1      ARG  85  -5.282  18.505   9.442
  505   2HH1  ARG  85          2HH1      ARG  85  -6.457  17.226   9.342
  506   1HH2  ARG  85          1HH2      ARG  85  -6.191  16.850   5.865
  507   2HH2  ARG  85          2HH2      ARG  85  -6.978  16.290   7.316
  508    H    ARG  86           H        ARG  86   0.191  16.333   5.542
  509    HA   ARG  86           HA       ARG  86   1.197  14.767   7.725
  510   1HB   ARG  86          2HB       ARG  86   0.061  13.710   5.797
  511   2HB   ARG  86          1HB       ARG  86   1.381  14.229   4.755
  512   1HG   ARG  86          2HG       ARG  86   2.919  12.906   6.268
  513   2HG   ARG  86          1HG       ARG  86   1.461  12.212   6.981
  514   1HD   ARG  86          2HD       ARG  86   0.781  11.404   4.773
  515   2HD   ARG  86          1HD       ARG  86   2.250  12.088   4.074
  516    HE   ARG  86           HE       ARG  86   2.142   9.830   5.968
  517   1HH1  ARG  86          1HH1      ARG  86   3.879  11.740   3.605
  518   2HH1  ARG  86          2HH1      ARG  86   5.129  10.563   3.379
  519   1HH2  ARG  86          1HH2      ARG  86   3.812   8.282   5.694
  520   2HH2  ARG  86          2HH2      ARG  86   5.088   8.596   4.569
  521    H    MET  87           H        MET  87   2.630  16.185   4.811
  522    HA   MET  87           HA       MET  87   5.266  15.384   5.453
  523   1HB   MET  87          2HB       MET  87   4.368  17.573   3.573
  524   2HB   MET  87          1HB       MET  87   5.980  16.872   3.637
  525   1HG   MET  87          2HG       MET  87   3.425  15.517   2.827
  526   2HG   MET  87          1HG       MET  87   4.814  15.896   1.810
  527   1HE   MET  87          1HE       MET  87   7.525  13.418   3.197
  528   2HE   MET  87          2HE       MET  87   7.252  15.083   3.709
  529   3HE   MET  87          3HE       MET  87   7.168  14.661   1.998
  530    H    ALA  88           H        ALA  88   3.412  18.231   6.319
  531    HA   ALA  88           HA       ALA  88   5.463  19.900   7.164
  532   1HB   ALA  88          1HB       ALA  88   3.102  20.566   7.004
  533   2HB   ALA  88          2HB       ALA  88   3.803  20.980   8.569
  534   3HB   ALA  88          3HB       ALA  88   2.739  19.581   8.420
  535    H    ALA  89           H        ALA  89   4.214  16.998   8.638
  536    HA   ALA  89           HA       ALA  89   5.297  17.457  11.245
  537   1HB   ALA  89          1HB       ALA  89   4.529  14.862   9.908
  538   2HB   ALA  89          2HB       ALA  89   3.459  15.885  10.869
  539   3HB   ALA  89          3HB       ALA  89   4.837  15.088  11.630
  540    H    ALA  90           H        ALA  90   6.517  16.334   8.236
  541    HA   ALA  90           HA       ALA  90   9.050  15.470   9.440
  542   1HB   ALA  90          1HB       ALA  90   8.064  13.925   7.833
  543   2HB   ALA  90          2HB       ALA  90   9.558  14.604   7.184
  544   3HB   ALA  90          3HB       ALA  90   7.996  15.200   6.618
  545    HA   PRO  91           HA       PRO  91  11.240  19.116   7.896
  546   1HB   PRO  91          2HB       PRO  91  12.963  17.344   6.249
  547   2HB   PRO  91          1HB       PRO  91  13.423  18.545   7.461
  548   1HG   PRO  91          2HG       PRO  91  13.593  15.933   7.982
  549   2HG   PRO  91          1HG       PRO  91  13.084  17.087   9.229
  550   1HD   PRO  91          2HD       PRO  91  11.435  15.197   7.602
  551   2HD   PRO  91          1HD       PRO  91  11.266  15.661   9.308
  552    HA   PRO  92           HA       PRO  92   8.817  19.664   4.183
  553   1HB   PRO  92          2HB       PRO  92  10.358  22.195   4.020
  554   2HB   PRO  92          1HB       PRO  92   8.609  21.939   4.035
  555   1HG   PRO  92          2HG       PRO  92   9.853  22.896   6.182
  556   2HG   PRO  92          1HG       PRO  92   8.528  21.726   6.344
  557   1HD   PRO  92          2HD       PRO  92  11.481  21.287   6.560
  558   2HD   PRO  92          1HD       PRO  92  10.167  20.606   7.541
  559    H    GLY  93           H        GLY  93  12.253  19.626   4.320
  560   1HA   GLY  93          2HA       GLY  93  12.604  19.879   1.455
  561   2HA   GLY  93          1HA       GLY  93  13.866  19.579   2.638
  562    H    CYS  94           H        CYS  94  11.627  17.386   3.449
  563    HA   CYS  94           HA       CYS  94  13.087  15.238   2.240
  564   1HB   CYS  94          2HB       CYS  94  10.573  15.282   3.915
  565   2HB   CYS  94          1HB       CYS  94  11.355  13.804   3.370
  566    HG   CYS  94           HG       CYS  94  13.844  14.707   4.667
  567    H    THR  95           H        THR  95  12.253  13.612   0.869
  568    HA   THR  95           HA       THR  95  10.780  14.667  -1.334
  569    HB   THR  95           HB       THR  95  11.579  11.790  -0.851
  570    HG1  THR  95           1HG      THR  95  13.037  14.046  -1.764
  571   1HG2  THR  95          1HG2      THR  95  11.599  11.671  -3.307
  572   2HG2  THR  95          2HG2      THR  95  11.043  13.343  -3.388
  573   3HG2  THR  95          3HG2      THR  95  10.003  12.100  -2.689
  574    HA   PRO  96           HA       PRO  96   6.821  13.496   0.387
  575   1HB   PRO  96          2HB       PRO  96   5.318  14.505  -1.626
  576   2HB   PRO  96          1HB       PRO  96   6.065  15.529  -0.395
  577   1HG   PRO  96          2HG       PRO  96   6.976  14.954  -3.185
  578   2HG   PRO  96          1HG       PRO  96   6.957  16.495  -2.307
  579   1HD   PRO  96          2HD       PRO  96   9.196  14.980  -2.601
  580   2HD   PRO  96          1HD       PRO  96   8.915  16.030  -1.199
  581    HA   PRO  97           HA       PRO  97   5.982   9.626  -1.706
  582   1HB   PRO  97          2HB       PRO  97   3.407   9.348  -0.832
  583   2HB   PRO  97          1HB       PRO  97   4.816   8.990   0.176
  584   1HG   PRO  97          2HG       PRO  97   3.176  11.498   0.049
  585   2HG   PRO  97          1HG       PRO  97   3.694  10.579   1.480
  586   1HD   PRO  97          2HD       PRO  97   5.030  12.750   0.759
  587   2HD   PRO  97          1HD       PRO  97   5.916  11.295   1.279
  588    H    ALA  98           H        ALA  98   3.831   8.762  -2.890
  589    HA   ALA  98           HA       ALA  98   3.299  10.725  -4.974
  590   1HB   ALA  98          1HB       ALA  98   4.069   8.414  -5.550
  591   2HB   ALA  98          2HB       ALA  98   2.542   8.876  -6.299
  592   3HB   ALA  98          3HB       ALA  98   2.544   7.801  -4.900
  593    H    LEU  99           H        LEU  99   1.441  11.794  -5.035
  594    HA   LEU  99           HA       LEU  99  -0.676  11.003  -3.177
  595   1HB   LEU  99          2HB       LEU  99   0.391  13.382  -3.477
  596   2HB   LEU  99          1HB       LEU  99  -0.715  13.503  -4.828
  597    HG   LEU  99           HG       LEU  99  -2.624  13.260  -3.347
  598   1HD1  LEU  99          1HD1      LEU  99  -2.355  13.095  -0.930
  599   2HD1  LEU  99          2HD1      LEU  99  -0.605  13.000  -1.122
  600   3HD1  LEU  99          3HD1      LEU  99  -1.630  11.705  -1.737
  601   1HD2  LEU  99          1HD2      LEU  99  -2.356  15.308  -2.039
  602   2HD2  LEU  99          2HD2      LEU  99  -1.715  15.486  -3.672
  603   3HD2  LEU  99          3HD2      LEU  99  -0.616  15.250  -2.315
  604    H    LEU 100           H        LEU 100  -2.420   9.999  -3.859
  605    HA   LEU 100           HA       LEU 100  -3.647  10.427  -6.349
  606   1HB   LEU 100          2HB       LEU 100  -3.442   7.971  -7.148
  607   2HB   LEU 100          1HB       LEU 100  -2.215   9.130  -7.573
  608    HG   LEU 100           HG       LEU 100  -1.531   6.740  -6.925
  609   1HD1  LEU 100          1HD1      LEU 100   0.560   7.520  -5.960
  610   2HD1  LEU 100          2HD1      LEU 100  -0.166   9.102  -5.668
  611   3HD1  LEU 100          3HD1      LEU 100   0.046   8.520  -7.319
  612   1HD2  LEU 100          1HD2      LEU 100  -2.685   6.402  -4.885
  613   2HD2  LEU 100          2HD2      LEU 100  -2.032   7.889  -4.197
  614   3HD2  LEU 100          3HD2      LEU 100  -0.963   6.520  -4.506
  615    H    ASP 101           H        ASP 101  -5.154   8.168  -6.710
  616    HA   ASP 101           HA       ASP 101  -6.684   8.237  -4.208
  617   1HB   ASP 101          2HB       ASP 101  -8.665   7.899  -5.558
  618   2HB   ASP 101          1HB       ASP 101  -7.761   9.255  -6.217
  619    H    ILE 102           H        ILE 102  -7.927   6.288  -3.721
  620    HA   ILE 102           HA       ILE 102  -6.395   3.937  -3.775
  621    HB   ILE 102           HB       ILE 102  -7.967   4.444  -1.992
  622   1HG1  ILE 102          2HG1      ILE 102  -9.079   2.198  -1.817
  623   2HG1  ILE 102          1HG1      ILE 102  -8.552   1.869  -3.466
  624   1HG2  ILE 102          1HG2      ILE 102 -10.373   4.158  -2.299
  625   2HG2  ILE 102          2HG2      ILE 102 -10.119   3.918  -4.027
  626   3HG2  ILE 102          3HG2      ILE 102  -9.729   5.469  -3.285
  627   1HD1  ILE 102          1HD1      ILE 102  -6.758   2.422  -1.120
  628   2HD1  ILE 102          2HD1      ILE 102  -6.234   2.080  -2.769
  629   3HD1  ILE 102          3HD1      ILE 102  -7.079   0.844  -1.837
  630    H    SER 103           H        SER 103  -6.358   4.434  -6.327
  631    HA   SER 103           HA       SER 103  -7.871   2.153  -7.424
  632   1HB   SER 103          2HB       SER 103  -8.816   4.282  -8.296
  633   2HB   SER 103          1HB       SER 103  -7.228   4.691  -8.946
  634    HG   SER 103           HG       SER 103  -7.425   2.574 -10.094
  635    H    TRP 104           H        TRP 104  -4.964   4.122  -7.392
  636    HA   TRP 104           HA       TRP 104  -3.389   2.683  -9.194
  637   1HB   TRP 104          2HB       TRP 104  -2.336   4.618  -8.388
  638   2HB   TRP 104          1HB       TRP 104  -2.753   4.265  -6.713
  639    HD1  TRP 104           HD       TRP 104  -0.186   3.287  -9.420
  640    HE1  TRP 104           1HE      TRP 104   1.826   2.153  -8.267
  641    HE3  TRP 104           3HE      TRP 104  -1.993   3.051  -4.637
  642    HZ2  TRP 104           2HZ      TRP 104   2.547   1.283  -5.694
  643    HZ3  TRP 104           3HZ      TRP 104  -0.577   2.054  -2.890
  644    HH2  TRP 104           HH       TRP 104   1.649   1.189  -3.408
  645    H    LEU 105           H        LEU 105  -4.344   2.007  -5.910
  646    HA   LEU 105           HA       LEU 105  -2.304   0.052  -5.474
  647   1HB   LEU 105          2HB       LEU 105  -3.235   1.400  -3.638
  648   2HB   LEU 105          1HB       LEU 105  -4.787   0.617  -3.857
  649    HG   LEU 105           HG       LEU 105  -3.842  -1.526  -3.186
  650   1HD1  LEU 105          1HD1      LEU 105  -1.565  -1.168  -4.057
  651   2HD1  LEU 105          2HD1      LEU 105  -1.572  -1.737  -2.389
  652   3HD1  LEU 105          3HD1      LEU 105  -1.254  -0.034  -2.739
  653   1HD2  LEU 105          1HD2      LEU 105  -4.750  -0.066  -1.471
  654   2HD2  LEU 105          2HD2      LEU 105  -3.174   0.704  -1.274
  655   3HD2  LEU 105          3HD2      LEU 105  -3.386  -0.994  -0.848
  656    H    THR 106           H        THR 106  -5.805  -0.094  -6.118
  657    HA   THR 106           HA       THR 106  -6.062  -2.868  -5.813
  658    HB   THR 106           HB       THR 106  -8.070  -2.496  -7.425
  659    HG1  THR 106           1HG      THR 106  -8.571  -0.387  -7.846
  660   1HG2  THR 106          1HG2      THR 106  -8.247  -2.711  -4.979
  661   2HG2  THR 106          2HG2      THR 106  -9.379  -1.512  -5.607
  662   3HG2  THR 106          3HG2      THR 106  -7.896  -0.990  -4.806
  663    H    GLU 107           H        GLU 107  -5.736  -0.965  -8.827
  664    HA   GLU 107           HA       GLU 107  -5.270  -2.998 -10.605
  665   1HB   GLU 107          2HB       GLU 107  -3.978  -0.260 -10.508
  666   2HB   GLU 107          1HB       GLU 107  -4.019  -1.308 -11.922
  667   1HG   GLU 107          2HG       GLU 107  -6.366  -1.117 -12.120
  668   2HG   GLU 107          1HG       GLU 107  -6.513  -0.377 -10.529
  669    H    SER 108           H        SER 108  -2.763  -1.234  -8.823
  670    HA   SER 108           HA       SER 108  -0.553  -2.761  -9.409
  671   1HB   SER 108          2HB       SER 108  -1.236  -1.530  -6.732
  672   2HB   SER 108          1HB       SER 108   0.349  -2.195  -7.134
  673    HG   SER 108           HG       SER 108  -0.970   0.052  -8.216
  674    H    LEU 109           H        LEU 109  -2.916  -3.485  -6.825
  675    HA   LEU 109           HA       LEU 109  -1.858  -5.882  -5.919
  676   1HB   LEU 109          2HB       LEU 109  -4.527  -4.656  -5.963
  677   2HB   LEU 109          1HB       LEU 109  -4.516  -6.401  -5.803
  678    HG   LEU 109           HG       LEU 109  -2.828  -5.974  -3.876
  679   1HD1  LEU 109          1HD1      LEU 109  -4.174  -3.298  -4.054
  680   2HD1  LEU 109          2HD1      LEU 109  -2.455  -3.626  -4.281
  681   3HD1  LEU 109          3HD1      LEU 109  -3.200  -3.876  -2.701
  682   1HD2  LEU 109          1HD2      LEU 109  -5.742  -5.289  -3.651
  683   2HD2  LEU 109          2HD2      LEU 109  -4.690  -5.753  -2.314
  684   3HD2  LEU 109          3HD2      LEU 109  -5.038  -6.903  -3.604
  685    H    GLY 110           H        GLY 110  -4.181  -5.370  -8.556
  686   1HA   GLY 110          2HA       GLY 110  -4.504  -8.077  -9.243
  687   2HA   GLY 110          1HA       GLY 110  -4.824  -6.711 -10.302
  688    H    ALA 111           H        ALA 111  -2.449  -5.605 -10.783
  689    HA   ALA 111           HA       ALA 111  -1.221  -7.353 -12.601
  690   1HB   ALA 111          1HB       ALA 111  -0.074  -4.818 -11.447
  691   2HB   ALA 111          2HB       ALA 111  -1.193  -4.905 -12.807
  692   3HB   ALA 111          3HB       ALA 111   0.420  -5.609 -12.944
  693    H    GLY 112           H        GLY 112  -0.556  -6.723  -9.243
  694   1HA   GLY 112          2HA       GLY 112   0.732  -7.982  -7.778
  695   2HA   GLY 112          1HA       GLY 112   1.264  -8.965  -9.138
  696    H    GLN 113           H        GLN 113   1.506  -5.553  -9.382
  697    HA   GLN 113           HA       GLN 113   4.247  -5.405  -8.511
  698   1HB   GLN 113          2HB       GLN 113   5.124  -4.740 -10.729
  699   2HB   GLN 113          1HB       GLN 113   4.575  -6.409 -10.710
  700   1HG   GLN 113          2HG       GLN 113   2.526  -5.772 -11.839
  701   2HG   GLN 113          1HG       GLN 113   3.008  -4.078 -11.791
  702   1HE2  GLN 113          1HE2      GLN 113   4.599  -3.347 -13.180
  703   2HE2  GLN 113          2HE2      GLN 113   5.140  -4.262 -14.545
  704    HA   PRO 114           HA       PRO 114   2.947  -1.211  -7.924
  705   1HB   PRO 114          2HB       PRO 114   5.726  -0.346  -8.277
  706   2HB   PRO 114          1HB       PRO 114   4.713  -0.298  -6.832
  707   1HG   PRO 114          2HG       PRO 114   6.804  -1.993  -7.094
  708   2HG   PRO 114          1HG       PRO 114   5.359  -2.388  -6.148
  709   1HD   PRO 114          2HD       PRO 114   6.143  -3.289  -8.885
  710   2HD   PRO 114          1HD       PRO 114   5.346  -4.194  -7.580
  711    H    VAL 115           H        VAL 115   1.822  -0.671  -9.764
  712    HA   VAL 115           HA       VAL 115   3.111  -0.289 -12.284
  713    HB   VAL 115           HB       VAL 115   0.936   0.545 -13.075
  714   1HG1  VAL 115          1HG1      VAL 115  -0.357  -1.508 -12.674
  715   2HG1  VAL 115          2HG1      VAL 115   0.768  -1.949 -11.390
  716   3HG1  VAL 115          3HG1      VAL 115   1.330  -1.843 -13.058
  717   1HG2  VAL 115          1HG2      VAL 115  -1.000   0.592 -11.582
  718   2HG2  VAL 115          2HG2      VAL 115   0.231   1.749 -11.072
  719   3HG2  VAL 115          3HG2      VAL 115   0.045   0.221 -10.210
  720    HA   PRO 116           HA       PRO 116   4.376   3.964 -11.907
  721   1HB   PRO 116          2HB       PRO 116   4.204   4.616 -14.572
  722   2HB   PRO 116          1HB       PRO 116   5.569   3.756 -13.853
  723   1HG   PRO 116          2HG       PRO 116   3.231   2.672 -15.370
  724   2HG   PRO 116          1HG       PRO 116   4.939   2.201 -15.454
  725   1HD   PRO 116          2HD       PRO 116   3.123   0.746 -14.099
  726   2HD   PRO 116          1HD       PRO 116   4.804   0.901 -13.548
  727    H    VAL 117           H        VAL 117   2.956   5.335 -11.038
  728    HA   VAL 117           HA       VAL 117   0.206   5.280 -11.757
  729    HB   VAL 117           HB       VAL 117   0.782   5.609  -9.448
  730   1HG1  VAL 117          1HG1      VAL 117   2.924   6.726  -9.688
  731   2HG1  VAL 117          2HG1      VAL 117   1.862   7.659  -8.634
  732   3HG1  VAL 117          3HG1      VAL 117   2.124   8.172 -10.301
  733   1HG2  VAL 117          1HG2      VAL 117  -0.560   7.597  -8.923
  734   2HG2  VAL 117          2HG2      VAL 117  -1.298   6.610 -10.186
  735   3HG2  VAL 117          3HG2      VAL 117  -0.454   8.100 -10.610
  736    H    GLU 118           H        GLU 118  -0.628   6.246 -13.435
  737    HA   GLU 118           HA       GLU 118   0.554   8.525 -14.705
  738   1HB   GLU 118          2HB       GLU 118  -2.066   7.075 -15.107
  739   2HB   GLU 118          1HB       GLU 118  -1.580   8.462 -16.072
  740   1HG   GLU 118          2HG       GLU 118  -0.138   5.828 -15.886
  741   2HG   GLU 118          1HG       GLU 118  -1.107   6.405 -17.244
  742    H    CYS 119           H        CYS 119  -0.482  10.553 -15.001
  743    HA   CYS 119           HA       CYS 119  -1.246  11.852 -12.673
  744   1HB   CYS 119          2HB       CYS 119  -1.882  13.725 -14.166
  745   2HB   CYS 119          1HB       CYS 119  -0.314  13.036 -14.569
  746    HG   CYS 119           HG       CYS 119  -1.539  11.431 -16.687
  747    H    ARG 120           H        ARG 120  -3.160  10.044 -14.882
  748    HA   ARG 120           HA       ARG 120  -5.716  11.056 -14.420
  749   1HB   ARG 120          2HB       ARG 120  -4.990   9.343 -16.127
  750   2HB   ARG 120          1HB       ARG 120  -4.989   8.153 -14.837
  751   1HG   ARG 120          2HG       ARG 120  -7.356   8.414 -14.523
  752   2HG   ARG 120          1HG       ARG 120  -7.395   9.746 -15.681
  753   1HD   ARG 120          2HD       ARG 120  -6.648   6.888 -16.289
  754   2HD   ARG 120          1HD       ARG 120  -8.175   7.669 -16.700
  755    HE   ARG 120           HE       ARG 120  -6.808   9.205 -18.124
  756   1HH1  ARG 120          1HH1      ARG 120  -5.637   6.001 -17.319
  757   2HH1  ARG 120          2HH1      ARG 120  -4.629   5.876 -18.734
  758   1HH2  ARG 120          1HH2      ARG 120  -5.480   9.060 -19.962
  759   2HH2  ARG 120          2HH2      ARG 120  -4.510   7.639 -20.228
  760    H    HIS 121           H        HIS 121  -3.725   8.879 -12.503
  761    HA   HIS 121           HA       HIS 121  -5.831   8.627 -10.471
  762   1HB   HIS 121          2HB       HIS 121  -3.083   7.366 -10.646
  763   2HB   HIS 121          1HB       HIS 121  -4.219   7.099  -9.332
  764    HD1  HIS 121           1HD      HIS 121  -3.330   5.965 -12.706
  765    HD2  HIS 121           2HD      HIS 121  -6.521   5.562 -10.086
  766    HE1  HIS 121           1HE      HIS 121  -4.649   4.011 -13.556
  767    HE2  HIS 121           2HE      HIS 121  -6.411   3.626 -11.802
  768    H    ARG 122           H        ARG 122  -2.850  10.163 -11.190
  769    HA   ARG 122           HA       ARG 122  -2.226  10.974  -8.491
  770   1HB   ARG 122          2HB       ARG 122  -0.699  10.459 -10.654
  771   2HB   ARG 122          1HB       ARG 122  -0.822  12.206 -10.786
  772   1HG   ARG 122          2HG       ARG 122  -0.174  12.056  -8.212
  773   2HG   ARG 122          1HG       ARG 122   0.554  10.544  -8.763
  774   1HD   ARG 122          2HD       ARG 122   2.192  12.298  -8.913
  775   2HD   ARG 122          1HD       ARG 122   1.721  11.813 -10.544
  776    HE   ARG 122           HE       ARG 122   0.612  14.198  -9.195
  777   1HH1  ARG 122          1HH1      ARG 122   1.968  12.616 -12.021
  778   2HH1  ARG 122          2HH1      ARG 122   1.768  14.014 -13.044
  779   1HH2  ARG 122          1HH2      ARG 122   0.353  16.003 -10.512
  780   2HH2  ARG 122          2HH2      ARG 122   0.850  15.949 -12.186
  781    H    LEU 123           H        LEU 123  -4.738  11.905  -9.407
  782    HA   LEU 123           HA       LEU 123  -4.770  14.340 -10.791
  783   1HB   LEU 123          2HB       LEU 123  -7.074  14.418 -10.332
  784   2HB   LEU 123          1HB       LEU 123  -6.662  12.722 -10.477
  785    HG   LEU 123           HG       LEU 123  -6.981  14.127  -7.808
  786   1HD1  LEU 123          1HD1      LEU 123  -9.180  13.087  -7.681
  787   2HD1  LEU 123          2HD1      LEU 123  -8.993  12.470  -9.323
  788   3HD1  LEU 123          3HD1      LEU 123  -9.084  14.207  -9.038
  789   1HD2  LEU 123          1HD2      LEU 123  -6.924  11.202  -8.554
  790   2HD2  LEU 123          2HD2      LEU 123  -7.226  11.846  -6.941
  791   3HD2  LEU 123          3HD2      LEU 123  -5.655  12.088  -7.706
  792    H    GLU 124           H        GLU 124  -3.023  14.519  -8.281
  793    HA   GLU 124           HA       GLU 124  -4.419  16.076  -6.378
  794   1HB   GLU 124          2HB       GLU 124  -2.467  16.212  -5.190
  795   2HB   GLU 124          1HB       GLU 124  -2.136  14.794  -6.165
  796   1HG   GLU 124          2HG       GLU 124  -1.239  17.511  -7.036
  797   2HG   GLU 124          1HG       GLU 124  -0.315  16.575  -5.868
  Start of MODEL   11
    1   1H    GLY  20          1HT       GLY  20   1.073 -19.495   8.157
    2   2H    GLY  20          2HT       GLY  20   0.676 -20.010   9.725
    3   3H    GLY  20          3HT       GLY  20   2.077 -20.589   8.974
    4   1HA   GLY  20          1HA       GLY  20   2.638 -18.926  10.610
    5   2HA   GLY  20          2HA       GLY  20   3.040 -18.383   8.986
    6    H    THR  21           H        THR  21   2.678 -16.301   8.831
    7    HA   THR  21           HA       THR  21   0.106 -15.220   9.762
    8    HB   THR  21           HB       THR  21   2.793 -13.888  10.234
    9    HG1  THR  21           1HG      THR  21   2.161 -14.252  12.494
   10   1HG2  THR  21          1HG2      THR  21   0.021 -13.074  11.121
   11   2HG2  THR  21          2HG2      THR  21   0.967 -12.293   9.854
   12   3HG2  THR  21          3HG2      THR  21   1.525 -12.247  11.527
   13    HA   PRO  22           HA       PRO  22  -0.159 -13.439   5.637
   14   1HB   PRO  22          2HB       PRO  22  -1.115 -11.123   7.286
   15   2HB   PRO  22          1HB       PRO  22  -1.796 -11.796   5.799
   16   1HG   PRO  22          2HG       PRO  22  -2.893 -12.350   8.163
   17   2HG   PRO  22          1HG       PRO  22  -2.775 -13.587   6.900
   18   1HD   PRO  22          2HD       PRO  22  -1.232 -13.308   9.414
   19   2HD   PRO  22          1HD       PRO  22  -1.636 -14.767   8.491
   20    HA   PRO  23           HA       PRO  23   3.911 -11.802   5.287
   21   1HB   PRO  23          2HB       PRO  23   2.537 -10.171   3.178
   22   2HB   PRO  23          1HB       PRO  23   4.078 -11.036   3.102
   23   1HG   PRO  23          2HG       PRO  23   1.854 -12.074   2.041
   24   2HG   PRO  23          1HG       PRO  23   3.063 -13.095   2.837
   25   1HD   PRO  23          2HD       PRO  23   0.359 -12.338   3.737
   26   2HD   PRO  23          1HD       PRO  23   1.357 -13.727   4.205
   27    H    SER  24           H        SER  24   4.660 -10.450   6.765
   28    HA   SER  24           HA       SER  24   3.277  -8.120   7.622
   29   1HB   SER  24          2HB       SER  24   5.526  -7.736   8.847
   30   2HB   SER  24          1HB       SER  24   4.576  -9.159   9.276
   31    HG   SER  24           HG       SER  24   6.620  -9.228   7.309
   32    H    THR  25           H        THR  25   3.039  -7.066   5.558
   33    HA   THR  25           HA       THR  25   3.542  -5.563   3.932
   34    HB   THR  25           HB       THR  25   4.722  -3.585   4.629
   35    HG1  THR  25           1HG      THR  25   6.288  -5.285   5.979
   36   1HG2  THR  25          1HG2      THR  25   2.581  -3.950   5.697
   37   2HG2  THR  25          2HG2      THR  25   3.690  -3.140   6.803
   38   3HG2  THR  25          3HG2      THR  25   3.358  -4.862   6.990
   39    H    ARG  26           H        ARG  26   4.424  -7.311   2.638
   40    HA   ARG  26           HA       ARG  26   6.962  -8.382   3.055
   41   1HB   ARG  26          2HB       ARG  26   5.074  -9.493   1.874
   42   2HB   ARG  26          1HB       ARG  26   5.394  -8.463   0.484
   43   1HG   ARG  26          2HG       ARG  26   7.841  -9.666   1.211
   44   2HG   ARG  26          1HG       ARG  26   6.612 -10.930   1.205
   45   1HD   ARG  26          2HD       ARG  26   7.083  -8.986  -1.044
   46   2HD   ARG  26          1HD       ARG  26   7.744 -10.618  -0.981
   47    HE   ARG  26           HE       ARG  26   4.999 -10.856  -0.639
   48   1HH1  ARG  26          1HH1      ARG  26   7.217  -9.749  -3.133
   49   2HH1  ARG  26          2HH1      ARG  26   6.139 -10.168  -4.436
   50   1HH2  ARG  26          1HH2      ARG  26   3.599 -11.386  -2.351
   51   2HH2  ARG  26          2HH2      ARG  26   4.087 -11.075  -3.990
   52    H    PHE  27           H        PHE  27   5.963  -5.834   0.794
   53    HA   PHE  27           HA       PHE  27   8.791  -5.595  -0.007
   54   1HB   PHE  27          2HB       PHE  27   7.269  -6.381  -1.809
   55   2HB   PHE  27          1HB       PHE  27   6.350  -4.890  -1.648
   56    HD1  PHE  27           1HD      PHE  27   9.722  -6.206  -2.469
   57    HD2  PHE  27           2HD      PHE  27   6.955  -2.991  -2.848
   58    HE1  PHE  27           1HE      PHE  27  11.198  -5.132  -4.119
   59    HE2  PHE  27           2HE      PHE  27   8.430  -1.912  -4.492
   60    HZ   PHE  27           HZ       PHE  27  10.552  -2.983  -5.134
   61    HA   PRO  28           HA       PRO  28   7.824  -1.701   2.112
   62   1HB   PRO  28          2HB       PRO  28  10.574  -1.542   2.906
   63   2HB   PRO  28          1HB       PRO  28   9.164  -1.917   3.901
   64   1HG   PRO  28          2HG       PRO  28  11.176  -3.705   3.274
   65   2HG   PRO  28          1HG       PRO  28   9.543  -4.153   3.790
   66   1HD   PRO  28          2HD       PRO  28  10.715  -4.085   1.047
   67   2HD   PRO  28          1HD       PRO  28   9.556  -5.233   1.754
   68    H    GLY  29           H        GLY  29   9.697  -2.396  -0.578
   69   1HA   GLY  29          2HA       GLY  29  10.867   0.140  -1.096
   70   2HA   GLY  29          1HA       GLY  29  10.443  -1.064  -2.309
   71    H    VAL  30           H        VAL  30   7.704  -0.967  -1.020
   72    HA   VAL  30           HA       VAL  30   6.756   1.589  -2.125
   73    HB   VAL  30           HB       VAL  30   5.371  -1.087  -2.437
   74   1HG1  VAL  30          1HG1      VAL  30   3.694   0.542  -1.883
   75   2HG1  VAL  30          2HG1      VAL  30   3.611   0.232  -3.620
   76   3HG1  VAL  30          3HG1      VAL  30   4.382   1.700  -3.020
   77   1HG2  VAL  30          1HG2      VAL  30   7.065  -0.723  -4.126
   78   2HG2  VAL  30          2HG2      VAL  30   6.447   0.899  -4.444
   79   3HG2  VAL  30          3HG2      VAL  30   5.472  -0.513  -4.857
   80    H    ALA  31           H        ALA  31   6.159   2.744  -0.447
   81    HA   ALA  31           HA       ALA  31   5.029   1.394   1.903
   82   1HB   ALA  31          1HB       ALA  31   6.316   4.118   1.728
   83   2HB   ALA  31          2HB       ALA  31   7.081   2.642   2.347
   84   3HB   ALA  31          3HB       ALA  31   5.700   3.345   3.192
   85    H    ILE  32           H        ILE  32   2.910   1.354   1.591
   86    HA   ILE  32           HA       ILE  32   1.582   3.628   0.363
   87    HB   ILE  32           HB       ILE  32   0.286   1.089   1.292
   88   1HG1  ILE  32          2HG1      ILE  32   1.662   1.573  -1.366
   89   2HG1  ILE  32          1HG1      ILE  32   2.291   0.546  -0.084
   90   1HG2  ILE  32          1HG2      ILE  32  -1.197   2.865   0.626
   91   2HG2  ILE  32          2HG2      ILE  32  -1.236   1.575  -0.578
   92   3HG2  ILE  32          3HG2      ILE  32  -0.330   3.056  -0.899
   93   1HD1  ILE  32          1HD1      ILE  32  -0.262   0.108  -1.598
   94   2HD1  ILE  32          2HD1      ILE  32   0.380  -0.932  -0.326
   95   3HD1  ILE  32          3HD1      ILE  32   1.259  -0.745  -1.845
   96    H    TYR  33           H        TYR  33   0.934   5.189   1.689
   97    HA   TYR  33           HA       TYR  33  -0.032   4.431   4.330
   98   1HB   TYR  33          2HB       TYR  33   1.599   6.297   4.167
   99   2HB   TYR  33          1HB       TYR  33   0.436   7.204   3.204
  100    HD1  TYR  33           1HD      TYR  33  -1.488   8.241   4.238
  101    HD2  TYR  33           2HD      TYR  33   1.228   5.946   6.564
  102    HE1  TYR  33           1HE      TYR  33  -2.471   9.174   6.286
  103    HE2  TYR  33           2HE      TYR  33   0.250   6.869   8.621
  104    HH   TYR  33           HH       TYR  33  -1.008   8.931   9.294
  105    H    LEU  34           H        LEU  34  -2.009   4.784   5.015
  106    HA   LEU  34           HA       LEU  34  -4.046   5.478   3.012
  107   1HB   LEU  34          2HB       LEU  34  -4.823   3.696   5.226
  108   2HB   LEU  34          1HB       LEU  34  -5.336   3.694   3.550
  109    HG   LEU  34           HG       LEU  34  -2.629   2.672   4.394
  110   1HD1  LEU  34          1HD1      LEU  34  -5.201   1.127   4.118
  111   2HD1  LEU  34          2HD1      LEU  34  -4.302   1.407   5.609
  112   3HD1  LEU  34          3HD1      LEU  34  -3.597   0.421   4.326
  113   1HD2  LEU  34          1HD2      LEU  34  -2.778   1.446   2.272
  114   2HD2  LEU  34          2HD2      LEU  34  -2.866   3.192   2.035
  115   3HD2  LEU  34          3HD2      LEU  34  -4.333   2.217   1.946
  116    H    VAL  35           H        VAL  35  -5.399   7.044   3.698
  117    HA   VAL  35           HA       VAL  35  -4.993   8.155   6.316
  118    HB   VAL  35           HB       VAL  35  -6.832   9.734   5.598
  119   1HG1  VAL  35          1HG1      VAL  35  -4.401   9.558   3.833
  120   2HG1  VAL  35          2HG1      VAL  35  -4.427  10.242   5.458
  121   3HG1  VAL  35          3HG1      VAL  35  -5.347  11.008   4.163
  122   1HG2  VAL  35          1HG2      VAL  35  -6.393   8.416   2.932
  123   2HG2  VAL  35          2HG2      VAL  35  -7.389   9.836   3.251
  124   3HG2  VAL  35          3HG2      VAL  35  -7.854   8.269   3.909
  125    H    GLU  36           H        GLU  36  -5.628   6.390   7.576
  126    HA   GLU  36           HA       GLU  36  -7.906   4.892   7.498
  127   1HB   GLU  36          2HB       GLU  36  -5.970   4.513   8.990
  128   2HB   GLU  36          1HB       GLU  36  -6.520   5.837  10.007
  129   1HG   GLU  36          2HG       GLU  36  -8.545   4.629  10.542
  130   2HG   GLU  36          1HG       GLU  36  -8.076   3.322   9.456
  131    HA   PRO  37           HA       PRO  37 -10.101   8.228  10.510
  132   1HB   PRO  37          2HB       PRO  37  -8.965  10.549   9.016
  133   2HB   PRO  37          1HB       PRO  37  -9.475  10.440  10.706
  134   1HG   PRO  37          2HG       PRO  37  -6.899  10.362  10.075
  135   2HG   PRO  37          1HG       PRO  37  -7.550   9.315  11.348
  136   1HD   PRO  37          2HD       PRO  37  -6.721   8.630   8.573
  137   2HD   PRO  37          1HD       PRO  37  -6.626   7.660  10.054
  138    H    ARG  38           H        ARG  38  -9.428   8.527   7.091
  139    HA   ARG  38           HA       ARG  38 -12.295   8.954   6.625
  140   1HB   ARG  38          2HB       ARG  38  -9.996  10.432   5.376
  141   2HB   ARG  38          1HB       ARG  38 -11.544  10.299   4.553
  142   1HG   ARG  38          2HG       ARG  38 -12.647  11.348   6.473
  143   2HG   ARG  38          1HG       ARG  38 -11.082  11.508   7.272
  144   1HD   ARG  38          2HD       ARG  38 -10.292  12.992   5.571
  145   2HD   ARG  38          1HD       ARG  38 -11.725  12.703   4.584
  146    HE   ARG  38           HE       ARG  38 -12.937  13.726   6.623
  147   1HH1  ARG  38          1HH1      ARG  38  -9.808  14.682   5.397
  148   2HH1  ARG  38          2HH1      ARG  38  -9.925  16.318   5.976
  149   1HH2  ARG  38          1HH2      ARG  38 -13.118  15.893   7.369
  150   2HH2  ARG  38          2HH2      ARG  38 -11.814  16.999   7.088
  151    H    MET  39           H        MET  39 -10.796   6.517   6.630
  152    HA   MET  39           HA       MET  39 -11.566   5.629   3.964
  153   1HB   MET  39          2HB       MET  39  -8.868   5.218   5.219
  154   2HB   MET  39          1HB       MET  39  -9.530   3.990   4.146
  155   1HG   MET  39          2HG       MET  39  -9.719   5.580   2.367
  156   2HG   MET  39          1HG       MET  39  -9.173   6.883   3.422
  157   1HE   MET  39          1HE       MET  39  -6.604   3.539   1.601
  158   2HE   MET  39          2HE       MET  39  -8.249   3.966   1.129
  159   3HE   MET  39          3HE       MET  39  -7.951   3.177   2.679
  160    H    GLY  40           H        GLY  40 -12.925   4.033   4.127
  161   1HA   GLY  40          2HA       GLY  40 -13.852   3.038   6.561
  162   2HA   GLY  40          1HA       GLY  40 -14.158   2.304   4.994
  163    H    ARG  41           H        ARG  41 -12.920   1.732   7.966
  164    HA   ARG  41           HA       ARG  41 -10.548   0.355   7.613
  165   1HB   ARG  41          2HB       ARG  41 -11.480   0.895   9.804
  166   2HB   ARG  41          1HB       ARG  41 -12.794  -0.245   9.548
  167   1HG   ARG  41          2HG       ARG  41 -11.182  -2.083   9.484
  168   2HG   ARG  41          1HG       ARG  41  -9.870  -0.933   9.757
  169   1HD   ARG  41          2HD       ARG  41 -10.634  -2.127  11.815
  170   2HD   ARG  41          1HD       ARG  41 -10.724  -0.368  11.919
  171    HE   ARG  41           HE       ARG  41 -13.068  -0.489  11.819
  172   1HH1  ARG  41          1HH1      ARG  41 -11.572  -3.657  11.799
  173   2HH1  ARG  41          2HH1      ARG  41 -13.062  -4.502  12.070
  174   1HH2  ARG  41          1HH2      ARG  41 -15.004  -1.578  12.223
  175   2HH2  ARG  41          2HH2      ARG  41 -15.026  -3.315  12.320
  176    H    SER  42           H        SER  42 -13.811  -0.698   6.856
  177    HA   SER  42           HA       SER  42 -13.230  -3.432   6.478
  178   1HB   SER  42          2HB       SER  42 -15.534  -2.547   6.545
  179   2HB   SER  42          1HB       SER  42 -15.254  -1.707   5.021
  180    HG   SER  42           HG       SER  42 -15.758  -3.484   4.051
  181    H    ARG  43           H        ARG  43 -13.018  -0.629   4.335
  182    HA   ARG  43           HA       ARG  43 -12.121  -2.135   2.068
  183   1HB   ARG  43          2HB       ARG  43 -13.236   0.129   1.923
  184   2HB   ARG  43          1HB       ARG  43 -11.751   0.829   2.559
  185   1HG   ARG  43          2HG       ARG  43 -10.624  -0.408   0.570
  186   2HG   ARG  43          1HG       ARG  43 -12.259  -0.443  -0.095
  187   1HD   ARG  43          2HD       ARG  43 -12.316   2.061   0.390
  188   2HD   ARG  43          1HD       ARG  43 -10.572   1.929   0.612
  189    HE   ARG  43           HE       ARG  43 -10.433   1.193  -1.716
  190   1HH1  ARG  43          1HH1      ARG  43 -13.375   2.770  -0.676
  191   2HH1  ARG  43          2HH1      ARG  43 -13.819   3.287  -2.272
  192   1HH2  ARG  43          1HH2      ARG  43 -11.010   1.866  -3.843
  193   2HH2  ARG  43          2HH2      ARG  43 -12.482   2.763  -4.072
  194    H    ARG  44           H        ARG  44 -10.564   0.017   4.452
  195    HA   ARG  44           HA       ARG  44  -7.942  -0.289   3.699
  196   1HB   ARG  44          2HB       ARG  44  -8.568   1.188   5.521
  197   2HB   ARG  44          1HB       ARG  44  -9.058  -0.184   6.507
  198   1HG   ARG  44          2HG       ARG  44  -6.817  -0.928   6.739
  199   2HG   ARG  44          1HG       ARG  44  -6.244   0.216   5.525
  200   1HD   ARG  44          2HD       ARG  44  -6.801   2.079   6.988
  201   2HD   ARG  44          1HD       ARG  44  -7.457   0.961   8.187
  202    HE   ARG  44           HE       ARG  44  -5.160   0.045   8.377
  203   1HH1  ARG  44          1HH1      ARG  44  -5.622   3.291   7.146
  204   2HH1  ARG  44          2HH1      ARG  44  -4.047   3.837   7.611
  205   1HH2  ARG  44          1HH2      ARG  44  -3.087   0.747   8.994
  206   2HH2  ARG  44          2HH2      ARG  44  -2.593   2.378   8.670
  207    H    ALA  45           H        ALA  45  -9.419  -2.339   6.285
  208    HA   ALA  45           HA       ALA  45  -7.572  -4.297   6.403
  209   1HB   ALA  45          1HB       ALA  45 -10.543  -4.716   6.562
  210   2HB   ALA  45          2HB       ALA  45  -9.491  -4.178   7.872
  211   3HB   ALA  45          3HB       ALA  45  -9.307  -5.801   7.204
  212    H    PHE  46           H        PHE  46  -9.581  -3.740   3.730
  213    HA   PHE  46           HA       PHE  46  -9.485  -6.461   2.715
  214   1HB   PHE  46          2HB       PHE  46 -11.398  -5.678   1.809
  215   2HB   PHE  46          1HB       PHE  46 -10.931  -4.005   2.062
  216    HD1  PHE  46           1HD      PHE  46 -10.892  -6.826  -0.248
  217    HD2  PHE  46           2HD      PHE  46  -9.921  -2.721   0.287
  218    HE1  PHE  46           1HE      PHE  46 -10.589  -6.596  -2.662
  219    HE2  PHE  46           2HE      PHE  46  -9.620  -2.477  -2.144
  220    HZ   PHE  46           HZ       PHE  46  -9.976  -4.313  -3.617
  221    H    LEU  47           H        LEU  47  -8.113  -3.307   1.891
  222    HA   LEU  47           HA       LEU  47  -6.325  -4.382  -0.090
  223   1HB   LEU  47          2HB       LEU  47  -5.447  -2.138  -0.219
  224   2HB   LEU  47          1HB       LEU  47  -7.201  -2.083  -0.209
  225    HG   LEU  47           HG       LEU  47  -6.640  -1.816   2.443
  226   1HD1  LEU  47          1HD1      LEU  47  -4.871  -0.130   2.621
  227   2HD1  LEU  47          2HD1      LEU  47  -4.475  -0.378   0.922
  228   3HD1  LEU  47          3HD1      LEU  47  -4.255  -1.690   2.080
  229   1HD2  LEU  47          1HD2      LEU  47  -8.229  -0.506   1.201
  230   2HD2  LEU  47          2HD2      LEU  47  -6.925   0.345   0.367
  231   3HD2  LEU  47          3HD2      LEU  47  -7.150   0.557   2.104
  232    H    THR  48           H        THR  48  -6.343  -4.293   3.290
  233    HA   THR  48           HA       THR  48  -3.544  -3.736   3.681
  234    HB   THR  48           HB       THR  48  -5.592  -4.862   5.610
  235    HG1  THR  48           1HG      THR  48  -5.822  -2.624   4.887
  236   1HG2  THR  48          1HG2      THR  48  -3.955  -4.360   7.362
  237   2HG2  THR  48          2HG2      THR  48  -2.785  -3.870   6.136
  238   3HG2  THR  48          3HG2      THR  48  -3.320  -5.549   6.223
  239    H    GLY  49           H        GLY  49  -5.556  -6.717   4.242
  240   1HA   GLY  49          2HA       GLY  49  -3.268  -8.384   4.353
  241   2HA   GLY  49          1HA       GLY  49  -4.937  -8.906   4.154
  242    H    LEU  50           H        LEU  50  -5.005  -7.018   1.770
  243    HA   LEU  50           HA       LEU  50  -4.284  -9.049  -0.159
  244   1HB   LEU  50          2HB       LEU  50  -5.593  -6.367  -0.388
  245   2HB   LEU  50          1HB       LEU  50  -4.949  -7.153  -1.817
  246    HG   LEU  50           HG       LEU  50  -7.137  -8.180  -0.016
  247   1HD1  LEU  50          1HD1      LEU  50  -7.088  -7.363  -2.913
  248   2HD1  LEU  50          2HD1      LEU  50  -7.807  -6.451  -1.587
  249   3HD1  LEU  50          3HD1      LEU  50  -8.478  -8.016  -2.046
  250   1HD2  LEU  50          1HD2      LEU  50  -7.260 -10.090  -1.544
  251   2HD2  LEU  50          2HD2      LEU  50  -5.710 -10.034  -0.705
  252   3HD2  LEU  50          3HD2      LEU  50  -5.823  -9.508  -2.385
  253    H    ALA  51           H        ALA  51  -3.297  -5.677   0.447
  254    HA   ALA  51           HA       ALA  51  -1.396  -5.672  -1.670
  255   1HB   ALA  51          1HB       ALA  51  -2.494  -3.652  -0.726
  256   2HB   ALA  51          2HB       ALA  51  -0.738  -3.520  -0.865
  257   3HB   ALA  51          3HB       ALA  51  -1.478  -3.826   0.708
  258    H    ARG  52           H        ARG  52  -1.208  -6.338   1.773
  259    HA   ARG  52           HA       ARG  52   1.575  -6.481   2.045
  260   1HB   ARG  52          2HB       ARG  52  -0.702  -7.823   3.478
  261   2HB   ARG  52          1HB       ARG  52   0.969  -8.193   3.890
  262   1HG   ARG  52          2HG       ARG  52   1.390  -5.975   4.579
  263   2HG   ARG  52          1HG       ARG  52  -0.114  -5.390   3.871
  264   1HD   ARG  52          2HD       ARG  52  -0.262  -5.554   6.307
  265   2HD   ARG  52          1HD       ARG  52  -1.396  -6.642   5.514
  266    HE   ARG  52           HE       ARG  52   0.729  -8.240   5.960
  267   1HH1  ARG  52          1HH1      ARG  52  -0.988  -6.015   8.064
  268   2HH1  ARG  52          2HH1      ARG  52  -0.776  -6.997   9.477
  269   1HH2  ARG  52          1HH2      ARG  52   0.993  -9.537   7.848
  270   2HH2  ARG  52          2HH2      ARG  52   0.348  -8.965   9.365
  271    H    SER  53           H        SER  53  -0.787  -8.963   1.111
  272    HA   SER  53           HA       SER  53   1.238 -10.947   0.690
  273   1HB   SER  53          2HB       SER  53  -1.656 -10.943  -0.199
  274   2HB   SER  53          1HB       SER  53  -0.595 -12.346  -0.082
  275    HG   SER  53           HG       SER  53  -1.935 -10.961   1.900
  276    H    LYS  54           H        LYS  54  -0.145  -8.428  -1.216
  277    HA   LYS  54           HA       LYS  54   0.196  -9.676  -3.755
  278   1HB   LYS  54          2HB       LYS  54  -0.315  -6.812  -2.986
  279   2HB   LYS  54          1HB       LYS  54  -0.120  -7.325  -4.654
  280   1HG   LYS  54          2HG       LYS  54  -2.250  -8.245  -2.738
  281   2HG   LYS  54          1HG       LYS  54  -2.460  -7.143  -4.098
  282   1HD   LYS  54          2HD       LYS  54  -1.824  -8.940  -5.636
  283   2HD   LYS  54          1HD       LYS  54  -1.646 -10.039  -4.265
  284   1HE   LYS  54          2HE       LYS  54  -4.017  -9.698  -3.705
  285   2HE   LYS  54          1HE       LYS  54  -4.184  -8.645  -5.109
  286   1HZ   LYS  54          1HZ       LYS  54  -4.967 -10.871  -5.583
  287   2HZ   LYS  54          2HZ       LYS  54  -3.457 -11.524  -5.179
  288   3HZ   LYS  54          3HZ       LYS  54  -3.612 -10.513  -6.533
  289    H    GLY  55           H        GLY  55   2.145  -7.089  -2.066
  290   1HA   GLY  55          2HA       GLY  55   4.572  -7.713  -2.786
  291   2HA   GLY  55          1HA       GLY  55   3.967  -7.114  -4.325
  292    H    PHE  56           H        PHE  56   2.960  -5.798  -1.230
  293    HA   PHE  56           HA       PHE  56   4.830  -3.534  -1.444
  294   1HB   PHE  56          2HB       PHE  56   1.928  -3.014  -0.852
  295   2HB   PHE  56          1HB       PHE  56   3.150  -1.891  -1.426
  296    HD1  PHE  56           1HD      PHE  56   3.580  -1.613  -3.753
  297    HD2  PHE  56           2HD      PHE  56   0.813  -4.547  -2.406
  298    HE1  PHE  56           1HE      PHE  56   2.758  -1.889  -6.053
  299    HE2  PHE  56           2HE      PHE  56  -0.007  -4.827  -4.704
  300    HZ   PHE  56           HZ       PHE  56   0.892  -3.476  -6.508
  301    H    ARG  57           H        ARG  57   5.163  -2.426   0.735
  302    HA   ARG  57           HA       ARG  57   4.153  -3.863   2.957
  303   1HB   ARG  57          2HB       ARG  57   5.445  -2.400   4.262
  304   2HB   ARG  57          1HB       ARG  57   6.346  -2.477   2.759
  305   1HG   ARG  57          2HG       ARG  57   5.840  -0.321   2.183
  306   2HG   ARG  57          1HG       ARG  57   4.361  -0.296   3.144
  307   1HD   ARG  57          2HD       ARG  57   7.155  -0.371   4.289
  308   2HD   ARG  57          1HD       ARG  57   6.187   1.092   4.107
  309    HE   ARG  57           HE       ARG  57   4.547  -0.449   5.548
  310   1HH1  ARG  57          1HH1      ARG  57   7.906   0.453   6.009
  311   2HH1  ARG  57          2HH1      ARG  57   7.881   0.097   7.715
  312   1HH2  ARG  57          1HH2      ARG  57   4.512  -0.835   7.795
  313   2HH2  ARG  57          2HH2      ARG  57   5.960  -0.608   8.723
  314    H    VAL  58           H        VAL  58   3.334  -2.174   4.778
  315    HA   VAL  58           HA       VAL  58   1.202  -0.551   3.659
  316    HB   VAL  58           HB       VAL  58   0.932  -2.393   6.046
  317   1HG1  VAL  58          1HG1      VAL  58  -1.333  -1.498   6.296
  318   2HG1  VAL  58          2HG1      VAL  58  -1.020  -0.341   5.002
  319   3HG1  VAL  58          3HG1      VAL  58  -0.117  -0.238   6.513
  320   1HG2  VAL  58          1HG2      VAL  58   0.615  -3.528   3.926
  321   2HG2  VAL  58          2HG2      VAL  58  -0.541  -2.298   3.416
  322   3HG2  VAL  58          3HG2      VAL  58  -0.928  -3.367   4.764
  323    H    LEU  59           H        LEU  59   1.448   1.481   4.313
  324    HA   LEU  59           HA       LEU  59   3.336   1.987   6.508
  325   1HB   LEU  59          2HB       LEU  59   3.741   2.760   4.096
  326   2HB   LEU  59          1HB       LEU  59   2.462   3.923   4.374
  327    HG   LEU  59           HG       LEU  59   4.850   4.742   4.608
  328   1HD1  LEU  59          1HD1      LEU  59   2.931   5.115   6.891
  329   2HD1  LEU  59          2HD1      LEU  59   2.985   6.040   5.387
  330   3HD1  LEU  59          3HD1      LEU  59   4.316   6.152   6.544
  331   1HD2  LEU  59          1HD2      LEU  59   5.910   4.363   6.791
  332   2HD2  LEU  59          2HD2      LEU  59   5.779   2.884   5.839
  333   3HD2  LEU  59          3HD2      LEU  59   4.662   3.177   7.174
  334    H    ASP  60           H        ASP  60   2.615   2.943   8.325
  335    HA   ASP  60           HA       ASP  60   0.204   4.539   8.305
  336   1HB   ASP  60          2HB       ASP  60  -0.950   3.243  10.025
  337   2HB   ASP  60          1HB       ASP  60  -0.692   2.258   8.592
  338    H    ALA  61           H        ALA  61   2.843   5.179   8.699
  339    HA   ALA  61           HA       ALA  61   2.882   5.933  11.540
  340   1HB   ALA  61          1HB       ALA  61   5.277   5.209   9.847
  341   2HB   ALA  61          2HB       ALA  61   4.568   4.192  11.101
  342   3HB   ALA  61          3HB       ALA  61   5.313   5.732  11.531
  343    H    CYS  62           H        CYS  62   4.182   7.910  11.923
  344    HA   CYS  62           HA       CYS  62   3.410   9.891   9.976
  345   1HB   CYS  62          2HB       CYS  62   4.800  10.199  12.645
  346   2HB   CYS  62          1HB       CYS  62   4.152  11.515  11.670
  347    HG   CYS  62           HG       CYS  62   2.652   9.897  14.001
  348    H    SER  63           H        SER  63   5.900   7.913   9.942
  349    HA   SER  63           HA       SER  63   8.157   9.611   9.613
  350   1HB   SER  63          2HB       SER  63   9.122   7.509   8.536
  351   2HB   SER  63          1HB       SER  63   8.549   7.330  10.196
  352    HG   SER  63           HG       SER  63   7.779   5.618   8.927
  353    H    SER  64           H        SER  64   9.397   9.648   7.501
  354    HA   SER  64           HA       SER  64   7.559  10.431   5.369
  355   1HB   SER  64          2HB       SER  64   9.584  11.425   4.309
  356   2HB   SER  64          1HB       SER  64   9.269  12.063   5.921
  357    HG   SER  64           HG       SER  64  11.469  10.864   5.008
  358    H    GLU  65           H        GLU  65   8.824   7.659   6.300
  359    HA   GLU  65           HA       GLU  65  10.115   6.513   4.114
  360   1HB   GLU  65          2HB       GLU  65   9.847   5.468   6.376
  361   2HB   GLU  65          1HB       GLU  65   8.166   5.141   5.979
  362   1HG   GLU  65          2HG       GLU  65   9.035   3.842   3.986
  363   2HG   GLU  65          1HG       GLU  65  10.629   3.967   4.730
  364    H    ALA  66           H        ALA  66   6.780   7.279   4.681
  365    HA   ALA  66           HA       ALA  66   5.510   5.610   2.849
  366   1HB   ALA  66          1HB       ALA  66   4.737   8.429   3.594
  367   2HB   ALA  66          2HB       ALA  66   4.315   6.968   4.483
  368   3HB   ALA  66          3HB       ALA  66   3.696   7.211   2.854
  369    H    THR  67           H        THR  67   5.003   5.815   0.704
  370    HA   THR  67           HA       THR  67   6.126   7.972  -0.867
  371    HB   THR  67           HB       THR  67   8.068   6.488  -0.395
  372    HG1  THR  67           1HG      THR  67   8.752   6.951  -2.335
  373   1HG2  THR  67          1HG2      THR  67   6.965   4.371  -0.132
  374   2HG2  THR  67          2HG2      THR  67   8.117   4.238  -1.461
  375   3HG2  THR  67          3HG2      THR  67   6.392   4.410  -1.800
  376    H    HIS  68           H        HIS  68   3.335   7.471  -0.997
  377    HA   HIS  68           HA       HIS  68   2.333   6.372  -2.974
  378   1HB   HIS  68          2HB       HIS  68   3.672   4.114  -1.614
  379   2HB   HIS  68          1HB       HIS  68   1.984   3.833  -2.046
  380    HD1  HIS  68           1HD      HIS  68   5.167   3.248  -3.409
  381    HD2  HIS  68           2HD      HIS  68   1.677   4.877  -4.965
  382    HE1  HIS  68           1HE      HIS  68   5.382   3.039  -5.902
  383    HE2  HIS  68           2HE      HIS  68   3.330   4.171  -6.832
  384    H    VAL  69           H        VAL  69   1.280   8.012  -1.696
  385    HA   VAL  69           HA       VAL  69  -0.337   7.034   0.510
  386    HB   VAL  69           HB       VAL  69  -0.228   9.777  -0.757
  387   1HG1  VAL  69          1HG1      VAL  69  -1.606   8.824   1.752
  388   2HG1  VAL  69          2HG1      VAL  69  -2.396   9.327   0.258
  389   3HG1  VAL  69          3HG1      VAL  69  -1.494  10.502   1.218
  390   1HG2  VAL  69          1HG2      VAL  69   1.855   9.195   0.387
  391   2HG2  VAL  69          2HG2      VAL  69   0.945   8.763   1.836
  392   3HG2  VAL  69          3HG2      VAL  69   0.972  10.434   1.278
  393    H    VAL  70           H        VAL  70  -2.425   6.587   0.341
  394    HA   VAL  70           HA       VAL  70  -3.815   6.986  -2.211
  395    HB   VAL  70           HB       VAL  70  -4.957   4.812  -1.793
  396   1HG1  VAL  70          1HG1      VAL  70  -3.222   4.998  -3.483
  397   2HG1  VAL  70          2HG1      VAL  70  -3.143   3.423  -2.691
  398   3HG1  VAL  70          3HG1      VAL  70  -1.987   4.684  -2.264
  399   1HG2  VAL  70          1HG2      VAL  70  -2.740   4.414   0.185
  400   2HG2  VAL  70          2HG2      VAL  70  -3.856   3.164  -0.365
  401   3HG2  VAL  70          3HG2      VAL  70  -4.458   4.545   0.552
  402    H    MET  71           H        MET  71  -6.075   7.199  -1.997
  403    HA   MET  71           HA       MET  71  -7.256   7.365   0.628
  404   1HB   MET  71          2HB       MET  71  -6.141   9.572   0.379
  405   2HB   MET  71          1HB       MET  71  -7.070   9.855  -1.085
  406   1HG   MET  71          2HG       MET  71  -9.131   9.806   0.175
  407   2HG   MET  71          1HG       MET  71  -8.248   9.431   1.648
  408   1HE   MET  71          1HE       MET  71  -5.669  11.479   0.715
  409   2HE   MET  71          2HE       MET  71  -6.138  11.182   2.387
  410   3HE   MET  71          3HE       MET  71  -6.049  12.834   1.778
  411    H    GLU  72           H        GLU  72  -9.516   7.248   0.550
  412    HA   GLU  72           HA       GLU  72 -10.652   7.025  -2.148
  413   1HB   GLU  72          2HB       GLU  72 -12.507   5.805  -1.117
  414   2HB   GLU  72          1HB       GLU  72 -10.967   5.042  -0.750
  415   1HG   GLU  72          2HG       GLU  72 -10.986   5.920   1.469
  416   2HG   GLU  72          1HG       GLU  72 -12.413   6.897   1.122
  417    H    GLU  73           H        GLU  73 -12.843   7.951  -2.442
  418    HA   GLU  73           HA       GLU  73 -14.397   9.607  -2.315
  419   1HB   GLU  73          2HB       GLU  73 -13.391   9.932   0.512
  420   2HB   GLU  73          1HB       GLU  73 -14.819  10.721  -0.143
  421   1HG   GLU  73          2HG       GLU  73 -14.493   7.753  -0.145
  422   2HG   GLU  73          1HG       GLU  73 -15.173   8.619   1.234
  423    H    THR  74           H        THR  74 -11.330  10.088  -2.729
  424    HA   THR  74           HA       THR  74 -10.827  12.694  -1.731
  425    HB   THR  74           HB       THR  74  -9.146  11.746  -3.936
  426    HG1  THR  74           1HG      THR  74  -8.393   9.953  -2.848
  427   1HG2  THR  74          1HG2      THR  74  -8.579  12.451  -1.057
  428   2HG2  THR  74          2HG2      THR  74  -8.569  13.587  -2.406
  429   3HG2  THR  74          3HG2      THR  74  -7.394  12.274  -2.349
  430    H    SER  75           H        SER  75 -11.533  14.540  -2.571
  431    HA   SER  75           HA       SER  75 -11.580  14.896  -5.461
  432   1HB   SER  75          2HB       SER  75 -11.921  16.957  -3.256
  433   2HB   SER  75          1HB       SER  75 -12.264  17.191  -4.971
  434    HG   SER  75           HG       SER  75 -13.721  15.228  -4.551
  435    H    ALA  76           H        ALA  76 -10.032  16.285  -6.494
  436    HA   ALA  76           HA       ALA  76  -7.445  15.676  -6.104
  437   1HB   ALA  76          1HB       ALA  76  -8.416  16.873  -8.044
  438   2HB   ALA  76          2HB       ALA  76  -6.843  17.485  -7.524
  439   3HB   ALA  76          3HB       ALA  76  -8.318  18.368  -7.103
  440    H    GLU  77           H        GLU  77  -9.007  18.495  -4.612
  441    HA   GLU  77           HA       GLU  77  -6.496  19.450  -3.542
  442   1HB   GLU  77          2HB       GLU  77  -8.045  21.074  -2.293
  443   2HB   GLU  77          1HB       GLU  77  -7.958  21.199  -4.044
  444   1HG   GLU  77          2HG       GLU  77 -10.072  19.528  -2.783
  445   2HG   GLU  77          1HG       GLU  77 -10.253  21.280  -2.843
  446    H    GLU  78           H        GLU  78  -9.293  17.734  -2.341
  447    HA   GLU  78           HA       GLU  78  -8.968  17.572   0.322
  448   1HB   GLU  78          2HB       GLU  78  -9.541  15.296  -1.565
  449   2HB   GLU  78          1HB       GLU  78  -9.642  15.133   0.181
  450   1HG   GLU  78          2HG       GLU  78 -11.206  17.150  -1.399
  451   2HG   GLU  78          1HG       GLU  78 -11.805  15.548  -0.974
  452    H    ALA  79           H        ALA  79  -7.160  15.369  -1.892
  453    HA   ALA  79           HA       ALA  79  -5.561  14.517   0.338
  454   1HB   ALA  79          1HB       ALA  79  -4.310  13.167  -1.297
  455   2HB   ALA  79          2HB       ALA  79  -5.345  13.823  -2.569
  456   3HB   ALA  79          3HB       ALA  79  -6.045  12.848  -1.266
  457    H    VAL  80           H        VAL  80  -5.348  17.026  -2.017
  458    HA   VAL  80           HA       VAL  80  -2.514  17.290  -2.025
  459    HB   VAL  80           HB       VAL  80  -4.750  19.158  -2.789
  460   1HG1  VAL  80          1HG1      VAL  80  -2.952  20.545  -1.869
  461   2HG1  VAL  80          2HG1      VAL  80  -3.086  20.738  -3.616
  462   3HG1  VAL  80          3HG1      VAL  80  -1.794  19.746  -2.934
  463   1HG2  VAL  80          1HG2      VAL  80  -3.754  18.872  -5.023
  464   2HG2  VAL  80          2HG2      VAL  80  -4.276  17.343  -4.312
  465   3HG2  VAL  80          3HG2      VAL  80  -2.565  17.769  -4.330
  466    H    SER  81           H        SER  81  -5.086  19.065  -0.254
  467    HA   SER  81           HA       SER  81  -3.392  20.439   1.491
  468   1HB   SER  81          2HB       SER  81  -5.864  20.809   1.263
  469   2HB   SER  81          1HB       SER  81  -6.128  19.314   2.160
  470    HG   SER  81           HG       SER  81  -4.993  21.751   3.041
  471    H    TRP  82           H        TRP  82  -4.954  17.314   1.879
  472    HA   TRP  82           HA       TRP  82  -3.777  16.358   4.156
  473   1HB   TRP  82          2HB       TRP  82  -5.176  14.790   3.175
  474   2HB   TRP  82          1HB       TRP  82  -4.398  14.937   1.600
  475    HD1  TRP  82           HD       TRP  82  -3.000  12.922   0.985
  476    HE1  TRP  82           1HE      TRP  82  -1.626  11.164   2.250
  477    HE3  TRP  82           3HE      TRP  82  -3.750  14.572   5.773
  478    HZ2  TRP  82           2HZ      TRP  82  -0.939  10.548   4.908
  479    HZ3  TRP  82           3HZ      TRP  82  -2.692  13.335   7.620
  480    HH2  TRP  82           HH       TRP  82  -1.316  11.366   7.189
  481    H    GLN  83           H        GLN  83  -2.221  16.362   0.939
  482    HA   GLN  83           HA       GLN  83   0.249  15.300   1.640
  483   1HB   GLN  83          2HB       GLN  83  -0.348  15.726  -0.671
  484   2HB   GLN  83          1HB       GLN  83  -0.402  17.458  -0.375
  485   1HG   GLN  83          2HG       GLN  83   2.029  17.365   0.169
  486   2HG   GLN  83          1HG       GLN  83   2.024  15.680  -0.349
  487   1HE2  GLN  83          1HE2      GLN  83   0.086  18.155  -1.844
  488   2HE2  GLN  83          2HE2      GLN  83   0.932  18.186  -3.351
  489    H    GLU  84           H        GLU  84  -0.865  18.661   1.813
  490    HA   GLU  84           HA       GLU  84   1.462  19.871   2.746
  491   1HB   GLU  84          2HB       GLU  84  -1.415  20.503   3.421
  492   2HB   GLU  84          1HB       GLU  84  -0.052  21.571   3.734
  493   1HG   GLU  84          2HG       GLU  84  -0.642  20.570   0.984
  494   2HG   GLU  84          1HG       GLU  84  -1.476  21.976   1.646
  495    H    ARG  85           H        ARG  85  -1.230  18.460   4.580
  496    HA   ARG  85           HA       ARG  85  -0.104  18.806   7.135
  497   1HB   ARG  85          2HB       ARG  85  -2.531  18.195   6.464
  498   2HB   ARG  85          1HB       ARG  85  -1.956  16.534   6.455
  499   1HG   ARG  85          2HG       ARG  85  -2.982  17.009   8.571
  500   2HG   ARG  85          1HG       ARG  85  -1.243  16.804   8.805
  501   1HD   ARG  85          2HD       ARG  85  -1.006  19.280   8.699
  502   2HD   ARG  85          1HD       ARG  85  -2.764  19.402   8.654
  503    HE   ARG  85           HE       ARG  85  -1.741  17.907  10.900
  504   1HH1  ARG  85          1HH1      ARG  85  -2.709  21.050   9.698
  505   2HH1  ARG  85          2HH1      ARG  85  -2.831  21.759  11.284
  506   1HH2  ARG  85          1HH2      ARG  85  -1.913  18.807  12.964
  507   2HH2  ARG  85          2HH2      ARG  85  -2.364  20.477  13.155
  508    H    ARG  86           H        ARG  86  -0.004  16.082   4.876
  509    HA   ARG  86           HA       ARG  86   1.471  14.250   6.320
  510   1HB   ARG  86          2HB       ARG  86   0.477  13.866   4.080
  511   2HB   ARG  86          1HB       ARG  86   1.683  14.920   3.369
  512   1HG   ARG  86          2HG       ARG  86   2.365  12.721   2.911
  513   2HG   ARG  86          1HG       ARG  86   3.424  13.300   4.194
  514   1HD   ARG  86          2HD       ARG  86   0.964  11.625   4.683
  515   2HD   ARG  86          1HD       ARG  86   2.576  10.944   4.468
  516    HE   ARG  86           HE       ARG  86   1.730  12.675   6.703
  517   1HH1  ARG  86          1HH1      ARG  86   3.886  10.293   5.341
  518   2HH1  ARG  86          2HH1      ARG  86   4.861  10.148   6.768
  519   1HH2  ARG  86          1HH2      ARG  86   3.016  12.516   8.595
  520   2HH2  ARG  86          2HH2      ARG  86   4.372  11.434   8.620
  521    H    MET  87           H        MET  87   2.703  16.759   4.133
  522    HA   MET  87           HA       MET  87   5.402  16.527   4.716
  523   1HB   MET  87          2HB       MET  87   3.805  18.951   3.905
  524   2HB   MET  87          1HB       MET  87   5.559  18.945   3.995
  525   1HG   MET  87          2HG       MET  87   4.114  16.934   2.324
  526   2HG   MET  87          1HG       MET  87   4.395  18.565   1.726
  527   1HE   MET  87          1HE       MET  87   6.883  16.105   3.872
  528   2HE   MET  87          2HE       MET  87   7.604  15.336   2.460
  529   3HE   MET  87          3HE       MET  87   5.872  15.176   2.761
  530    H    ALA  88           H        ALA  88   2.983  18.546   6.366
  531    HA   ALA  88           HA       ALA  88   4.718  19.847   8.120
  532   1HB   ALA  88          1HB       ALA  88   2.380  20.495   7.781
  533   2HB   ALA  88          2HB       ALA  88   2.764  20.291   9.492
  534   3HB   ALA  88          3HB       ALA  88   1.860  19.043   8.636
  535    H    ALA  89           H        ALA  89   3.595  16.569   8.161
  536    HA   ALA  89           HA       ALA  89   4.520  16.206  10.922
  537   1HB   ALA  89          1HB       ALA  89   3.043  14.284   9.124
  538   2HB   ALA  89          2HB       ALA  89   2.311  15.302  10.363
  539   3HB   ALA  89          3HB       ALA  89   3.437  14.024  10.823
  540    H    ALA  90           H        ALA  90   5.862  16.266   7.996
  541    HA   ALA  90           HA       ALA  90   7.531  13.878   8.315
  542   1HB   ALA  90          1HB       ALA  90   8.232  14.301   6.014
  543   2HB   ALA  90          2HB       ALA  90   7.273  15.780   5.985
  544   3HB   ALA  90          3HB       ALA  90   6.477  14.214   6.132
  545    HA   PRO  91           HA       PRO  91  11.142  16.207   9.509
  546   1HB   PRO  91          2HB       PRO  91  12.717  14.733   7.497
  547   2HB   PRO  91          1HB       PRO  91  12.890  14.760   9.254
  548   1HG   PRO  91          2HG       PRO  91  11.941  12.608   7.973
  549   2HG   PRO  91          1HG       PRO  91  11.330  13.085   9.567
  550   1HD   PRO  91          2HD       PRO  91  10.109  13.499   6.865
  551   2HD   PRO  91          1HD       PRO  91   9.332  13.035   8.394
  552    HA   PRO  92           HA       PRO  92  11.305  19.451   6.436
  553   1HB   PRO  92          2HB       PRO  92  13.389  20.825   7.606
  554   2HB   PRO  92          1HB       PRO  92  11.696  20.986   8.081
  555   1HG   PRO  92          2HG       PRO  92  13.873  19.371   9.334
  556   2HG   PRO  92          1HG       PRO  92  12.585  20.313  10.108
  557   1HD   PRO  92          2HD       PRO  92  12.456  17.631   9.905
  558   2HD   PRO  92          1HD       PRO  92  11.007  18.650   9.794
  559    H    GLY  93           H        GLY  93  12.227  19.217   4.506
  560   1HA   GLY  93          2HA       GLY  93  14.274  19.364   3.187
  561   2HA   GLY  93          1HA       GLY  93  15.055  18.359   4.399
  562    H    CYS  94           H        CYS  94  12.209  16.962   4.285
  563    HA   CYS  94           HA       CYS  94  13.056  15.025   2.269
  564   1HB   CYS  94          2HB       CYS  94  10.893  14.846   4.379
  565   2HB   CYS  94          1HB       CYS  94  11.387  13.537   3.309
  566    HG   CYS  94           HG       CYS  94  14.167  14.176   4.513
  567    H    THR  95           H        THR  95  12.114  14.876   0.355
  568    HA   THR  95           HA       THR  95  10.018  16.632  -0.438
  569    HB   THR  95           HB       THR  95  10.086  15.184  -2.560
  570    HG1  THR  95           1HG      THR  95  12.029  13.887  -2.680
  571   1HG2  THR  95          1HG2      THR  95  11.237  17.332  -2.366
  572   2HG2  THR  95          2HG2      THR  95  12.200  16.181  -3.291
  573   3HG2  THR  95          3HG2      THR  95  12.617  16.533  -1.614
  574    HA   PRO  96           HA       PRO  96   6.416  14.297   0.536
  575   1HB   PRO  96          2HB       PRO  96   4.828  14.928  -1.607
  576   2HB   PRO  96          1HB       PRO  96   5.111  16.001  -0.233
  577   1HG   PRO  96          2HG       PRO  96   6.396  15.997  -2.931
  578   2HG   PRO  96          1HG       PRO  96   5.851  17.370  -1.948
  579   1HD   PRO  96          2HD       PRO  96   8.445  16.667  -2.103
  580   2HD   PRO  96          1HD       PRO  96   7.736  17.325  -0.614
  581    HA   PRO  97           HA       PRO  97   6.598  10.379  -1.641
  582   1HB   PRO  97          2HB       PRO  97   4.120   9.507  -0.823
  583   2HB   PRO  97          1HB       PRO  97   5.593   9.380   0.144
  584   1HG   PRO  97          2HG       PRO  97   3.416  11.426   0.266
  585   2HG   PRO  97          1HG       PRO  97   4.272  10.617   1.593
  586   1HD   PRO  97          2HD       PRO  97   4.886  13.113   0.865
  587   2HD   PRO  97          1HD       PRO  97   6.143  11.965   1.375
  588    H    ALA  98           H        ALA  98   4.240   9.112  -2.577
  589    HA   ALA  98           HA       ALA  98   3.741  10.727  -4.945
  590   1HB   ALA  98          1HB       ALA  98   2.861   7.895  -4.337
  591   2HB   ALA  98          2HB       ALA  98   4.355   8.327  -5.175
  592   3HB   ALA  98          3HB       ALA  98   2.794   8.714  -5.900
  593    H    LEU  99           H        LEU  99   1.907  11.893  -5.153
  594    HA   LEU  99           HA       LEU  99  -0.208  11.404  -3.187
  595   1HB   LEU  99          2HB       LEU  99   0.855  13.708  -3.465
  596   2HB   LEU  99          1HB       LEU  99   0.010  13.796  -5.000
  597    HG   LEU  99           HG       LEU  99  -2.145  13.526  -3.793
  598   1HD1  LEU  99          1HD1      LEU  99  -1.348  12.317  -1.849
  599   2HD1  LEU  99          2HD1      LEU  99  -2.159  13.802  -1.355
  600   3HD1  LEU  99          3HD1      LEU  99  -0.398  13.715  -1.344
  601   1HD2  LEU  99          1HD2      LEU  99  -1.298  15.746  -4.361
  602   2HD2  LEU  99          2HD2      LEU  99  -0.417  15.803  -2.833
  603   3HD2  LEU  99          3HD2      LEU  99  -2.181  15.768  -2.832
  604    H    LEU 100           H        LEU 100  -1.981  10.464  -3.774
  605    HA   LEU 100           HA       LEU 100  -3.292  10.638  -6.239
  606   1HB   LEU 100          2HB       LEU 100  -2.815   8.140  -6.836
  607   2HB   LEU 100          1HB       LEU 100  -1.711   9.392  -7.370
  608    HG   LEU 100           HG       LEU 100  -0.506   8.755  -5.064
  609   1HD1  LEU 100          1HD1      LEU 100  -2.133   7.067  -4.429
  610   2HD1  LEU 100          2HD1      LEU 100  -0.541   6.357  -4.708
  611   3HD1  LEU 100          3HD1      LEU 100  -1.811   6.184  -5.924
  612   1HD2  LEU 100          1HD2      LEU 100  -0.202   7.166  -7.601
  613   2HD2  LEU 100          2HD2      LEU 100   1.014   7.384  -6.340
  614   3HD2  LEU 100          3HD2      LEU 100   0.485   8.764  -7.305
  615    H    ASP 101           H        ASP 101  -4.666   8.186  -6.257
  616    HA   ASP 101           HA       ASP 101  -5.733   8.219  -3.522
  617   1HB   ASP 101          2HB       ASP 101  -7.929   8.363  -4.285
  618   2HB   ASP 101          1HB       ASP 101  -7.066   9.462  -5.355
  619    H    ILE 102           H        ILE 102  -7.187   6.356  -3.104
  620    HA   ILE 102           HA       ILE 102  -5.857   3.980  -3.104
  621    HB   ILE 102           HB       ILE 102  -7.714   4.514  -1.610
  622   1HG1  ILE 102          2HG1      ILE 102  -8.850   2.305  -1.609
  623   2HG1  ILE 102          1HG1      ILE 102  -8.149   1.972  -3.190
  624   1HG2  ILE 102          1HG2      ILE 102 -10.035   4.264  -2.348
  625   2HG2  ILE 102          2HG2      ILE 102  -9.477   4.027  -4.006
  626   3HG2  ILE 102          3HG2      ILE 102  -9.207   5.571  -3.196
  627   1HD1  ILE 102          1HD1      ILE 102  -6.643   2.421  -0.632
  628   2HD1  ILE 102          2HD1      ILE 102  -5.914   2.142  -2.213
  629   3HD1  ILE 102          3HD1      ILE 102  -6.887   0.878  -1.457
  630    H    SER 103           H        SER 103  -7.445   5.270  -5.823
  631    HA   SER 103           HA       SER 103  -8.319   2.847  -7.024
  632   1HB   SER 103          2HB       SER 103  -7.622   5.490  -8.317
  633   2HB   SER 103          1HB       SER 103  -8.464   4.156  -9.110
  634    HG   SER 103           HG       SER 103  -9.350   5.903  -7.098
  635    H    TRP 104           H        TRP 104  -5.225   4.437  -6.852
  636    HA   TRP 104           HA       TRP 104  -3.931   2.994  -8.917
  637   1HB   TRP 104          2HB       TRP 104  -2.697   4.830  -8.118
  638   2HB   TRP 104          1HB       TRP 104  -2.952   4.394  -6.434
  639    HD1  TRP 104           HD       TRP 104  -0.736   3.489  -9.452
  640    HE1  TRP 104           1HE      TRP 104   1.332   2.199  -8.597
  641    HE3  TRP 104           3HE      TRP 104  -2.068   2.953  -4.544
  642    HZ2  TRP 104           2HZ      TRP 104   2.256   1.100  -6.184
  643    HZ3  TRP 104           3HZ      TRP 104  -0.536   1.769  -3.030
  644    HH2  TRP 104           HH       TRP 104   1.581   0.862  -3.835
  645    H    LEU 105           H        LEU 105  -4.712   2.259  -5.589
  646    HA   LEU 105           HA       LEU 105  -2.760   0.183  -5.369
  647   1HB   LEU 105          2HB       LEU 105  -3.503   1.547  -3.442
  648   2HB   LEU 105          1HB       LEU 105  -5.081   0.784  -3.542
  649    HG   LEU 105           HG       LEU 105  -4.178  -1.350  -2.927
  650   1HD1  LEU 105          1HD1      LEU 105  -1.475  -0.022  -3.100
  651   2HD1  LEU 105          2HD1      LEU 105  -2.099  -1.294  -4.152
  652   3HD1  LEU 105          3HD1      LEU 105  -1.773  -1.636  -2.453
  653   1HD2  LEU 105          1HD2      LEU 105  -2.972   0.795  -1.184
  654   2HD2  LEU 105          2HD2      LEU 105  -3.321  -0.867  -0.704
  655   3HD2  LEU 105          3HD2      LEU 105  -4.641   0.230  -1.111
  656    H    THR 106           H        THR 106  -6.270   0.254  -5.826
  657    HA   THR 106           HA       THR 106  -6.698  -2.489  -5.488
  658    HB   THR 106           HB       THR 106  -8.716  -1.940  -7.088
  659    HG1  THR 106           1HG      THR 106  -8.646   0.053  -7.817
  660   1HG2  THR 106          1HG2      THR 106  -8.354  -0.639  -4.380
  661   2HG2  THR 106          2HG2      THR 106  -8.875  -2.300  -4.666
  662   3HG2  THR 106          3HG2      THR 106  -9.898  -0.954  -5.173
  663    H    GLU 107           H        GLU 107  -6.363  -0.676  -8.558
  664    HA   GLU 107           HA       GLU 107  -6.140  -2.854 -10.248
  665   1HB   GLU 107          2HB       GLU 107  -4.997  -0.071 -10.450
  666   2HB   GLU 107          1HB       GLU 107  -4.960  -1.231 -11.775
  667   1HG   GLU 107          2HG       GLU 107  -7.298  -1.244 -11.976
  668   2HG   GLU 107          1HG       GLU 107  -7.520  -0.470 -10.409
  669    H    SER 108           H        SER 108  -3.457  -1.020  -8.782
  670    HA   SER 108           HA       SER 108  -1.367  -2.584  -9.736
  671   1HB   SER 108          2HB       SER 108  -0.045  -1.878  -7.727
  672   2HB   SER 108          1HB       SER 108  -0.828  -0.553  -8.583
  673    HG   SER 108           HG       SER 108  -2.245  -0.315  -6.974
  674    H    LEU 109           H        LEU 109  -3.262  -3.142  -6.767
  675    HA   LEU 109           HA       LEU 109  -2.149  -5.531  -5.935
  676   1HB   LEU 109          2HB       LEU 109  -5.054  -4.757  -5.948
  677   2HB   LEU 109          1HB       LEU 109  -4.395  -6.131  -5.080
  678    HG   LEU 109           HG       LEU 109  -3.991  -3.207  -4.535
  679   1HD1  LEU 109          1HD1      LEU 109  -4.879  -5.540  -2.872
  680   2HD1  LEU 109          2HD1      LEU 109  -5.914  -4.276  -3.539
  681   3HD1  LEU 109          3HD1      LEU 109  -4.718  -3.879  -2.304
  682   1HD2  LEU 109          1HD2      LEU 109  -2.319  -3.792  -2.876
  683   2HD2  LEU 109          2HD2      LEU 109  -1.784  -4.276  -4.485
  684   3HD2  LEU 109          3HD2      LEU 109  -2.404  -5.485  -3.362
  685    H    GLY 110           H        GLY 110  -4.579  -4.996  -8.436
  686   1HA   GLY 110          2HA       GLY 110  -5.155  -7.684  -9.026
  687   2HA   GLY 110          1HA       GLY 110  -5.364  -6.330 -10.129
  688    H    ALA 111           H        ALA 111  -2.879  -5.449 -10.595
  689    HA   ALA 111           HA       ALA 111  -1.746  -7.384 -12.314
  690   1HB   ALA 111          1HB       ALA 111   0.034  -5.762 -12.677
  691   2HB   ALA 111          2HB       ALA 111  -0.519  -4.830 -11.284
  692   3HB   ALA 111          3HB       ALA 111  -1.546  -4.980 -12.709
  693    H    GLY 112           H        GLY 112  -1.192  -6.573  -8.991
  694   1HA   GLY 112          2HA       GLY 112  -0.176  -7.933  -7.399
  695   2HA   GLY 112          1HA       GLY 112   0.474  -8.928  -8.694
  696    H    GLN 113           H        GLN 113   0.945  -5.555  -8.986
  697    HA   GLN 113           HA       GLN 113   3.465  -5.436  -7.661
  698   1HB   GLN 113          2HB       GLN 113   4.720  -5.027  -9.867
  699   2HB   GLN 113          1HB       GLN 113   4.383  -6.688  -9.400
  700   1HG   GLN 113          2HG       GLN 113   3.597  -6.936 -11.456
  701   2HG   GLN 113          1HG       GLN 113   2.187  -6.043 -10.891
  702   1HE2  GLN 113          1HE2      GLN 113   3.425  -6.246 -13.519
  703   2HE2  GLN 113          2HE2      GLN 113   3.749  -4.618 -14.021
  704    HA   PRO 114           HA       PRO 114   2.513  -1.199  -7.714
  705   1HB   PRO 114          2HB       PRO 114   4.984  -0.034  -7.699
  706   2HB   PRO 114          1HB       PRO 114   4.243  -0.800  -6.293
  707   1HG   PRO 114          2HG       PRO 114   6.320  -1.853  -8.150
  708   2HG   PRO 114          1HG       PRO 114   6.165  -2.059  -6.397
  709   1HD   PRO 114          2HD       PRO 114   5.465  -3.986  -8.198
  710   2HD   PRO 114          1HD       PRO 114   4.702  -3.814  -6.604
  711    H    VAL 115           H        VAL 115   1.611  -1.292  -9.865
  712    HA   VAL 115           HA       VAL 115   2.998  -0.646 -12.200
  713    HB   VAL 115           HB       VAL 115   0.824   0.066 -13.109
  714   1HG1  VAL 115          1HG1      VAL 115   0.630  -2.426 -11.421
  715   2HG1  VAL 115          2HG1      VAL 115   1.403  -2.310 -13.005
  716   3HG1  VAL 115          3HG1      VAL 115  -0.336  -2.054 -12.849
  717   1HG2  VAL 115          1HG2      VAL 115  -1.187   0.033 -11.735
  718   2HG2  VAL 115          2HG2      VAL 115  -0.037   1.213 -11.108
  719   3HG2  VAL 115          3HG2      VAL 115  -0.225  -0.346 -10.305
  720    HA   PRO 116           HA       PRO 116   3.940   3.671 -11.748
  721   1HB   PRO 116          2HB       PRO 116   3.574   3.926 -14.653
  722   2HB   PRO 116          1HB       PRO 116   5.044   4.107 -13.692
  723   1HG   PRO 116          2HG       PRO 116   4.667   2.007 -15.334
  724   2HG   PRO 116          1HG       PRO 116   5.555   1.861 -13.806
  725   1HD   PRO 116          2HD       PRO 116   2.725   1.096 -14.433
  726   2HD   PRO 116          1HD       PRO 116   3.945   0.213 -13.487
  727    H    VAL 117           H        VAL 117   2.617   5.294 -11.172
  728    HA   VAL 117           HA       VAL 117  -0.166   5.111 -11.787
  729    HB   VAL 117           HB       VAL 117   0.606   5.848  -9.577
  730   1HG1  VAL 117          1HG1      VAL 117   1.475   8.129  -9.263
  731   2HG1  VAL 117          2HG1      VAL 117   1.565   8.321 -11.013
  732   3HG1  VAL 117          3HG1      VAL 117   2.570   7.117 -10.207
  733   1HG2  VAL 117          1HG2      VAL 117  -1.627   6.438 -10.279
  734   2HG2  VAL 117          2HG2      VAL 117  -1.026   7.891 -11.078
  735   3HG2  VAL 117          3HG2      VAL 117  -0.942   7.751  -9.324
  736    H    GLU 118           H        GLU 118  -1.283   6.066 -13.312
  737    HA   GLU 118           HA       GLU 118  -0.002   7.853 -15.174
  738   1HB   GLU 118          2HB       GLU 118  -2.322   7.776 -16.257
  739   2HB   GLU 118          1HB       GLU 118  -1.395   6.281 -16.217
  740   1HG   GLU 118          2HG       GLU 118  -2.660   5.474 -14.362
  741   2HG   GLU 118          1HG       GLU 118  -3.491   7.018 -14.197
  742    H    CYS 119           H        CYS 119  -1.191   9.870 -15.887
  743    HA   CYS 119           HA       CYS 119  -1.314  11.668 -13.767
  744   1HB   CYS 119          2HB       CYS 119  -0.889  12.331 -16.090
  745   2HB   CYS 119          1HB       CYS 119  -2.548  11.933 -16.518
  746    HG   CYS 119           HG       CYS 119  -3.724  13.980 -15.134
  747    H    ARG 120           H        ARG 120  -3.875   9.843 -15.317
  748    HA   ARG 120           HA       ARG 120  -6.092  11.253 -14.322
  749   1HB   ARG 120          2HB       ARG 120  -5.878   8.309 -14.999
  750   2HB   ARG 120          1HB       ARG 120  -7.380   9.182 -14.758
  751   1HG   ARG 120          2HG       ARG 120  -7.105   8.966 -17.081
  752   2HG   ARG 120          1HG       ARG 120  -6.714  10.641 -16.700
  753   1HD   ARG 120          2HD       ARG 120  -4.384  10.236 -16.912
  754   2HD   ARG 120          1HD       ARG 120  -4.624   8.491 -16.966
  755    HE   ARG 120           HE       ARG 120  -5.695   8.840 -19.159
  756   1HH1  ARG 120          1HH1      ARG 120  -3.655  11.392 -17.906
  757   2HH1  ARG 120          2HH1      ARG 120  -3.189  11.975 -19.470
  758   1HH2  ARG 120          1HH2      ARG 120  -5.048   9.561 -21.221
  759   2HH2  ARG 120          2HH2      ARG 120  -3.957  10.911 -21.366
  760    H    HIS 121           H        HIS 121  -4.281   8.525 -13.044
  761    HA   HIS 121           HA       HIS 121  -5.979   8.293 -10.712
  762   1HB   HIS 121          2HB       HIS 121  -3.570   6.811 -11.729
  763   2HB   HIS 121          1HB       HIS 121  -4.151   6.560 -10.088
  764    HD1  HIS 121           1HD      HIS 121  -5.507   6.331 -13.660
  765    HD2  HIS 121           2HD      HIS 121  -6.064   4.674  -9.890
  766    HE1  HIS 121           1HE      HIS 121  -7.167   4.481 -13.977
  767    HE2  HIS 121           2HE      HIS 121  -7.269   3.327 -11.738
  768    H    ARG 122           H        ARG 122  -3.375  10.165 -11.633
  769    HA   ARG 122           HA       ARG 122  -2.405  10.569  -8.893
  770   1HB   ARG 122          2HB       ARG 122  -0.879  10.134 -10.956
  771   2HB   ARG 122          1HB       ARG 122  -1.245  11.799 -11.381
  772   1HG   ARG 122          2HG       ARG 122  -0.487  12.246  -8.903
  773   2HG   ARG 122          1HG       ARG 122   0.377  10.725  -9.141
  774   1HD   ARG 122          2HD       ARG 122   0.588  13.222 -10.804
  775   2HD   ARG 122          1HD       ARG 122   1.820  12.560  -9.731
  776    HE   ARG 122           HE       ARG 122   0.914  11.220 -12.198
  777   1HH1  ARG 122          1HH1      ARG 122   3.420  12.084  -9.927
  778   2HH1  ARG 122          2HH1      ARG 122   4.705  11.424 -10.887
  779   1HH2  ARG 122          1HH2      ARG 122   2.597  10.343 -13.473
  780   2HH2  ARG 122          2HH2      ARG 122   4.231  10.447 -12.911
  781    H    LEU 123           H        LEU 123  -4.974  11.446  -9.835
  782    HA   LEU 123           HA       LEU 123  -5.125  13.903 -11.065
  783   1HB   LEU 123          2HB       LEU 123  -7.405  14.035 -10.361
  784   2HB   LEU 123          1HB       LEU 123  -7.031  12.369 -10.747
  785    HG   LEU 123           HG       LEU 123  -7.093  13.428  -7.916
  786   1HD1  LEU 123          1HD1      LEU 123  -9.316  12.410  -7.755
  787   2HD1  LEU 123          2HD1      LEU 123  -9.275  12.057  -9.483
  788   3HD1  LEU 123          3HD1      LEU 123  -9.283  13.729  -8.924
  789   1HD2  LEU 123          1HD2      LEU 123  -7.331  11.065  -7.331
  790   2HD2  LEU 123          2HD2      LEU 123  -5.834  11.356  -8.214
  791   3HD2  LEU 123          3HD2      LEU 123  -7.213  10.624  -9.034
  792    H    GLU 124           H        GLU 124  -4.908  13.273  -7.617
  793    HA   GLU 124           HA       GLU 124  -5.351  15.748  -6.533
  794   1HB   GLU 124          2HB       GLU 124  -3.150  13.905  -5.633
  795   2HB   GLU 124          1HB       GLU 124  -4.102  15.001  -4.644
  796   1HG   GLU 124          2HG       GLU 124  -5.109  12.511  -6.012
  797   2HG   GLU 124          1HG       GLU 124  -4.757  12.683  -4.297