*HEADER   CALCIUM-BINDING                         24-JUL-97   1AP4    
*TITLE    REGULATORY DOMAIN OF HUMAN CARDIAC TROPONIN C IN THE        
*TITLE   2 CALCIUM-SATURATED STATE, NMR, 40 STRUCTURES                
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CARDIAC N-TROPONIN C;                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: REGULATORY;                                      
*COMPND  5 SYNONYM: CNTNC;                                            
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 TISSUE: CARDIAC MUSCLE;                                    
*SOURCE  5 PLASMID: PET3D;                                            
*SOURCE  6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS;                
*SOURCE  8 EXPRESSION_SYSTEM_PLASMID: PET3D                           
*KEYWDS   CALCIUM-BINDING, REGULATION, TROPONIN C, CARDIAC MUSCLE     
*KEYWDS  2 CONTRACTION                                                
*EXPDTA   NMR, 40 STRUCTURES                                          
*AUTHOR   M.X.LI,L.SPYRACOPOULOS,S.K.SIA,S.M.GAGNE,M.CHANDRA,         
*AUTHOR  2 R.J.SOLARO,B.D.SYKES                                       
*REVDAT  1   15-JUL-98 1AP4    0                                      
 
!
!  PHI DIHEDRAL RESTRAINTS
!
assign (resid   5 and name    C) (resid   6 and name    N)
       (resid   6 and name   CA) (resid   6 and name    C)  1.0  -62.5   20.0 2
assign (resid   7 and name    C) (resid   8 and name    N)
       (resid   8 and name   CA) (resid   8 and name    C)  1.0  -66.0   20.0 2
assign (resid   8 and name    C) (resid   9 and name    N)
       (resid   9 and name   CA) (resid   9 and name    C)  1.0  -66.0   20.0 2
assign (resid   9 and name    C) (resid  10 and name    N)
       (resid  10 and name   CA) (resid  10 and name    C)  1.0  -63.5   20.0 2
assign (resid  13 and name    C) (resid  14 and name    N)
       (resid  14 and name   CA) (resid  14 and name    C)  1.0  -51.0   20.0 2
assign (resid  14 and name    C) (resid  15 and name    N)
       (resid  15 and name   CA) (resid  15 and name    C)  1.0  -61.5   20.0 2
assign (resid  15 and name    C) (resid  16 and name    N)
       (resid  16 and name   CA) (resid  16 and name    C)  1.0  -66.0   20.0 2
assign (resid  16 and name    C) (resid  17 and name    N)
       (resid  17 and name   CA) (resid  17 and name    C)  1.0  -59.5   20.0 2
assign (resid  17 and name    C) (resid  18 and name    N)
       (resid  18 and name   CA) (resid  18 and name    C)  1.0  -61.5   20.0 2
assign (resid  18 and name    C) (resid  19 and name    N)
       (resid  19 and name   CA) (resid  19 and name    C)  1.0  -68.0   20.0 2
assign (resid  19 and name    C) (resid  20 and name    N)
       (resid  20 and name   CA) (resid  20 and name    C)  1.0  -63.5   20.0 2
assign (resid  20 and name    C) (resid  21 and name    N)
       (resid  21 and name   CA) (resid  21 and name    C)  1.0  -56.5   20.0 2
assign (resid  22 and name    C) (resid  23 and name    N)
       (resid  23 and name   CA) (resid  23 and name    C)  1.0  -70.5   20.0 2
assign (resid  23 and name    C) (resid  24 and name    N)
       (resid  24 and name   CA) (resid  24 and name    C)  1.0  -45.5   20.0 2
assign (resid  24 and name    C) (resid  25 and name    N)
       (resid  25 and name   CA) (resid  25 and name    C)  1.0  -51.0   20.0 2
assign (resid  25 and name    C) (resid  26 and name    N)
       (resid  26 and name   CA) (resid  26 and name    C)  1.0  -75.0   20.0 2
assign (resid  26 and name    C) (resid  27 and name    N)
       (resid  27 and name   CA) (resid  27 and name    C)  1.0  -71.5   20.0 2
assign (resid  28 and name    C) (resid  29 and name    N)
       (resid  29 and name   CA) (resid  29 and name    C)  1.0  -60.5   20.0 2
assign (resid  32 and name    C) (resid  33 and name    N)
       (resid  33 and name   CA) (resid  33 and name    C)  1.0 -120.0   33.0 2
assign (resid  34 and name    C) (resid  35 and name    N)
       (resid  35 and name   CA) (resid  35 and name    C)  1.0 -120.0   33.0 2
assign (resid  37 and name    C) (resid  38 and name    N)
       (resid  38 and name   CA) (resid  38 and name    C)  1.0  -65.0   20.0 2
assign (resid  38 and name    C) (resid  39 and name    N)
       (resid  39 and name   CA) (resid  39 and name    C)  1.0  -63.5   20.0 2
assign (resid  39 and name    C) (resid  40 and name    N)
       (resid  40 and name   CA) (resid  40 and name    C)  1.0  -88.0   20.0 2
assign (resid  42 and name    C) (resid  43 and name    N)
       (resid  43 and name   CA) (resid  43 and name    C)  1.0  -68.0   20.0 2
assign (resid  43 and name    C) (resid  44 and name    N)
       (resid  44 and name   CA) (resid  44 and name    C)  1.0  -62.5   20.0 2
assign (resid  44 and name    C) (resid  45 and name    N)
       (resid  45 and name   CA) (resid  45 and name    C)  1.0  -57.0   20.0 2
assign (resid  45 and name    C) (resid  46 and name    N)
       (resid  46 and name   CA) (resid  46 and name    C)  1.0  -62.5   20.0 2
assign (resid  46 and name    C) (resid  47 and name    N)
       (resid  47 and name   CA) (resid  47 and name    C)  1.0  -63.5   20.0 2
assign (resid  49 and name    C) (resid  50 and name    N)
       (resid  50 and name   CA) (resid  50 and name    C)  1.0 -120.0   31.0 2
assign (resid  50 and name    C) (resid  51 and name    N)
       (resid  51 and name   CA) (resid  51 and name    C)  1.0 -120.0   31.0 2
assign (resid  54 and name    C) (resid  55 and name    N)
       (resid  55 and name   CA) (resid  55 and name    C)  1.0  -63.5   20.0 2
assign (resid  55 and name    C) (resid  56 and name    N)
       (resid  56 and name   CA) (resid  56 and name    C)  1.0  -69.0   20.0 2
assign (resid  56 and name    C) (resid  57 and name    N)
       (resid  57 and name   CA) (resid  57 and name    C)  1.0  -59.5   20.0 2
assign (resid  57 and name    C) (resid  58 and name    N)
       (resid  58 and name   CA) (resid  58 and name    C)  1.0  -61.5   20.0 2
assign (resid  58 and name    C) (resid  59 and name    N)
       (resid  59 and name   CA) (resid  59 and name    C)  1.0  -62.5   20.0 2
assign (resid  59 and name    C) (resid  60 and name    N)
       (resid  60 and name   CA) (resid  60 and name    C)  1.0  -62.5   20.0 2
assign (resid  70 and name    C) (resid  71 and name    N)
       (resid  71 and name   CA) (resid  71 and name    C)  1.0 -120.0   31.0 2
assign (resid  71 and name    C) (resid  72 and name    N)
       (resid  72 and name   CA) (resid  72 and name    C)  1.0 -120.0   33.0 2
assign (resid  72 and name    C) (resid  73 and name    N)
       (resid  73 and name   CA) (resid  73 and name    C)  1.0 -120.0   31.0 2
assign (resid  74 and name    C) (resid  75 and name    N)
       (resid  75 and name   CA) (resid  75 and name    C)  1.0  -70.5   20.0 2
assign (resid  75 and name    C) (resid  76 and name    N)
       (resid  76 and name   CA) (resid  76 and name    C)  1.0  -69.0   20.0 2
assign (resid  76 and name    C) (resid  77 and name    N)
       (resid  77 and name   CA) (resid  77 and name    C)  1.0  -50.0   20.0 2
assign (resid  77 and name    C) (resid  78 and name    N)
       (resid  78 and name   CA) (resid  78 and name    C)  1.0  -54.5   20.0 2
assign (resid  78 and name    C) (resid  79 and name    N)
       (resid  79 and name   CA) (resid  79 and name    C)  1.0  -68.0   20.0 2
assign (resid  80 and name    C) (resid  81 and name    N)
       (resid  81 and name   CA) (resid  81 and name    C)  1.0  -61.5   20.0 2
assign (resid  81 and name    C) (resid  82 and name    N)
       (resid  82 and name   CA) (resid  82 and name    C)  1.0  -69.0   20.0 2
!
!  PSI DIHEDRAL RESTRAINTS
!
assign (resid   2 and name    N) (resid   2 and name   CA)
       (resid   2 and name    C) (resid   3 and name    N)  1.0  120.0  100.0 2
assign (resid   9 and name    N) (resid   9 and name   CA)
       (resid   9 and name    C) (resid  10 and name    N)  1.0  -30.0  110.0 2
assign (resid  10 and name    N) (resid  10 and name   CA)
       (resid  10 and name    C) (resid  11 and name    N)  1.0  -30.0  110.0 2
assign (resid  11 and name    N) (resid  11 and name   CA)
       (resid  11 and name    C) (resid  12 and name    N)  1.0  -30.0  110.0 2
assign (resid  13 and name    N) (resid  13 and name   CA)
       (resid  13 and name    C) (resid  14 and name    N)  1.0  120.0  100.0 2
assign (resid  14 and name    N) (resid  14 and name   CA)
       (resid  14 and name    C) (resid  15 and name    N)  1.0  -30.0  110.0 2
assign (resid  15 and name    N) (resid  15 and name   CA)
       (resid  15 and name    C) (resid  16 and name    N)  1.0  -30.0  110.0 2
assign (resid  18 and name    N) (resid  18 and name   CA)
       (resid  18 and name    C) (resid  19 and name    N)  1.0  -30.0  110.0 2
assign (resid  19 and name    N) (resid  19 and name   CA)
       (resid  19 and name    C) (resid  20 and name    N)  1.0  -30.0  110.0 2
assign (resid  20 and name    N) (resid  20 and name   CA)
       (resid  20 and name    C) (resid  21 and name    N)  1.0  -30.0  110.0 2
assign (resid  24 and name    N) (resid  24 and name   CA)
       (resid  24 and name    C) (resid  25 and name    N)  1.0  -30.0  110.0 2
assign (resid  25 and name    N) (resid  25 and name   CA)
       (resid  25 and name    C) (resid  26 and name    N)  1.0  -30.0  110.0 2
assign (resid  26 and name    N) (resid  26 and name   CA)
       (resid  26 and name    C) (resid  27 and name    N)  1.0  -30.0  110.0 2
assign (resid  27 and name    N) (resid  27 and name   CA)
       (resid  27 and name    C) (resid  28 and name    N)  1.0  -30.0  110.0 2
assign (resid  31 and name    N) (resid  31 and name   CA)
       (resid  31 and name    C) (resid  32 and name    N)  1.0  120.0  100.0 2
assign (resid  32 and name    N) (resid  32 and name   CA)
       (resid  32 and name    C) (resid  33 and name    N)  1.0  -30.0  110.0 2
assign (resid  35 and name    N) (resid  35 and name   CA)
       (resid  35 and name    C) (resid  36 and name    N)  1.0  120.0  100.0 2
assign (resid  36 and name    N) (resid  36 and name   CA)
       (resid  36 and name    C) (resid  37 and name    N)  1.0  120.0  100.0 2
assign (resid  38 and name    N) (resid  38 and name   CA)
       (resid  38 and name    C) (resid  39 and name    N)  1.0  -30.0  110.0 2
assign (resid  39 and name    N) (resid  39 and name   CA)
       (resid  39 and name    C) (resid  40 and name    N)  1.0  -30.0  110.0 2
assign (resid  43 and name    N) (resid  43 and name   CA)
       (resid  43 and name    C) (resid  44 and name    N)  1.0  -30.0  110.0 2
assign (resid  44 and name    N) (resid  44 and name   CA)
       (resid  44 and name    C) (resid  45 and name    N)  1.0  -30.0  110.0 2
assign (resid  45 and name    N) (resid  45 and name   CA)
       (resid  45 and name    C) (resid  46 and name    N)  1.0  -30.0  110.0 2
assign (resid  46 and name    N) (resid  46 and name   CA)
       (resid  46 and name    C) (resid  47 and name    N)  1.0  -30.0  110.0 2
assign (resid  47 and name    N) (resid  47 and name   CA)
       (resid  47 and name    C) (resid  48 and name    N)  1.0  -30.0  110.0 2
assign (resid  50 and name    N) (resid  50 and name   CA)
       (resid  50 and name    C) (resid  51 and name    N)  1.0  120.0  100.0 2
assign (resid  52 and name    N) (resid  52 and name   CA)
       (resid  52 and name    C) (resid  53 and name    N)  1.0  120.0  100.0 2
assign (resid  58 and name    N) (resid  58 and name   CA)
       (resid  58 and name    C) (resid  59 and name    N)  1.0  -30.0  110.0 2
assign (resid  61 and name    N) (resid  61 and name   CA)
       (resid  61 and name    C) (resid  62 and name    N)  1.0  -30.0  110.0 2
assign (resid  62 and name    N) (resid  62 and name   CA)
       (resid  62 and name    C) (resid  63 and name    N)  1.0  -30.0  110.0 2
assign (resid  64 and name    N) (resid  64 and name   CA)
       (resid  64 and name    C) (resid  65 and name    N)  1.0  -30.0  110.0 2
assign (resid  65 and name    N) (resid  65 and name   CA)
       (resid  65 and name    C) (resid  66 and name    N)  1.0  120.0  100.0 2
assign (resid  66 and name    N) (resid  66 and name   CA)
       (resid  66 and name    C) (resid  67 and name    N)  1.0  -30.0  110.0 2
assign (resid  71 and name    N) (resid  71 and name   CA)
       (resid  71 and name    C) (resid  72 and name    N)  1.0  120.0  100.0 2
assign (resid  78 and name    N) (resid  78 and name   CA)
       (resid  78 and name    C) (resid  79 and name    N)  1.0  -30.0  110.0 2
assign (resid  79 and name    N) (resid  79 and name   CA)
       (resid  79 and name    C) (resid  80 and name    N)  1.0  -30.0  110.0 2
assign (resid  80 and name    N) (resid  80 and name   CA)
       (resid  80 and name    C) (resid  81 and name    N)  1.0  -30.0  110.0 2
assign (resid  81 and name    N) (resid  81 and name   CA)
       (resid  81 and name    C) (resid  82 and name    N)  1.0  -30.0  110.0 2
assign (resid  83 and name    N) (resid  83 and name   CA)
       (resid  83 and name    C) (resid  84 and name    N)  1.0  -30.0  110.0 2
!
!  CHI_1 DIHEDRAL RESTRAINTS
!
assign (resid   5 and name    N) (resid   5 and name   CA)
       (resid   5 and name   CB) (resid   5 and name   CG)  1.0  -60.0   60.0 2
assign (resid   9 and name    N) (resid   9 and name   CA)
       (resid   9 and name   CB) (resid   9 and name  CG1)  1.0  180.0   60.0 2
assign (resid  11 and name    N) (resid  11 and name   CA)
       (resid  11 and name   CB) (resid  11 and name   CG)  1.0  -60.0   60.0 2
assign (resid  12 and name    N) (resid  12 and name   CA)
       (resid  12 and name   CB) (resid  12 and name   CG)  1.0  -60.0   60.0 2
assign (resid  13 and name    N) (resid  13 and name   CA)
       (resid  13 and name   CB) (resid  13 and name  OG1)  1.0   60.0   60.0 2
assign (resid  15 and name    N) (resid  15 and name   CA)
       (resid  15 and name   CB) (resid  15 and name   CG)  1.0   60.0   60.0 2
assign (resid  18 and name    N) (resid  18 and name   CA)
       (resid  18 and name   CB) (resid  18 and name   CG)  1.0  -60.0   60.0 2
assign (resid  24 and name    N) (resid  24 and name   CA)
       (resid  24 and name   CB) (resid  24 and name   CG)  1.0  180.0   60.0 2
assign (resid  25 and name    N) (resid  25 and name   CA)
       (resid  25 and name   CB) (resid  25 and name   CG)  1.0  -60.0   60.0 2
assign (resid  26 and name    N) (resid  26 and name   CA)
       (resid  26 and name   CB) (resid  26 and name  CG1)  1.0  -60.0   60.0 2
assign (resid  27 and name    N) (resid  27 and name   CA)
       (resid  27 and name   CB) (resid  27 and name   CG)  1.0  -60.0   60.0 2
assign (resid  33 and name    N) (resid  33 and name   CA)
       (resid  33 and name   CB) (resid  33 and name   CG)  1.0   60.0   60.0 2
assign (resid  35 and name    N) (resid  35 and name   CA)
       (resid  35 and name   CB) (resid  35 and name   CG)  1.0  -60.0   60.0 2
assign (resid  44 and name    N) (resid  44 and name   CA)
       (resid  44 and name   CB) (resid  44 and name  CG1)  1.0  180.0   60.0 2
assign (resid  50 and name    N) (resid  50 and name   CA)
       (resid  50 and name   CB) (resid  50 and name   CG)  1.0  -60.0   60.0 2
assign (resid  56 and name    N) (resid  56 and name   CA)
       (resid  56 and name   CB) (resid  56 and name   CG)  1.0  -60.0   60.0 2
assign (resid  72 and name    N) (resid  72 and name   CA)
       (resid  72 and name   CB) (resid  72 and name  CG1)  1.0  180.0   60.0 2
assign (resid  74 and name    N) (resid  74 and name   CA)
       (resid  74 and name   CB) (resid  74 and name   CG)  1.0  180.0   60.0 2
assign (resid  77 and name    N) (resid  77 and name   CA)
       (resid  77 and name   CB) (resid  77 and name   CG)  1.0  180.0   60.0 2
assign (resid  78 and name    N) (resid  78 and name   CA)
       (resid  78 and name   CB) (resid  78 and name   CG)  1.0  -60.0   60.0 2
assign (resid  79 and name    N) (resid  79 and name   CA)
       (resid  79 and name   CB) (resid  79 and name  CG1)  1.0  180.0   60.0 2
assign (resid  81 and name    N) (resid  81 and name   CA)
       (resid  81 and name   CB) (resid  81 and name   CG)  1.0  -60.0   60.0 2
assign (resid  82 and name    N) (resid  82 and name   CA)
       (resid  82 and name   CB) (resid  82 and name  CG1)  1.0   60.0   60.0 2
assign (resid  83 and name    N) (resid  83 and name   CA)
       (resid  83 and name   CB) (resid  83 and name   CG)  1.0  -60.0   60.0 2
!
! NOE RESTRAINTS
!
class intra
assign (resid   3 and name   HN) (resid   3 and name  HB*)  2.95  1.25  1.25
assign (resid   3 and name   HN) (resid   3 and name   HA)  2.89  1.19  1.19
assign (resid   4 and name   HN) (resid   4 and name HD1*)  3.80  2.10  2.10
assign (resid   4 and name   HN) (resid   4 and name   HA)  2.75  1.05  1.04
assign (resid   4 and name   HN) (resid   4 and name   HB)  2.71  1.01  1.02
assign (resid   5 and name   HN) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid   5 and name   HN) (resid   5 and name  HB1)  2.83  1.14  1.14
assign (resid   5 and name   HN) (resid   5 and name  HD*)  3.43  1.73  1.73
assign (resid   5 and name   HN) (resid   5 and name  HB2)  2.64  0.94  0.94
assign (resid   6 and name   HN) (resid   6 and name  HD*)  3.66  1.96  1.96
assign (resid   6 and name   HN) (resid   6 and name  HG*)  2.78  1.08  1.08
assign (resid   6 and name   HN) (resid   6 and name   HA)  2.71  1.01  1.00
assign (resid   6 and name   HN) (resid   6 and name  HB*)  2.82  1.12  1.12
assign (resid   7 and name   HN) (resid   7 and name   HA)  2.70  1.00  1.00
assign (resid   8 and name   HN) (resid   8 and name  HB*)  2.62  0.93  0.92
assign (resid   9 and name   HN) (resid   9 and name   HA)  2.75  1.05  1.06
assign (resid   9 and name   HN) (resid   9 and name   HB)  2.40  0.70  0.70
assign (resid  10 and name   HN) (resid  10 and name  HG*)  2.97  1.27  1.27
assign (resid  10 and name   HN) (resid  10 and name   HA)  2.69  0.99  0.99
assign (resid  10 and name   HN) (resid  10 and name  HB*)  2.76  1.06  1.06
assign (resid  11 and name   HN) (resid  11 and name  HB2)  2.46  0.76  0.76
assign (resid  11 and name   HN) (resid  11 and name   HA)  2.62  0.92  0.92
assign (resid  11 and name   HN) (resid  11 and name  HG*)  2.91  1.21  1.21
assign (resid  12 and name   HN) (resid  12 and name   HG)  2.38  0.68  0.67
assign (resid  12 and name   HN) (resid  12 and name  HD*)  2.91  1.21  1.21
assign (resid  12 and name   HN) (resid  12 and name  HB2)  2.42  0.72  0.73
assign (resid  12 and name   HN) (resid  12 and name   HA)  2.70  1.00  1.00
assign (resid  12 and name   HN) (resid  12 and name  HB1)  2.71  1.01  1.02
assign (resid  13 and name   HN) (resid  13 and name   HB)  3.60  1.90  1.90
assign (resid  14 and name   HN) (resid  14 and name  HB*)  2.83  1.13  1.13
assign (resid  14 and name   HN) (resid  14 and name   HA)  2.73  1.03  1.03
assign (resid  14 and name   HN) (resid  14 and name  HG*)  3.35  1.66  1.65
assign (resid  15 and name   HN) (resid  15 and name   HA)  2.71  1.01  1.02
assign (resid  15 and name   HN) (resid  15 and name  HB2)  2.77  1.07  1.08
assign (resid  15 and name   HN) (resid  15 and name  HG*)  3.15  1.45  1.44
assign (resid  16 and name   HN) (resid  16 and name  HB*)  3.29  1.59  1.58
assign (resid  16 and name   HN) (resid  16 and name   HA)  2.77  1.07  1.07
assign (resid  17 and name   HN) (resid  17 and name  HG*)  2.97  1.27  1.27
assign (resid  17 and name   HN) (resid  17 and name  HD*)  2.64  0.94  0.94
assign (resid  17 and name   HN) (resid  17 and name  HB*)  2.50  0.80  0.81
assign (resid  18 and name   HN) (resid  18 and name HD22)  3.62  1.92  1.92
assign (resid  18 and name   HN) (resid  18 and name  HB2)  2.56  0.86  0.86
assign (resid  18 and name   HN) (resid  18 and name   HA)  2.69  0.99  0.98
assign (resid  18 and name   HN) (resid  18 and name  HB1)  2.71  1.01  1.00
assign (resid  19 and name   HN) (resid  19 and name  HB*)  2.77  1.07  1.07
assign (resid  19 and name   HN) (resid  19 and name  HG*)  3.02  1.32  1.31
assign (resid  19 and name   HN) (resid  19 and name   HA)  2.62  0.92  0.92
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assign (resid  20 and name   HN) (resid  20 and name  HD*)  3.48  1.78  1.77
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assign (resid  21 and name   HN) (resid  21 and name   HA)  2.69  0.99  0.98
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assign (resid  23 and name   HN) (resid  23 and name  HB*)  2.56  0.86  0.86
assign (resid  24 and name   HN) (resid  24 and name  HB1)  2.64  0.94  0.94
assign (resid  24 and name   HN) (resid  24 and name  HD*)  3.45  1.75  1.75
assign (resid  24 and name   HN) (resid  24 and name   HA)  2.76  1.06  1.06
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assign (resid  25 and name   HN) (resid  25 and name   HA)  2.67  0.97  0.98
assign (resid  25 and name   HN) (resid  25 and name  HB2)  2.56  0.86  0.85
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assign (resid  26 and name   HN) (resid  26 and name HG1*)  2.67  0.97  0.97
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assign (resid  26 and name   HN) (resid  26 and name   HB)  2.43  0.73  0.73
assign (resid  26 and name   HN) (resid  26 and name   HA)  2.60  0.90  0.90
assign (resid  26 and name   HN) (resid  26 and name HD1*)  3.21  1.51  1.50
assign (resid  27 and name   HN) (resid  27 and name   HA)  2.77  1.07  1.07
assign (resid  27 and name   HN) (resid  27 and name  HE*)  3.40  1.70  1.69
assign (resid  27 and name   HN) (resid  27 and name  HB2)  2.69  0.99  0.98
assign (resid  27 and name   HN) (resid  27 and name  HB1)  2.77  1.07  1.08
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assign (resid  28 and name   HN) (resid  28 and name   HA)  2.81  1.11  1.10
assign (resid  28 and name   HN) (resid  28 and name   HB)  2.58  0.88  0.88
assign (resid  28 and name   HN) (resid  28 and name HG2*)  2.62  0.92  0.92
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assign (resid  29 and name   HN) (resid  29 and name   HA)  2.62  0.92  0.92
assign (resid  30 and name   HN) (resid  30 and name  HA*)  2.67  0.97  0.98
assign (resid  31 and name   HN) (resid  31 and name  HB*)  2.54  0.84  0.83
assign (resid  31 and name   HN) (resid  31 and name   HA)  2.58  0.88  0.88
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assign (resid  32 and name   HN) (resid  32 and name  HB*)  2.62  0.93  0.92
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assign (resid  33 and name   HN) (resid  33 and name   HA)  2.61  0.91  0.91
assign (resid  33 and name   HN) (resid  33 and name  HB1)  2.98  1.28  1.28
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assign (resid  35 and name   HN) (resid  35 and name  HB2)  2.68  0.98  0.98
assign (resid  35 and name   HN) (resid  35 and name   HA)  2.63  0.93  0.94
assign (resid  35 and name   HN) (resid  35 and name  HB1)  2.98  1.28  1.28
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assign (resid  36 and name   HN) (resid  36 and name HG1*)  2.73  1.03  1.04
assign (resid  36 and name   HN) (resid  36 and name   HA)  2.63  0.93  0.93
assign (resid  36 and name   HN) (resid  36 and name HG2*)  3.60  1.90  1.90
assign (resid  37 and name   HN) (resid  37 and name   HA)  2.65  0.95  0.94
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assign (resid  41 and name   HN) (resid  41 and name   HA)  2.65  0.95  0.96
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assign (resid  43 and name   HN) (resid  43 and name  HG*)  2.73  1.03  1.04
assign (resid  43 and name   HN) (resid  43 and name   HA)  2.75  1.05  1.06
assign (resid  43 and name   HN) (resid  43 and name  HD*)  3.63  1.93  1.93
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assign (resid  44 and name   HN) (resid  44 and name   HA)  2.66  0.96  0.96
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assign (resid  45 and name   HN) (resid  45 and name   HA)  2.64  0.94  0.94
assign (resid  45 and name   HN) (resid  45 and name  HG*)  2.54  0.84  0.84
assign (resid  46 and name   HN) (resid  46 and name   HA)  2.62  0.92  0.92
assign (resid  46 and name   HN) (resid  46 and name  HG*)  2.83  1.13  1.12
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assign (resid  47 and name   HN) (resid  47 and name   HA)  2.77  1.07  1.08
assign (resid  47 and name   HN) (resid  47 and name  HG*)  2.69  0.99  0.99
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assign (resid  48 and name   HN) (resid  48 and name   HA)  2.73  1.03  1.02
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assign (resid  49 and name   HN) (resid  49 and name  HA*)  2.40  0.70  0.70
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assign (resid  50 and name   HN) (resid  50 and name  HB2)  2.58  0.88  0.88
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assign (resid  53 and name   HN) (resid  53 and name HG2*)  2.77  1.07  1.07
assign (resid  55 and name   HN) (resid  55 and name   HA)  2.78  1.08  1.08
assign (resid  56 and name   HN) (resid  56 and name  HB1)  2.60  0.91  0.90
assign (resid  57 and name   HN) (resid  57 and name  HD*)  3.85  2.15  2.15
assign (resid  57 and name   HN) (resid  57 and name  HB*)  3.17  1.47  1.46
assign (resid  58 and name   HN) (resid  58 and name  HB*)  2.88  1.18  1.17
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assign (resid  58 and name   HN) (resid  58 and name   HA)  2.80  1.10  1.10
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assign (resid  61 and name   HN) (resid  61 and name   HB)  3.35  1.65  1.65
assign (resid  61 and name   HN) (resid  61 and name HD1*)  3.85  2.15  2.15
assign (resid  61 and name   HN) (resid  61 and name HG1*)  3.56  1.86  1.86
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assign (resid  62 and name   HN) (resid  62 and name   HA)  2.65  0.95  0.96
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assign (resid  64 and name   HN) (resid  64 and name HG1*)  2.80  1.10  1.10
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assign (resid  65 and name   HN) (resid  65 and name  HB*)  2.52  0.82  0.83
assign (resid  66 and name   HN) (resid  66 and name  HG*)  3.48  1.78  1.77
assign (resid  66 and name   HN) (resid  66 and name   HA)  2.87  1.17  1.17
assign (resid  67 and name   HN) (resid  67 and name  HB*)  2.81  1.11  1.11
assign (resid  67 and name   HN) (resid  67 and name   HA)  2.62  0.93  0.92
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assign (resid  71 and name   HN) (resid  71 and name   HB)  3.08  1.38  1.38
assign (resid  71 and name   HN) (resid  71 and name HG2*)  3.48  1.78  1.77
assign (resid  72 and name   HN) (resid  72 and name   HA)  2.65  0.95  0.96
assign (resid  72 and name   HN) (resid  72 and name   HB)  2.48  0.78  0.79
assign (resid  72 and name   HN) (resid  72 and name HG2*)  2.92  1.22  1.22
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assign (resid  73 and name   HN) (resid  73 and name  HB*)  3.80  2.10  2.10
assign (resid  74 and name   HN) (resid  74 and name  HB1)  2.56  0.86  0.86
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assign (resid  74 and name   HN) (resid  74 and name  HD*)  3.85  2.15  2.15
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assign (resid  75 and name   HN) (resid  75 and name   HA)  2.73  1.03  1.03
assign (resid  76 and name   HN) (resid  76 and name  HB*)  3.65  1.95  1.94
assign (resid  76 and name   HN) (resid  76 and name  HG*)  2.54  0.84  0.85
assign (resid  77 and name   HN) (resid  77 and name  HB2)  2.50  0.80  0.81
assign (resid  77 and name   HN) (resid  77 and name  HB1)  2.56  0.86  0.86
assign (resid  77 and name   HN) (resid  77 and name   HA)  2.71  1.01  1.00
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assign (resid  78 and name   HN) (resid  78 and name  HB2)  2.64  0.94  0.94
assign (resid  79 and name   HN) (resid  79 and name   HA)  2.75  1.05  1.04
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assign (resid  79 and name   HN) (resid  79 and name HG1*)  3.62  1.92  1.92
assign (resid  80 and name   HN) (resid  80 and name  HB*)  2.57  0.87  0.87
assign (resid  80 and name   HN) (resid  80 and name   HA)  2.69  0.99  0.99
assign (resid  81 and name   HN) (resid  81 and name  HB1)  2.90  1.20  1.20
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assign (resid  81 and name   HN) (resid  81 and name   HA)  2.65  0.95  0.94
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assign (resid  82 and name   HN) (resid  82 and name   HB)  2.50  0.80  0.80
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assign (resid  83 and name   HN) (resid  83 and name  HB1)  2.81  1.11  1.12
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assign (resid  85 and name   HN) (resid  85 and name  HG*)  2.75  1.05  1.05
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assign (resid  89 and name   HN) (resid  89 and name   HA)  2.77  1.07  1.07
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assign (resid  22 and name   HA) (resid  22 and name   HN)  2.48  0.78  0.78
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assign (resid  35 and name   HA) (resid  35 and name  HB2)  2.77  1.07  1.08
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assign (resid   4 and name HG1*) (resid   4 and name   HN)  2.69  0.99  0.99
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assign (resid  61 and name   HB) (resid  61 and name HG2*)  2.54  0.84  0.85
assign (resid  61 and name HD1*) (resid  61 and name   HA)  3.85  2.15  2.15
assign (resid  61 and name HG2*) (resid  61 and name   HA)  2.69  0.99  0.99
assign (resid  17 and name   HA) (resid  17 and name  HB*)  2.96  1.26  1.26
assign (resid  17 and name   HA) (resid  17 and name  HD*)  3.45  1.75  1.75
assign (resid  17 and name   HA) (resid  17 and name  HG*)  3.17  1.47  1.46
assign (resid  17 and name  HE*) (resid  17 and name  HB*)  3.85  2.15  2.15
assign (resid  17 and name  HE*) (resid  17 and name  HG*)  3.85  2.15  2.15
assign (resid  21 and name   HA) (resid  21 and name  HB*)  2.72  1.02  1.02
assign (resid  21 and name   HA) (resid  21 and name  HD*)  3.23  1.53  1.52
assign (resid  21 and name  HB*) (resid  21 and name  HG*)  2.94  1.24  1.24
assign (resid  21 and name  HB*) (resid  21 and name  HD*)  2.61  0.91  0.92
assign (resid  21 and name  HD*) (resid  21 and name  HE*)  3.30  1.60  1.60
assign (resid  21 and name  HD*) (resid  21 and name  HG*)  2.98  1.28  1.28
assign (resid  21 and name  HE*) (resid  21 and name  HG*)  3.76  2.06  2.06
assign (resid  21 and name  HG*) (resid  21 and name   HA)  3.21  1.51  1.50
assign (resid  39 and name   HA) (resid  39 and name  HB*)  2.95  1.25  1.25
assign (resid  39 and name   HA) (resid  39 and name  HD*)  3.85  2.15  2.15
assign (resid  39 and name   HA) (resid  39 and name  HG*)  3.33  1.63  1.63
assign (resid  43 and name   HA) (resid  43 and name  HG*)  2.94  1.24  1.24
assign (resid  43 and name  HB*) (resid  43 and name  HG*)  2.62  0.93  0.92
assign (resid  43 and name  HD*) (resid  43 and name   HA)  3.85  2.15  2.15
assign (resid  43 and name  HD*) (resid  43 and name  HE*)  3.85  2.15  2.15
assign (resid  43 and name  HD*) (resid  43 and name  HG*)  2.56  0.86  0.86
assign (resid  43 and name  HG*) (resid  43 and name  HE*)  3.02  1.32  1.31
assign (resid   6 and name   HA) (resid   6 and name  HB*)  2.88  1.18  1.18
assign (resid   6 and name   HA) (resid   6 and name  HG*)  2.77  1.07  1.08
assign (resid   6 and name  HB*) (resid   6 and name  HE*)  3.85  2.15  2.15
assign (resid   6 and name  HB*) (resid   6 and name  HG*)  2.79  1.09  1.10
assign (resid   6 and name  HD*) (resid   6 and name   HA)  3.85  2.15  2.15
assign (resid   6 and name  HG*) (resid   6 and name  HD*)  2.30  0.60  0.60
assign (resid   6 and name  HG*) (resid   6 and name  HE*)  3.06  1.36  1.36
assign (resid  86 and name   HA) (resid  86 and name  HB*)  2.71  1.01  1.02
assign (resid  86 and name   HA) (resid  86 and name  HD*)  3.41  1.71  1.71
assign (resid  86 and name   HA) (resid  86 and name  HG*)  3.33  1.63  1.62
assign (resid  86 and name   HA) (resid  86 and name   HN)  2.70  1.00  1.00
assign (resid  86 and name  HB*) (resid  86 and name  HG*)  2.90  1.20  1.19
assign (resid  86 and name  HB*) (resid  86 and name   HN)  2.79  1.09  1.08
assign (resid  86 and name  HG*) (resid  86 and name   HN)  3.80  2.10  2.10
assign (resid  12 and name   HA) (resid  12 and name  HB1)  2.67  0.97  0.96
assign (resid  12 and name   HA) (resid  12 and name  HB2)  2.87  1.17  1.17
assign (resid  12 and name   HA) (resid  12 and name  HD*)  2.65  0.95  0.94
assign (resid  12 and name   HA) (resid  12 and name   HG)  3.09  1.39  1.39
assign (resid  12 and name  HB1) (resid  12 and name  HB2)  2.27  0.57  0.56
assign (resid  12 and name  HB1) (resid  12 and name  HD*)  2.86  1.16  1.16
assign (resid  12 and name  HB1) (resid  12 and name   HG)  2.83  1.13  1.13
assign (resid  12 and name  HB2) (resid  12 and name   HG)  2.73  1.03  1.02
assign (resid  12 and name HD2*) (resid  12 and name   HA)  2.79  1.09  1.09
assign (resid  12 and name HD2*) (resid  12 and name  HB1)  3.25  1.55  1.55
assign (resid  12 and name HD2*) (resid  12 and name  HB2)  3.52  1.82  1.82
assign (resid  12 and name HD2*) (resid  12 and name   HN)  3.35  1.65  1.65
assign (resid  12 and name   HG) (resid  12 and name  HD*)  2.76  1.06  1.06
assign (resid  29 and name   HA) (resid  29 and name  HB*)  2.67  0.97  0.97
assign (resid  29 and name   HA) (resid  29 and name HD2*)  3.08  1.38  1.38
assign (resid  29 and name  HB*) (resid  29 and name  HD*)  2.89  1.19  1.19
assign (resid  29 and name HD1*) (resid  29 and name   HA)  3.77  2.08  2.07
assign (resid  29 and name   HG) (resid  29 and name   HA)  3.64  1.94  1.94
assign (resid  29 and name   HG) (resid  29 and name   HN)  3.31  1.61  1.61
assign (resid  41 and name   HA) (resid  41 and name  HB*)  3.27  1.57  1.57
assign (resid  41 and name   HA) (resid  41 and name HD1*)  3.31  1.61  1.60
assign (resid  41 and name   HA) (resid  41 and name   HG)  3.27  1.57  1.57
assign (resid  48 and name   HA) (resid  48 and name  HB*)  2.69  0.99  0.98
assign (resid  48 and name   HA) (resid  48 and name HD2*)  3.00  1.30  1.30
assign (resid  48 and name   HA) (resid  48 and name   HG)  2.71  1.01  1.02
assign (resid  48 and name  HB*) (resid  48 and name HD1*)  3.18  1.48  1.48
assign (resid  48 and name  HB*) (resid  48 and name HD2*)  3.44  1.74  1.73
assign (resid  48 and name  HB*) (resid  48 and name   HN)  2.69  0.99  0.98
assign (resid  48 and name HD1*) (resid  48 and name   HA)  3.83  2.13  2.13
assign (resid  48 and name   HG) (resid  48 and name HD2*)  2.48  0.78  0.79
assign (resid  48 and name   HG) (resid  48 and name   HN)  2.63  0.93  0.93
assign (resid  57 and name   HA) (resid  57 and name  HD*)  2.81  1.11  1.12
assign (resid  57 and name   HA) (resid  57 and name   HN)  3.47  1.77  1.77
assign (resid  78 and name   HA) (resid  78 and name  HB2)  2.79  1.09  1.09
assign (resid  78 and name   HA) (resid  78 and name HD1*)  3.55  1.85  1.85
assign (resid  78 and name   HA) (resid  78 and name HD2*)  2.91  1.21  1.21
assign (resid  78 and name  HB1) (resid  78 and name   HA)  2.67  0.97  0.98
assign (resid  78 and name  HB1) (resid  78 and name  HB2)  2.33  0.63  0.62
assign (resid  78 and name  HB1) (resid  78 and name HD1*)  3.01  1.31  1.31
assign (resid  78 and name  HB1) (resid  78 and name HD2*)  3.00  1.30  1.29
assign (resid  78 and name  HB1) (resid  78 and name   HN)  2.81  1.11  1.11
assign (resid  78 and name HD1*) (resid  78 and name  HB2)  3.21  1.51  1.51
assign (resid  78 and name HD1*) (resid  78 and name   HN)  3.85  2.15  2.15
assign (resid  78 and name HD2*) (resid  78 and name  HB2)  3.85  2.15  2.15
assign (resid  78 and name   HG) (resid  78 and name   HA)  3.20  1.50  1.50
assign (resid  78 and name   HG) (resid  78 and name  HB2)  2.87  1.17  1.17
assign (resid  78 and name   HG) (resid  78 and name HD1*)  2.42  0.72  0.72
assign (resid  78 and name   HG) (resid  78 and name   HN)  3.02  1.32  1.31
assign (resid   1 and name  HB*) (resid   1 and name   HA)  3.17  1.47  1.47
assign (resid  45 and name   HA) (resid  45 and name  HB*)  2.72  1.02  1.02
assign (resid  45 and name  HE*) (resid  45 and name  HG*)  3.66  1.96  1.96
assign (resid  45 and name  HG*) (resid  45 and name   HA)  2.75  1.05  1.04
assign (resid  45 and name  HG*) (resid  45 and name  HB*)  2.75  1.05  1.06
assign (resid  47 and name   HA) (resid  47 and name  HB*)  3.22  1.52  1.52
assign (resid  47 and name   HA) (resid  47 and name  HG*)  2.81  1.11  1.11
assign (resid  47 and name  HB*) (resid  47 and name  HG*)  2.53  0.83  0.83
assign (resid  47 and name  HE*) (resid  47 and name   HA)  3.85  2.15  2.15
assign (resid  47 and name  HG*) (resid  47 and name  HE*)  3.21  1.51  1.50
assign (resid  60 and name  HE*) (resid  60 and name   HA)  3.27  1.57  1.57
assign (resid  60 and name  HE*) (resid  60 and name  HG*)  3.39  1.69  1.69
assign (resid  60 and name  HG*) (resid  60 and name   HA)  3.28  1.58  1.58
assign (resid  80 and name   HA) (resid  80 and name  HB*)  2.73  1.03  1.02
assign (resid  80 and name   HA) (resid  80 and name  HG*)  2.94  1.24  1.23
assign (resid  80 and name  HE*) (resid  80 and name   HN)  3.85  2.15  2.15
assign (resid  80 and name  HG*) (resid  80 and name   HN)  3.38  1.68  1.67
assign (resid  81 and name   HA) (resid  81 and name  HB1)  2.68  0.98  0.98
assign (resid  81 and name   HA) (resid  81 and name  HG*)  3.10  1.40  1.40
assign (resid  81 and name  HB1) (resid  81 and name  HG*)  2.69  0.99  0.98
assign (resid  81 and name  HB2) (resid  81 and name   HA)  3.17  1.47  1.47
assign (resid  81 and name  HB2) (resid  81 and name  HB1)  2.63  0.93  0.94
assign (resid  81 and name  HB2) (resid  81 and name  HG*)  2.77  1.07  1.08
assign (resid  81 and name  HE*) (resid  81 and name   HA)  3.47  1.77  1.77
assign (resid  81 and name  HE*) (resid  81 and name  HB1)  3.65  1.95  1.95
assign (resid  81 and name  HE*) (resid  81 and name  HG*)  3.85  2.15  2.15
assign (resid  81 and name  HE*) (resid  81 and name   HN)  3.73  2.04  2.03
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assign (resid  85 and name  HB*) (resid  85 and name  HG*)  3.44  1.74  1.74
assign (resid  85 and name  HE*) (resid  85 and name   HA)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  85 and name  HG*)  3.82  2.12  2.12
assign (resid  18 and name   HA) (resid  18 and name  HB1)  2.65  0.95  0.96
assign (resid  18 and name   HA) (resid  18 and name  HB2)  2.72  1.02  1.02
assign (resid  18 and name  HB1) (resid  18 and name  HB2)  2.18  0.48  0.48
assign (resid  18 and name  HB1) (resid  18 and name HD21)  3.17  1.47  1.47
assign (resid  18 and name  HB1) (resid  18 and name HD22)  3.04  1.34  1.34
assign (resid  18 and name  HB2) (resid  18 and name HD21)  3.15  1.45  1.44
assign (resid  18 and name  HB2) (resid  18 and name HD22)  2.91  1.21  1.21
assign (resid  51 and name   HA) (resid  51 and name  HB*)  2.69  0.99  1.00
assign (resid  51 and name  HB*) (resid  51 and name HD21)  3.43  1.73  1.73
assign (resid  51 and name  HB*) (resid  51 and name HD22)  3.10  1.40  1.40
assign (resid  52 and name  HB*) (resid  52 and name   HA)  2.75  1.05  1.06
assign (resid  52 and name  HB*) (resid  52 and name  HD*)  3.08  1.38  1.38
assign (resid  52 and name  HD*) (resid  52 and name  HG*)  2.93  1.23  1.23
assign (resid  52 and name  HG*) (resid  52 and name   HA)  3.17  1.47  1.47
assign (resid  52 and name  HG*) (resid  52 and name  HB*)  2.71  1.01  1.02
assign (resid  54 and name   HA) (resid  54 and name  HB*)  2.79  1.09  1.09
assign (resid  54 and name   HA) (resid  54 and name  HD*)  3.82  2.12  2.12
assign (resid  54 and name   HA) (resid  54 and name  HG*)  3.14  1.44  1.44
assign (resid  54 and name  HB*) (resid  54 and name  HD*)  3.58  1.88  1.88
assign (resid  54 and name  HB*) (resid  54 and name  HG*)  2.71  1.01  1.02
assign (resid  54 and name  HD*) (resid  54 and name  HG*)  3.04  1.34  1.34
assign (resid  11 and name   HA) (resid  11 and name  HB2)  2.79  1.09  1.09
assign (resid  11 and name   HA) (resid  11 and name  HB1)  2.66  0.96  0.96
assign (resid  11 and name   HA) (resid  11 and name  HG*)  3.09  1.39  1.39
assign (resid  11 and name  HB1) (resid  11 and name  HB2)  2.23  0.53  0.54
assign (resid  11 and name  HB1) (resid  11 and name  HG*)  2.58  0.88  0.88
assign (resid  11 and name  HG*) (resid  11 and name  HB2)  2.98  1.28  1.28
assign (resid  11 and name  HG*) (resid  11 and name HE22)  3.85  2.15  2.15
assign (resid  16 and name   HA) (resid  16 and name  HB*)  3.33  1.63  1.62
assign (resid  16 and name  HG*) (resid  16 and name   HN)  3.40  1.70  1.69
assign (resid  16 and name  HG*) (resid  16 and name   HA)  3.29  1.59  1.59
assign (resid  16 and name  HG*) (resid  16 and name  HB*)  3.65  1.95  1.94
assign (resid  16 and name  HG*) (resid  16 and name HE21)  3.58  1.89  1.88
assign (resid  50 and name   HA) (resid  50 and name  HB2)  2.81  1.11  1.10
assign (resid  50 and name  HB1) (resid  50 and name   HA)  2.69  0.99  1.00
assign (resid  50 and name  HB1) (resid  50 and name  HB2)  2.29  0.59  0.58
assign (resid  50 and name  HB1) (resid  50 and name   HN)  2.81  1.11  1.10
assign (resid  50 and name  HG*) (resid  50 and name   HA)  2.99  1.29  1.29
assign (resid  50 and name  HG*) (resid  50 and name  HB2)  2.65  0.95  0.96
assign (resid  50 and name  HG*) (resid  50 and name   HN)  3.00  1.30  1.30
assign (resid  58 and name   HA) (resid  58 and name  HB*)  3.16  1.46  1.46
assign (resid  58 and name   HA) (resid  58 and name  HG*)  3.24  1.54  1.54
assign (resid  58 and name  HG*) (resid  58 and name  HB*)  2.77  1.07  1.06
assign (resid  58 and name  HG*) (resid  58 and name HE21)  3.25  1.55  1.55
assign (resid  58 and name  HG*) (resid  58 and name HE22)  3.00  1.30  1.29
assign (resid  46 and name   HA) (resid  46 and name  HG*)  2.79  1.09  1.08
assign (resid  46 and name  HB*) (resid  46 and name   HA)  3.47  1.77  1.77
assign (resid  46 and name  HB*) (resid  46 and name  HD*)  3.85  2.15  2.15
assign (resid  46 and name  HB*) (resid  46 and name   HN)  3.43  1.73  1.73
assign (resid  46 and name  HD*) (resid  46 and name  HG*)  2.77  1.07  1.06
assign (resid  46 and name  HD*) (resid  46 and name   HA)  3.35  1.65  1.65
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assign (resid  83 and name   HA) (resid  83 and name  HB1)  2.70  1.00  1.00
assign (resid  83 and name   HA) (resid  83 and name  HG*)  2.54  0.84  0.84
assign (resid  83 and name   HA) (resid  83 and name   HN)  2.69  0.99  1.00
assign (resid  83 and name  HB2) (resid  83 and name   HN)  2.71  1.01  1.02
assign (resid  83 and name  HD*) (resid  83 and name   HA)  3.85  2.15  2.15
assign (resid  83 and name  HD*) (resid  83 and name  HB2)  3.79  2.09  2.09
assign (resid  83 and name  HD*) (resid  83 and name  HB1)  3.85  2.15  2.15
assign (resid  83 and name  HD*) (resid  83 and name  HG*)  3.12  1.42  1.42
assign (resid  83 and name  HG*) (resid  83 and name   HN)  2.46  0.76  0.76
assign (resid  89 and name   HA) (resid  89 and name  HB*)  2.56  0.86  0.86
assign (resid  13 and name   HA) (resid  13 and name   HB)  2.65  0.95  0.94
assign (resid  13 and name   HA) (resid  13 and name HG2*)  3.07  1.37  1.37
assign (resid  13 and name   HA) (resid  13 and name   HN)  3.01  1.31  1.31
assign (resid  13 and name   HB) (resid  13 and name HG2*)  3.02  1.32  1.31
assign (resid  13 and name HG2*) (resid  13 and name   HN)  2.95  1.25  1.25
assign (resid  38 and name   HA) (resid  38 and name   HB)  2.67  0.97  0.97
assign (resid  38 and name   HA) (resid  38 and name HG2*)  2.73  1.03  1.03
assign (resid  38 and name   HB) (resid  38 and name HG2*)  2.69  0.99  0.98
assign (resid  53 and name   HA) (resid  53 and name HG2*)  3.04  1.34  1.34
assign (resid  53 and name   HB) (resid  53 and name   HA)  2.67  0.97  0.98
assign (resid  53 and name   HB) (resid  53 and name HG2*)  3.06  1.36  1.36
assign (resid  71 and name   HA) (resid  71 and name   HB)  2.67  0.97  0.97
assign (resid  71 and name   HB) (resid  71 and name HG2*)  2.63  0.93  0.94
assign (resid  71 and name HG2*) (resid  71 and name   HA)  2.64  0.94  0.94
assign (resid  28 and name   HA) (resid  28 and name   HB)  2.66  0.96  0.96
assign (resid  28 and name   HA) (resid  28 and name HG1*)  3.16  1.46  1.46
assign (resid  28 and name   HA) (resid  28 and name HG2*)  3.31  1.61  1.60
assign (resid  28 and name   HB) (resid  28 and name HG1*)  2.50  0.80  0.79
assign (resid  28 and name   HB) (resid  28 and name HG2*)  2.46  0.76  0.77
assign (resid  28 and name HG1*) (resid  28 and name HG2*)  2.71  1.01  1.00
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assign (resid  44 and name   HA) (resid  44 and name  HG*)  2.56  0.86  0.87
assign (resid  44 and name   HB) (resid  44 and name  HG*)  2.44  0.74  0.74
assign (resid  44 and name   HB) (resid  44 and name   HN)  2.40  0.70  0.71
assign (resid  44 and name HG1*) (resid  44 and name   HA)  2.68  0.98  0.98
assign (resid  44 and name HG1*) (resid  44 and name   HB)  2.48  0.78  0.77
assign (resid  44 and name HG1*) (resid  44 and name   HN)  3.17  1.47  1.46
assign (resid  44 and name HG2*) (resid  44 and name   HA)  2.75  1.05  1.06
assign (resid  44 and name HG2*) (resid  44 and name   HB)  2.52  0.82  0.83
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assign (resid  64 and name   HB) (resid  64 and name HG1*)  2.44  0.74  0.73
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assign (resid  72 and name   HA) (resid  72 and name HG2*)  3.09  1.39  1.39
assign (resid  72 and name   HA) (resid  72 and name HG1*)  2.76  1.06  1.06
assign (resid  72 and name   HB) (resid  72 and name HG2*)  2.50  0.80  0.81
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assign (resid  72 and name HG2*) (resid  72 and name HG1*)  3.58  1.88  1.88
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assign (resid  79 and name   HB) (resid  79 and name HG1*)  2.48  0.78  0.79
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assign (resid  82 and name   HA) (resid  82 and name HG2*)  3.16  1.46  1.46
assign (resid  82 and name   HB) (resid  82 and name   HA)  2.67  0.97  0.97
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assign (resid  82 and name HG1*) (resid  82 and name   HB)  2.44  0.74  0.74
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assign (resid   9 and name   HB) (resid   9 and name HG1*)  2.52  0.82  0.83
assign (resid   9 and name HG1*) (resid   9 and name   HA)  2.58  0.88  0.88
assign (resid   9 and name HG1*) (resid   9 and name   HN)  3.14  1.44  1.44
assign (resid   9 and name HG2*) (resid   9 and name   HA)  3.27  1.57  1.56
assign (resid   9 and name HG2*) (resid   9 and name   HN)  3.16  1.46  1.46
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assign (resid   5 and name   HA) (resid   5 and name  HB1)  2.67  0.97  0.96
assign (resid   5 and name   HA) (resid   5 and name   HN)  2.87  1.17  1.17
assign (resid   5 and name  HB2) (resid   5 and name  HB1)  2.23  0.53  0.52
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assign (resid  20 and name   HA) (resid  20 and name  HE*)  3.85  2.15  2.15
assign (resid  20 and name  HB*) (resid  20 and name  HD*)  3.85  2.15  2.15
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assign (resid  24 and name  HB2) (resid  24 and name  HD*)  3.75  2.05  2.05
assign (resid  24 and name  HB1) (resid  24 and name  HD*)  3.82  2.12  2.12
assign (resid  24 and name  HD*) (resid  24 and name  HE*)  3.70  2.00  2.00
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assign (resid  27 and name  HB2) (resid  27 and name  HD*)  3.73  2.04  2.03
assign (resid  27 and name  HB1) (resid  27 and name  HD*)  3.85  2.15  2.15
assign (resid  27 and name  HD*) (resid  27 and name  HE*)  3.14  1.44  1.44
assign (resid  74 and name   HA) (resid  74 and name  HD*)  3.50  1.80  1.80
assign (resid  74 and name  HB2) (resid  74 and name  HD*)  3.55  1.85  1.85
assign (resid  74 and name  HB1) (resid  74 and name  HD*)  3.74  2.04  2.04
assign (resid  74 and name  HD*) (resid  74 and name  HE*)  3.85  2.15  2.15
assign (resid  77 and name  HB2) (resid  77 and name  HD*)  3.77  2.07  2.06
assign (resid  77 and name  HB1) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  77 and name  HD*) (resid  77 and name   HA)  3.85  2.15  2.15
assign (resid  77 and name  HD*) (resid  77 and name  HE*)  3.47  1.77  1.77
assign (resid   5 and name   HA) (resid   5 and name  HD*)  3.08  1.38  1.38
assign (resid   5 and name   HA) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid   5 and name  HB2) (resid   5 and name  HD*)  3.33  1.63  1.63
assign (resid   5 and name  HB2) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid   5 and name  HB1) (resid   5 and name  HD*)  3.54  1.84  1.84
assign (resid   5 and name  HD*) (resid   5 and name  HE*)  2.82  1.12  1.12
assign (resid  11 and name HE21) (resid  11 and name  HG*)  3.85  2.15  2.15
assign (resid  11 and name HE22) (resid  11 and name HE21)  2.11  0.41  0.42
assign (resid  16 and name HE22) (resid  16 and name HE21)  2.13  0.43  0.43
assign (resid  18 and name HD21) (resid  18 and name HD22)  2.12  0.42  0.42
assign (resid  18 and name HD21) (resid  18 and name   HN)  3.85  2.15  2.15
assign (resid  50 and name HE21) (resid  50 and name  HG*)  3.23  1.53  1.53
assign (resid  50 and name HE22) (resid  50 and name HE21)  2.12  0.42  0.42
assign (resid  50 and name HE22) (resid  50 and name  HG*)  2.85  1.16  1.15
assign (resid  50 and name HE22) (resid  50 and name   HA)  3.62  1.92  1.92
assign (resid  51 and name HD21) (resid  51 and name HD22)  2.12  0.42  0.42
assign (resid  58 and name HE21) (resid  58 and name HE22)  2.12  0.42  0.42
assign (resid  58 and name HE22) (resid  58 and name   HA)  3.48  1.78  1.78
assign (resid  58 and name HE21) (resid  58 and name   HA)  3.73  2.03  2.02
class sequ
assign (resid   3 and name   HN) (resid   2 and name   HA)  2.31  0.61  0.61
assign (resid   3 and name   HN) (resid   4 and name   HN)  2.82  1.12  1.12
assign (resid   4 and name   HN) (resid   3 and name  HB*)  2.86  1.16  1.16
assign (resid   5 and name   HN) (resid   4 and name HG1*)  3.06  1.36  1.35
assign (resid   5 and name   HN) (resid   4 and name   HN)  2.75  1.05  1.04
assign (resid   5 and name   HN) (resid   6 and name  HB*)  3.70  2.00  2.00
assign (resid   5 and name   HN) (resid   6 and name   HN)  2.53  0.83  0.83
assign (resid   5 and name   HN) (resid   4 and name   HA)  3.10  1.41  1.40
assign (resid   5 and name   HN) (resid   4 and name HG2*)  3.55  1.85  1.85
assign (resid   5 and name   HN) (resid   4 and name   HB)  3.17  1.47  1.46
assign (resid   5 and name   HN) (resid   6 and name   HA)  3.81  2.12  2.11
assign (resid   6 and name   HN) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid   6 and name   HN) (resid   5 and name  HB1)  3.10  1.40  1.40
assign (resid   6 and name   HN) (resid   5 and name  HB2)  2.87  1.17  1.17
assign (resid   7 and name   HN) (resid   8 and name   HN)  2.62  0.92  0.92
assign (resid   7 and name   HN) (resid   6 and name  HB*)  3.04  1.34  1.34
assign (resid   7 and name   HN) (resid   6 and name   HA)  3.00  1.30  1.30
assign (resid   8 and name   HN) (resid   9 and name   HN)  2.58  0.88  0.88
assign (resid   8 and name   HN) (resid   7 and name  HB*)  2.83  1.13  1.13
assign (resid   8 and name   HN) (resid   9 and name   HB)  3.56  1.86  1.86
assign (resid   9 and name   HN) (resid  10 and name   HN)  2.63  0.93  0.94
assign (resid   9 and name   HN) (resid   8 and name  HB*)  2.92  1.22  1.21
assign (resid  10 and name   HN) (resid  11 and name   HN)  2.61  0.91  0.91
assign (resid  10 and name   HN) (resid   9 and name HG2*)  3.39  1.69  1.69
assign (resid  10 and name   HN) (resid   9 and name   HA)  3.12  1.42  1.42
assign (resid  10 and name   HN) (resid   9 and name HG1*)  3.31  1.61  1.61
assign (resid  11 and name   HN) (resid  12 and name  HB2)  3.39  1.69  1.69
assign (resid  11 and name   HN) (resid  10 and name   HA)  2.77  1.07  1.06
assign (resid  11 and name   HN) (resid  12 and name   HA)  3.69  1.99  1.99
assign (resid  11 and name   HN) (resid  12 and name HD1*)  3.85  2.15  2.15
assign (resid  12 and name   HN) (resid  11 and name  HG*)  3.75  2.05  2.05
assign (resid  12 and name   HN) (resid  13 and name   HN)  3.59  1.89  1.89
assign (resid  12 and name   HN) (resid  11 and name   HA)  2.76  1.06  1.06
assign (resid  12 and name   HN) (resid  11 and name  HB1)  3.19  1.49  1.49
assign (resid  12 and name   HN) (resid  11 and name  HB2)  2.98  1.28  1.28
assign (resid  13 and name   HN) (resid  12 and name   HG)  3.85  2.15  2.15
assign (resid  13 and name   HN) (resid  12 and name  HB2)  3.38  1.68  1.68
assign (resid  13 and name   HN) (resid  12 and name HD2*)  3.69  1.99  1.98
assign (resid  13 and name   HN) (resid  12 and name   HA)  2.66  0.96  0.96
assign (resid  13 and name   HN) (resid  14 and name   HN)  3.85  2.15  2.15
assign (resid  14 and name   HN) (resid  13 and name   HB)  2.62  0.93  0.92
assign (resid  14 and name   HN) (resid  15 and name   HN)  2.72  1.02  1.02
assign (resid  14 and name   HN) (resid  13 and name   HA)  2.48  0.78  0.79
assign (resid  14 and name   HN) (resid  13 and name HG2*)  3.42  1.72  1.71
assign (resid  15 and name   HN) (resid  16 and name   HN)  2.65  0.95  0.95
assign (resid  15 and name   HN) (resid  14 and name   HA)  3.14  1.44  1.44
assign (resid  16 and name   HN) (resid  17 and name   HN)  2.50  0.80  0.79
assign (resid  16 and name   HN) (resid  15 and name   HA)  3.13  1.43  1.43
assign (resid  16 and name   HN) (resid  15 and name  HB2)  3.00  1.30  1.29
assign (resid  16 and name   HN) (resid  17 and name  HD*)  3.85  2.15  2.15
assign (resid  17 and name   HN) (resid  16 and name  HB*)  3.45  1.75  1.75
assign (resid  17 and name   HN) (resid  16 and name  HG*)  2.74  1.04  1.04
assign (resid  17 and name   HN) (resid  16 and name   HA)  3.21  1.51  1.51
assign (resid  18 and name   HN) (resid  19 and name   HN)  2.62  0.92  0.92
assign (resid  18 and name   HN) (resid  19 and name   HA)  3.55  1.85  1.85
assign (resid  18 and name   HN) (resid  17 and name  HG*)  3.85  2.15  2.15
assign (resid  18 and name   HN) (resid  17 and name  HB*)  2.79  1.09  1.08
assign (resid  19 and name   HN) (resid  18 and name  HB2)  2.90  1.20  1.20
assign (resid  19 and name   HN) (resid  20 and name   HN)  2.56  0.86  0.85
assign (resid  19 and name   HN) (resid  18 and name  HB1)  2.96  1.26  1.26
assign (resid  19 and name   HN) (resid  18 and name   HA)  3.08  1.39  1.38
assign (resid  19 and name   HN) (resid  20 and name  HB*)  3.85  2.15  2.15
assign (resid  20 and name   HN) (resid  19 and name   HA)  3.08  1.38  1.38
assign (resid  20 and name   HN) (resid  21 and name   HN)  2.67  0.97  0.98
assign (resid  20 and name   HN) (resid  19 and name  HB*)  3.03  1.33  1.33
assign (resid  21 and name   HN) (resid  22 and name   HN)  2.84  1.14  1.14
assign (resid  21 and name   HN) (resid  20 and name  HB*)  3.42  1.72  1.71
assign (resid  21 and name   HN) (resid  20 and name   HA)  3.05  1.35  1.35
assign (resid  22 and name   HN) (resid  21 and name  HB*)  2.91  1.21  1.21
assign (resid  22 and name   HN) (resid  23 and name   HN)  2.64  0.94  0.94
assign (resid  23 and name   HN) (resid  24 and name  HB2)  3.56  1.86  1.85
assign (resid  23 and name   HN) (resid  22 and name  HB*)  3.15  1.45  1.44
assign (resid  23 and name   HN) (resid  24 and name  HB1)  3.58  1.88  1.88
assign (resid  23 and name   HN) (resid  24 and name   HN)  2.60  0.90  0.90
assign (resid  24 and name   HN) (resid  23 and name  HB*)  2.73  1.03  1.04
assign (resid  25 and name   HN) (resid  24 and name  HD*)  3.23  1.53  1.53
assign (resid  25 and name   HN) (resid  24 and name  HB1)  2.75  1.05  1.05
assign (resid  25 and name   HN) (resid  26 and name   HN)  2.67  0.97  0.98
assign (resid  25 and name   HN) (resid  24 and name  HB2)  2.87  1.17  1.17
assign (resid  25 and name   HN) (resid  24 and name   HA)  3.15  1.45  1.44
assign (resid  26 and name   HN) (resid  25 and name   HA)  3.16  1.46  1.46
assign (resid  26 and name   HN) (resid  25 and name  HB1)  3.05  1.35  1.35
assign (resid  26 and name   HN) (resid  27 and name   HN)  2.54  0.84  0.84
assign (resid  26 and name   HN) (resid  25 and name  HB2)  2.97  1.27  1.27
assign (resid  27 and name   HN) (resid  26 and name HG1*)  3.29  1.59  1.59
assign (resid  27 and name   HN) (resid  26 and name   HB)  2.68  0.98  0.98
assign (resid  27 and name   HN) (resid  26 and name HG2*)  3.19  1.49  1.48
assign (resid  27 and name   HN) (resid  26 and name   HA)  2.91  1.21  1.21
assign (resid  28 and name   HN) (resid  27 and name   HA)  3.14  1.44  1.44
assign (resid  28 and name   HN) (resid  27 and name  HB1)  3.02  1.32  1.32
assign (resid  28 and name   HN) (resid  29 and name   HN)  2.65  0.95  0.95
assign (resid  28 and name   HN) (resid  27 and name  HB2)  2.86  1.16  1.16
assign (resid  29 and name   HN) (resid  28 and name HG1*)  3.85  2.15  2.15
assign (resid  29 and name   HN) (resid  28 and name   HB)  3.23  1.53  1.53
assign (resid  29 and name   HN) (resid  28 and name   HA)  2.90  1.20  1.19
assign (resid  29 and name   HN) (resid  28 and name HG2*)  3.48  1.78  1.78
assign (resid  29 and name   HN) (resid  30 and name   HN)  3.44  1.74  1.74
assign (resid  30 and name   HN) (resid  29 and name HD2*)  3.85  2.15  2.15
assign (resid  30 and name   HN) (resid  29 and name   HA)  2.81  1.11  1.11
assign (resid  30 and name   HN) (resid  31 and name   HN)  3.04  1.34  1.33
assign (resid  30 and name   HN) (resid  29 and name  HB*)  3.77  2.07  2.06
assign (resid  31 and name   HN) (resid  30 and name  HA*)  2.83  1.14  1.14
assign (resid  32 and name   HN) (resid  33 and name   HN)  3.03  1.33  1.33
assign (resid  32 and name   HN) (resid  31 and name  HB*)  3.48  1.78  1.78
assign (resid  32 and name   HN) (resid  31 and name   HA)  2.44  0.74  0.73
assign (resid  33 and name   HN) (resid  34 and name   HN)  2.84  1.14  1.14
assign (resid  33 and name   HN) (resid  32 and name  HG*)  3.71  2.01  2.01
assign (resid  33 and name   HN) (resid  32 and name  HB*)  3.52  1.82  1.81
assign (resid  33 and name   HN) (resid  32 and name   HA)  2.85  1.15  1.15
assign (resid  34 and name   HN) (resid  35 and name   HN)  2.83  1.14  1.14
assign (resid  34 and name   HN) (resid  33 and name  HB1)  3.85  2.15  2.15
assign (resid  34 and name   HN) (resid  33 and name  HB2)  3.85  2.15  2.15
assign (resid  34 and name   HN) (resid  33 and name   HA)  2.95  1.25  1.25
assign (resid  35 and name   HN) (resid  34 and name  HA*)  2.39  0.69  0.69
assign (resid  36 and name   HN) (resid  35 and name   HA)  2.44  0.74  0.75
assign (resid  36 and name   HN) (resid  35 and name  HB1)  2.60  0.90  0.90
assign (resid  37 and name   HN) (resid  36 and name   HB)  3.18  1.48  1.48
assign (resid  37 and name   HN) (resid  36 and name   HA)  2.80  1.10  1.10
assign (resid  37 and name   HN) (resid  36 and name HG2*)  3.53  1.83  1.83
assign (resid  38 and name   HN) (resid  37 and name  HB*)  3.11  1.41  1.41
assign (resid  38 and name   HN) (resid  39 and name   HN)  2.82  1.12  1.12
assign (resid  39 and name   HN) (resid  38 and name   HA)  2.94  1.24  1.23
assign (resid  39 and name   HN) (resid  38 and name   HB)  2.93  1.23  1.23
assign (resid  39 and name   HN) (resid  40 and name   HN)  2.59  0.89  0.89
assign (resid  40 and name   HN) (resid  39 and name  HB*)  3.15  1.45  1.44
assign (resid  40 and name   HN) (resid  41 and name  HB*)  3.26  1.56  1.56
assign (resid  40 and name   HN) (resid  39 and name   HA)  3.12  1.42  1.42
assign (resid  41 and name   HN) (resid  42 and name   HN)  3.21  1.51  1.50
assign (resid  42 and name   HN) (resid  43 and name   HN)  2.91  1.21  1.21
assign (resid  42 and name   HN) (resid  41 and name  HB*)  3.67  1.97  1.96
assign (resid  43 and name   HN) (resid  42 and name  HA*)  2.64  0.94  0.94
assign (resid  43 and name   HN) (resid  44 and name HG2*)  3.85  2.15  2.15
assign (resid  44 and name   HN) (resid  45 and name   HN)  2.50  0.80  0.81
assign (resid  44 and name   HN) (resid  43 and name   HA)  2.83  1.13  1.12
assign (resid  45 and name   HN) (resid  44 and name   HA)  3.05  1.35  1.35
assign (resid  45 and name   HN) (resid  46 and name   HN)  2.63  0.93  0.94
assign (resid  45 and name   HN) (resid  44 and name   HB)  2.50  0.80  0.80
assign (resid  45 and name   HN) (resid  44 and name HG2*)  3.17  1.47  1.46
assign (resid  46 and name   HN) (resid  47 and name  HB*)  3.79  2.09  2.09
assign (resid  46 and name   HN) (resid  45 and name   HA)  3.11  1.41  1.41
assign (resid  46 and name   HN) (resid  45 and name  HB*)  2.71  1.01  1.02
assign (resid  46 and name   HN) (resid  47 and name   HN)  2.57  0.87  0.87
assign (resid  47 and name   HN) (resid  46 and name   HA)  3.02  1.32  1.31
assign (resid  47 and name   HN) (resid  46 and name  HB*)  3.33  1.63  1.63
assign (resid  47 and name   HN) (resid  48 and name   HN)  2.60  0.90  0.90
assign (resid  48 and name   HN) (resid  47 and name  HB*)  2.98  1.28  1.28
assign (resid  48 and name   HN) (resid  47 and name   HA)  3.21  1.51  1.50
assign (resid  48 and name   HN) (resid  49 and name   HN)  2.69  0.99  0.99
assign (resid  49 and name   HN) (resid  50 and name  HG*)  3.72  2.02  2.02
assign (resid  49 and name   HN) (resid  50 and name   HN)  2.58  0.89  0.89
assign (resid  49 and name   HN) (resid  48 and name  HB*)  3.28  1.58  1.58
assign (resid  50 and name   HN) (resid  49 and name  HA*)  2.67  0.97  0.96
assign (resid  51 and name   HN) (resid  50 and name  HB2)  2.73  1.03  1.02
assign (resid  51 and name   HN) (resid  50 and name   HA)  2.36  0.66  0.67
assign (resid  51 and name   HN) (resid  50 and name  HB1)  2.42  0.72  0.73
assign (resid  51 and name   HN) (resid  52 and name  HD*)  2.85  1.15  1.15
assign (resid  53 and name   HN) (resid  54 and name  HD*)  3.56  1.86  1.86
assign (resid  53 and name   HN) (resid  52 and name  HB*)  2.75  1.05  1.04
assign (resid  55 and name   HN) (resid  56 and name   HN)  2.64  0.94  0.94
assign (resid  55 and name   HN) (resid  54 and name  HD*)  3.00  1.30  1.30
assign (resid  55 and name   HN) (resid  54 and name   HA)  3.24  1.54  1.54
assign (resid  56 and name   HN) (resid  57 and name  HB*)  3.81  2.11  2.10
assign (resid  56 and name   HN) (resid  57 and name   HN)  2.93  1.23  1.23
assign (resid  56 and name   HN) (resid  55 and name  HB*)  3.06  1.36  1.36
assign (resid  57 and name   HN) (resid  58 and name   HN)  3.00  1.30  1.30
assign (resid  57 and name   HN) (resid  56 and name  HB1)  3.50  1.80  1.80
assign (resid  58 and name   HN) (resid  57 and name  HB*)  2.75  1.05  1.04
assign (resid  58 and name   HN) (resid  59 and name   HN)  2.59  0.89  0.89
assign (resid  58 and name   HN) (resid  57 and name HD2*)  3.54  1.84  1.83
assign (resid  59 and name   HN) (resid  58 and name   HA)  3.29  1.59  1.59
assign (resid  60 and name   HN) (resid  61 and name HD1*)  3.85  2.15  2.15
assign (resid  61 and name   HN) (resid  60 and name   HN)  3.76  2.06  2.06
assign (resid  62 and name   HN) (resid  61 and name HG2*)  3.66  1.96  1.96
assign (resid  62 and name   HN) (resid  61 and name   HA)  3.12  1.43  1.42
assign (resid  62 and name   HN) (resid  61 and name   HB)  2.65  0.95  0.95
assign (resid  63 and name   HN) (resid  62 and name   HA)  3.10  1.40  1.40
assign (resid  63 and name   HN) (resid  62 and name  HB*)  3.04  1.34  1.34
assign (resid  63 and name   HN) (resid  64 and name   HN)  2.65  0.95  0.95
assign (resid  63 and name   HN) (resid  64 and name HG1*)  3.70  2.00  2.00
assign (resid  63 and name   HN) (resid  64 and name   HB)  3.27  1.57  1.57
assign (resid  65 and name   HN) (resid  64 and name HG1*)  2.92  1.22  1.21
assign (resid  65 and name   HN) (resid  64 and name   HA)  2.83  1.13  1.12
assign (resid  66 and name   HN) (resid  67 and name   HN)  2.70  1.00  1.00
assign (resid  66 and name   HN) (resid  67 and name   HA)  3.54  1.84  1.84
assign (resid  66 and name   HN) (resid  65 and name   HA)  2.75  1.05  1.05
assign (resid  67 and name   HN) (resid  66 and name  HG*)  3.85  2.15  2.15
assign (resid  67 and name   HN) (resid  68 and name  HA*)  3.40  1.70  1.69
assign (resid  67 and name   HN) (resid  68 and name   HN)  2.56  0.86  0.87
assign (resid  67 and name   HN) (resid  66 and name   HA)  2.88  1.18  1.17
assign (resid  68 and name   HN) (resid  69 and name   HN)  2.75  1.05  1.05
assign (resid  68 and name   HN) (resid  67 and name   HA)  2.96  1.26  1.25
assign (resid  68 and name   HN) (resid  67 and name  HB*)  3.70  2.00  2.00
assign (resid  69 and name   HN) (resid  70 and name  HA*)  3.73  2.03  2.03
assign (resid  69 and name   HN) (resid  68 and name  HA*)  2.70  1.00  1.00
assign (resid  69 and name   HN) (resid  70 and name   HN)  2.90  1.20  1.19
assign (resid  70 and name   HN) (resid  71 and name   HN)  2.75  1.05  1.06
assign (resid  70 and name   HN) (resid  71 and name HG2*)  3.85  2.15  2.15
assign (resid  71 and name   HN) (resid  70 and name  HA*)  2.71  1.01  1.00
assign (resid  72 and name   HN) (resid  71 and name   HA)  2.31  0.61  0.62
assign (resid  73 and name   HN) (resid  72 and name HG1*)  3.58  1.89  1.88
assign (resid  73 and name   HN) (resid  72 and name   HA)  2.64  0.94  0.94
assign (resid  73 and name   HN) (resid  72 and name HG2*)  3.85  2.15  2.15
assign (resid  74 and name   HN) (resid  73 and name  HB*)  2.91  1.21  1.21
assign (resid  74 and name   HN) (resid  73 and name   HA)  2.83  1.13  1.13
assign (resid  74 and name   HN) (resid  75 and name   HN)  2.99  1.29  1.29
assign (resid  75 and name   HN) (resid  76 and name   HN)  2.69  0.99  0.98
assign (resid  75 and name   HN) (resid  74 and name   HA)  3.10  1.41  1.40
assign (resid  75 and name   HN) (resid  74 and name  HB2)  2.95  1.25  1.25
assign (resid  75 and name   HN) (resid  74 and name  HD*)  3.56  1.86  1.86
assign (resid  76 and name   HN) (resid  75 and name  HB*)  3.24  1.54  1.54
assign (resid  76 and name   HN) (resid  77 and name   HN)  2.71  1.01  1.00
assign (resid  77 and name   HN) (resid  78 and name   HN)  2.62  0.92  0.92
assign (resid  77 and name   HN) (resid  76 and name  HG*)  3.17  1.47  1.46
assign (resid  78 and name   HN) (resid  77 and name  HB2)  2.87  1.17  1.17
assign (resid  78 and name   HN) (resid  77 and name  HB1)  2.61  0.91  0.92
assign (resid  78 and name   HN) (resid  77 and name   HA)  3.00  1.30  1.29
assign (resid  79 and name   HN) (resid  80 and name   HN)  2.52  0.82  0.82
assign (resid  79 and name   HN) (resid  78 and name   HN)  2.69  0.99  0.99
assign (resid  79 and name   HN) (resid  78 and name   HA)  3.05  1.35  1.35
assign (resid  79 and name   HN) (resid  78 and name  HB2)  2.95  1.25  1.25
assign (resid  80 and name   HN) (resid  79 and name HG1*)  3.54  1.84  1.83
assign (resid  80 and name   HN) (resid  79 and name   HA)  2.79  1.09  1.09
assign (resid  80 and name   HN) (resid  81 and name   HN)  2.60  0.90  0.90
assign (resid  80 and name   HN) (resid  79 and name HG2*)  3.42  1.72  1.72
assign (resid  80 and name   HN) (resid  81 and name  HB2)  3.15  1.45  1.44
assign (resid  81 and name   HN) (resid  80 and name  HB*)  2.96  1.26  1.25
assign (resid  81 and name   HN) (resid  80 and name   HA)  3.01  1.31  1.31
assign (resid  81 and name   HN) (resid  82 and name   HN)  2.60  0.90  0.90
assign (resid  82 and name   HN) (resid  81 and name   HA)  3.11  1.41  1.41
assign (resid  82 and name   HN) (resid  81 and name  HB2)  2.79  1.09  1.08
assign (resid  84 and name   HN) (resid  83 and name  HG*)  3.31  1.61  1.61
assign (resid  84 and name   HN) (resid  83 and name  HB2)  2.85  1.15  1.15
assign (resid  84 and name   HN) (resid  83 and name  HB1)  2.81  1.11  1.11
assign (resid  84 and name   HN) (resid  83 and name   HA)  2.81  1.11  1.12
assign (resid  85 and name   HN) (resid  84 and name  HB*)  3.19  1.49  1.48
assign (resid  86 and name   HN) (resid  85 and name  HB*)  3.42  1.72  1.72
assign (resid  86 and name   HN) (resid  87 and name   HN)  3.34  1.64  1.64
assign (resid  22 and name   HA) (resid  23 and name   HN)  2.86  1.16  1.16
assign (resid  31 and name  HB*) (resid  32 and name  HB*)  3.85  2.15  2.15
assign (resid  31 and name  HB*) (resid  32 and name  HG*)  3.85  2.15  2.15
assign (resid  84 and name   HA) (resid  85 and name   HN)  3.03  1.33  1.33
assign (resid   3 and name   HA) (resid   4 and name   HN)  2.73  1.03  1.04
assign (resid  62 and name   HA) (resid  61 and name HG2*)  3.39  1.69  1.69
assign (resid  10 and name  HB*) (resid  11 and name   HN)  3.38  1.68  1.68
assign (resid  55 and name   HA) (resid  56 and name   HN)  3.43  1.73  1.73
assign (resid  56 and name  HB2) (resid  57 and name   HN)  2.34  0.64  0.64
assign (resid  59 and name  HB*) (resid  60 and name   HN)  3.02  1.32  1.32
assign (resid  66 and name  HB*) (resid  67 and name   HN)  3.75  2.05  2.05
assign (resid  27 and name   HA) (resid  26 and name HG2*)  3.70  2.00  2.00
assign (resid   4 and name HD1*) (resid   5 and name   HN)  3.85  2.15  2.15
assign (resid  86 and name   HA) (resid  87 and name   HN)  2.84  1.14  1.14
assign (resid  12 and name  HB1) (resid  13 and name   HN)  2.89  1.19  1.19
assign (resid  41 and name   HA) (resid  40 and name   HN)  3.48  1.78  1.78
assign (resid  57 and name   HA) (resid  58 and name   HN)  3.77  2.07  2.06
assign (resid  78 and name  HB1) (resid  79 and name   HN)  3.04  1.34  1.33
assign (resid  45 and name   HA) (resid  44 and name HG1*)  3.83  2.12  2.12
assign (resid  45 and name  HE*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  47 and name  HE*) (resid  48 and name HD2*)  3.85  2.15  2.15
assign (resid  80 and name   HA) (resid  79 and name HG1*)  3.85  2.15  2.15
assign (resid  80 and name  HE*) (resid  81 and name   HN)  3.85  2.15  2.15
assign (resid  51 and name   HA) (resid  52 and name  HD*)  2.56  0.86  0.86
assign (resid  51 and name  HB*) (resid  52 and name  HD*)  3.49  1.79  1.79
assign (resid  54 and name  HB*) (resid  55 and name   HN)  3.19  1.49  1.48
assign (resid  54 and name  HD*) (resid  53 and name   HA)  2.78  1.08  1.08
assign (resid  54 and name  HD*) (resid  53 and name   HB)  2.80  1.10  1.10
assign (resid  54 and name  HD*) (resid  53 and name HG2*)  3.81  2.11  2.11
assign (resid  58 and name  HB*) (resid  59 and name   HN)  3.79  2.09  2.09
assign (resid  58 and name  HG*) (resid  59 and name   HA)  3.68  1.98  1.98
assign (resid  83 and name   HA) (resid  82 and name HG1*)  3.46  1.76  1.75
assign (resid  13 and name   HA) (resid  14 and name  HB*)  3.85  2.15  2.15
assign (resid  13 and name HG2*) (resid  12 and name   HA)  3.72  2.02  2.02
assign (resid  44 and name HG1*) (resid  45 and name   HN)  3.15  1.45  1.45
assign (resid  64 and name HG1*) (resid  65 and name  HB*)  3.65  1.95  1.94
assign (resid  72 and name HG2*) (resid  71 and name   HA)  3.85  2.15  2.15
assign (resid  79 and name   HB) (resid  80 and name   HN)  2.58  0.88  0.88
assign (resid  79 and name HG1*) (resid  80 and name  HG*)  3.85  2.15  2.15
assign (resid   9 and name   HB) (resid  10 and name   HN)  2.67  0.97  0.97
assign (resid   9 and name HG1*) (resid  10 and name   HA)  3.07  1.37  1.37
assign (resid   5 and name   HA) (resid   6 and name   HN)  3.10  1.41  1.40
assign (resid  25 and name   HA) (resid  24 and name  HD*)  3.85  2.15  2.15
assign (resid   4 and name HD1*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid   4 and name HD1*) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid   4 and name HG1*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid   4 and name HG2*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid   4 and name HG2*) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid  78 and name HD2*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  11 and name HE22) (resid  10 and name  HB*)  3.85  2.15  2.15
class medium
assign (resid   6 and name   HN) (resid   4 and name   HN)  3.60  1.91  1.90
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assign (resid   7 and name   HN) (resid   4 and name   HA)  3.23  1.53  1.53
assign (resid   8 and name   HN) (resid   5 and name   HA)  2.96  1.26  1.25
assign (resid   8 and name   HN) (resid   6 and name   HA)  3.70  2.00  2.00
assign (resid   8 and name   HN) (resid  10 and name   HN)  3.41  1.71  1.71
assign (resid   8 and name   HN) (resid   4 and name   HA)  3.71  2.01  2.01
assign (resid   9 and name   HN) (resid  11 and name   HN)  3.38  1.68  1.67
assign (resid   9 and name   HN) (resid   6 and name   HA)  2.81  1.11  1.10
assign (resid   9 and name   HN) (resid   5 and name   HA)  3.35  1.65  1.65
assign (resid  10 and name   HN) (resid   7 and name  HB*)  3.85  2.15  2.15
assign (resid  10 and name   HN) (resid   8 and name  HB*)  3.85  2.15  2.15
assign (resid  11 and name   HN) (resid   9 and name   HA)  3.12  1.42  1.42
assign (resid  12 and name   HN) (resid   9 and name   HA)  2.85  1.16  1.15
assign (resid  12 and name   HN) (resid  10 and name   HA)  3.02  1.32  1.31
assign (resid  12 and name   HN) (resid  10 and name   HN)  3.42  1.72  1.71
assign (resid  13 and name   HN) (resid  16 and name   HA)  3.85  2.15  2.15
assign (resid  13 and name   HN) (resid  16 and name  HB*)  3.85  2.15  2.15
assign (resid  13 and name   HN) (resid  16 and name  HG*)  3.66  1.96  1.96
assign (resid  13 and name   HN) (resid  16 and name   HN)  3.50  1.80  1.80
assign (resid  13 and name   HN) (resid  17 and name   HN)  3.50  1.80  1.80
assign (resid  14 and name   HN) (resid  16 and name   HN)  3.33  1.63  1.62
assign (resid  15 and name   HN) (resid  13 and name HG2*)  3.81  2.11  2.11
assign (resid  15 and name   HN) (resid  13 and name   HB)  2.83  1.13  1.13
assign (resid  15 and name   HN) (resid  13 and name   HA)  3.36  1.66  1.66
assign (resid  16 and name   HN) (resid  13 and name   HA)  3.33  1.64  1.63
assign (resid  16 and name   HN) (resid  13 and name   HB)  3.02  1.32  1.32
assign (resid  17 and name   HN) (resid  12 and name HD1*)  3.85  2.15  2.15
assign (resid  18 and name   HN) (resid  16 and name   HN)  3.79  2.09  2.09
assign (resid  18 and name   HN) (resid  16 and name   HA)  3.50  1.80  1.79
assign (resid  18 and name   HN) (resid  15 and name   HA)  3.01  1.31  1.31
assign (resid  19 and name   HN) (resid  21 and name   HN)  3.66  1.96  1.96
assign (resid  19 and name   HN) (resid  16 and name   HA)  3.08  1.39  1.38
assign (resid  19 and name   HN) (resid  15 and name   HA)  3.45  1.75  1.75
assign (resid  19 and name   HN) (resid  17 and name   HA)  3.29  1.59  1.59
assign (resid  20 and name   HN) (resid  16 and name   HA)  3.32  1.62  1.62
assign (resid  20 and name   HN) (resid  18 and name   HA)  3.24  1.54  1.54
assign (resid  20 and name   HN) (resid  17 and name   HA)  3.06  1.36  1.35
assign (resid  21 and name   HN) (resid  18 and name   HA)  3.02  1.32  1.31
assign (resid  21 and name   HN) (resid  23 and name   HN)  3.29  1.59  1.59
assign (resid  21 and name   HN) (resid  19 and name   HA)  3.01  1.31  1.31
assign (resid  22 and name   HN) (resid  18 and name   HA)  3.39  1.69  1.69
assign (resid  22 and name   HN) (resid  24 and name   HN)  3.85  2.15  2.15
assign (resid  22 and name   HN) (resid  20 and name   HN)  3.66  1.96  1.96
assign (resid  23 and name   HN) (resid  26 and name   HN)  3.37  1.67  1.67
assign (resid  23 and name   HN) (resid  20 and name   HA)  3.02  1.32  1.32
assign (resid  24 and name   HN) (resid  22 and name  HB*)  3.85  2.15  2.15
assign (resid  24 and name   HN) (resid  26 and name HG1*)  3.45  1.75  1.75
assign (resid  24 and name   HN) (resid  27 and name  HD*)  3.31  1.61  1.61
assign (resid  24 and name   HN) (resid  21 and name   HA)  2.87  1.17  1.17
assign (resid  24 and name   HN) (resid  27 and name  HE*)  3.18  1.48  1.48
assign (resid  24 and name   HN) (resid  22 and name   HA)  3.52  1.82  1.82
assign (resid  25 and name   HN) (resid  21 and name  HG*)  3.60  1.90  1.90
assign (resid  25 and name   HN) (resid  22 and name   HA)  2.77  1.07  1.07
assign (resid  25 and name   HN) (resid  23 and name  HB*)  3.75  2.04  2.04
assign (resid  25 and name   HN) (resid  21 and name   HA)  3.13  1.43  1.43
assign (resid  25 and name   HN) (resid  23 and name   HN)  3.41  1.71  1.71
assign (resid  25 and name   HN) (resid  27 and name   HN)  3.57  1.87  1.87
assign (resid  25 and name   HN) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid  25 and name   HN) (resid  22 and name  HB*)  3.85  2.15  2.15
assign (resid  26 and name   HN) (resid  23 and name   HA)  2.88  1.18  1.17
assign (resid  27 and name   HN) (resid  24 and name   HA)  2.96  1.26  1.26
assign (resid  27 and name   HN) (resid  23 and name   HA)  3.33  1.63  1.62
assign (resid  28 and name   HN) (resid  25 and name   HA)  3.08  1.38  1.38
assign (resid  28 and name   HN) (resid  26 and name   HA)  3.18  1.48  1.48
assign (resid  29 and name   HN) (resid  26 and name   HA)  3.24  1.54  1.54
assign (resid  29 and name   HN) (resid  27 and name   HA)  3.56  1.86  1.86
assign (resid  29 and name   HN) (resid  25 and name   HA)  3.67  1.97  1.97
assign (resid  29 and name   HN) (resid  31 and name   HN)  3.80  2.10  2.10
assign (resid  31 and name   HN) (resid  28 and name HG1*)  3.74  2.04  2.04
assign (resid  31 and name   HN) (resid  28 and name   HB)  3.31  1.61  1.61
assign (resid  31 and name   HN) (resid  28 and name HG2*)  3.79  2.09  2.09
assign (resid  33 and name   HN) (resid  31 and name  HB*)  3.21  1.51  1.51
assign (resid  33 and name   HN) (resid  31 and name   HA)  3.28  1.58  1.58
assign (resid  33 and name   HN) (resid  35 and name   HN)  3.42  1.72  1.72
assign (resid  34 and name   HN) (resid  31 and name  HB*)  3.11  1.41  1.41
assign (resid  34 and name   HN) (resid  32 and name  HB*)  3.85  2.15  2.15
assign (resid  34 and name   HN) (resid  32 and name   HA)  3.43  1.73  1.73
assign (resid  35 and name   HN) (resid  31 and name  HB*)  2.87  1.17  1.17
assign (resid  37 and name   HN) (resid  40 and name  HB*)  3.14  1.44  1.44
assign (resid  40 and name   HN) (resid  36 and name HG2*)  3.77  2.08  2.07
assign (resid  40 and name   HN) (resid  37 and name   HN)  3.10  1.40  1.40
assign (resid  40 and name   HN) (resid  38 and name   HA)  3.00  1.30  1.30
assign (resid  40 and name   HN) (resid  38 and name   HN)  3.33  1.64  1.63
assign (resid  41 and name   HN) (resid  36 and name HG2*)  3.85  2.15  2.15
assign (resid  41 and name   HN) (resid  38 and name   HA)  2.91  1.21  1.21
assign (resid  42 and name   HN) (resid  44 and name   HB)  3.85  2.15  2.15
assign (resid  43 and name   HN) (resid  45 and name   HN)  3.52  1.82  1.81
assign (resid  43 and name   HN) (resid  40 and name   HA)  3.23  1.53  1.52
assign (resid  43 and name   HN) (resid  41 and name   HN)  3.59  1.89  1.89
assign (resid  44 and name   HN) (resid  41 and name   HA)  3.04  1.34  1.34
assign (resid  44 and name   HN) (resid  41 and name HD2*)  3.85  2.15  2.15
assign (resid  45 and name   HN) (resid  42 and name  HA*)  2.90  1.20  1.19
assign (resid  45 and name   HN) (resid  47 and name   HN)  3.14  1.44  1.44
assign (resid  45 and name   HN) (resid  41 and name HD2*)  3.82  2.12  2.12
assign (resid  46 and name   HN) (resid  43 and name   HA)  2.96  1.26  1.25
assign (resid  47 and name   HN) (resid  44 and name   HA)  3.04  1.34  1.33
assign (resid  48 and name   HN) (resid  45 and name   HA)  2.96  1.26  1.26
assign (resid  49 and name   HN) (resid  45 and name   HA)  3.81  2.11  2.10
assign (resid  49 and name   HN) (resid  46 and name   HA)  3.14  1.44  1.44
assign (resid  49 and name   HN) (resid  47 and name   HN)  3.44  1.74  1.74
assign (resid  49 and name   HN) (resid  47 and name  HB*)  3.85  2.15  2.15
assign (resid  50 and name   HN) (resid  46 and name   HA)  2.81  1.11  1.11
assign (resid  50 and name   HN) (resid  48 and name  HB*)  2.75  1.05  1.06
assign (resid  53 and name   HN) (resid  56 and name   HN)  2.93  1.23  1.23
assign (resid  53 and name   HN) (resid  56 and name  HB1)  2.62  0.93  0.92
assign (resid  53 and name   HN) (resid  57 and name   HN)  3.46  1.76  1.75
assign (resid  55 and name   HN) (resid  53 and name   HB)  2.77  1.07  1.08
assign (resid  55 and name   HN) (resid  53 and name HG2*)  3.85  2.15  2.15
assign (resid  56 and name   HN) (resid  54 and name   HA)  3.85  2.15  2.15
assign (resid  56 and name   HN) (resid  53 and name HG2*)  3.85  2.15  2.15
assign (resid  56 and name   HN) (resid  53 and name   HB)  3.42  1.72  1.72
assign (resid  57 and name   HN) (resid  52 and name  HB*)  3.61  1.91  1.91
assign (resid  57 and name   HN) (resid  54 and name   HA)  3.58  1.88  1.88
assign (resid  58 and name   HN) (resid  54 and name   HA)  3.67  1.97  1.96
assign (resid  59 and name   HN) (resid  57 and name   HN)  3.47  1.77  1.77
assign (resid  60 and name   HN) (resid  58 and name   HA)  3.82  2.12  2.12
assign (resid  62 and name   HN) (resid  59 and name   HA)  2.97  1.27  1.27
assign (resid  63 and name   HN) (resid  61 and name   HA)  3.48  1.78  1.78
assign (resid  63 and name   HN) (resid  60 and name   HA)  3.31  1.61  1.61
assign (resid  65 and name   HN) (resid  61 and name   HA)  2.90  1.20  1.20
assign (resid  65 and name   HN) (resid  62 and name   HA)  3.23  1.53  1.52
assign (resid  67 and name   HN) (resid  69 and name   HN)  3.16  1.46  1.46
assign (resid  67 and name   HN) (resid  65 and name   HA)  3.15  1.45  1.44
assign (resid  68 and name   HN) (resid  66 and name   HA)  3.50  1.80  1.80
assign (resid  68 and name   HN) (resid  65 and name  HB*)  3.54  1.84  1.84
assign (resid  68 and name   HN) (resid  66 and name   HN)  3.47  1.77  1.77
assign (resid  68 and name   HN) (resid  65 and name   HA)  3.54  1.84  1.84
assign (resid  69 and name   HN) (resid  67 and name   HA)  3.38  1.68  1.68
assign (resid  73 and name   HN) (resid  76 and name  HB*)  3.85  2.15  2.15
assign (resid  73 and name   HN) (resid  76 and name  HG*)  3.85  2.15  2.15
assign (resid  73 and name   HN) (resid  76 and name   HN)  3.69  1.99  1.99
assign (resid  75 and name   HN) (resid  77 and name   HN)  3.23  1.53  1.53
assign (resid  75 and name   HN) (resid  73 and name  HB*)  3.12  1.43  1.42
assign (resid  77 and name   HN) (resid  72 and name   HB)  3.35  1.66  1.65
assign (resid  77 and name   HN) (resid  72 and name   HA)  3.16  1.46  1.46
assign (resid  81 and name   HN) (resid  79 and name   HN)  3.17  1.47  1.46
assign (resid  81 and name   HN) (resid  78 and name   HA)  2.79  1.09  1.09
assign (resid  82 and name   HN) (resid  79 and name   HA)  2.86  1.16  1.16
assign (resid  82 and name   HN) (resid  78 and name   HA)  3.19  1.49  1.49
assign (resid  82 and name   HN) (resid  85 and name  HG*)  3.27  1.57  1.56
assign (resid  83 and name   HN) (resid  80 and name   HA)  3.33  1.64  1.63
assign (resid  83 and name   HN) (resid  79 and name HG1*)  3.85  2.15  2.15
assign (resid  83 and name   HN) (resid  79 and name   HA)  3.62  1.92  1.92
assign (resid  84 and name   HN) (resid  81 and name   HA)  3.10  1.40  1.40
assign (resid  84 and name   HN) (resid  80 and name   HA)  3.18  1.48  1.48
assign (resid  23 and name   HA) (resid  26 and name HD1*)  2.96  1.26  1.25
assign (resid  23 and name  HB*) (resid  20 and name   HA)  3.39  1.69  1.69
assign (resid  31 and name  HB*) (resid  28 and name   HB)  2.80  1.10  1.10
assign (resid  31 and name  HB*) (resid  28 and name HG1*)  3.85  2.15  2.15
assign (resid  31 and name  HB*) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid   7 and name  HB*) (resid  10 and name  HB*)  3.85  2.15  2.15
assign (resid   7 and name  HB*) (resid   4 and name   HA)  2.88  1.18  1.17
assign (resid   8 and name   HA) (resid  11 and name  HB2)  2.71  1.01  1.02
assign (resid   8 and name  HB*) (resid   5 and name   HA)  2.95  1.25  1.25
assign (resid  25 and name   HA) (resid  28 and name   HB)  3.15  1.45  1.44
assign (resid  25 and name   HA) (resid  28 and name HG1*)  3.49  1.79  1.79
assign (resid  25 and name   HA) (resid  28 and name HG2*)  2.66  0.96  0.96
assign (resid  25 and name  HB1) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid  25 and name  HB2) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid   3 and name   HA) (resid   6 and name  HB*)  3.21  1.51  1.51
assign (resid   3 and name   HA) (resid   6 and name  HD*)  3.70  2.00  2.00
assign (resid   3 and name   HA) (resid   6 and name  HG*)  3.38  1.68  1.68
assign (resid   3 and name   HA) (resid   6 and name   HN)  3.21  1.51  1.50
assign (resid   3 and name   HA) (resid   5 and name   HN)  3.68  1.98  1.98
assign (resid   3 and name  HB*) (resid   6 and name  HB*)  3.59  1.89  1.89
assign (resid  62 and name   HA) (resid  65 and name  HB*)  2.83  1.14  1.14
assign (resid  62 and name   HA) (resid  58 and name HE22)  2.79  1.09  1.09
assign (resid  62 and name  HB*) (resid  59 and name   HA)  2.85  1.15  1.15
assign (resid  65 and name  HB*) (resid  61 and name HG2*)  3.29  1.59  1.59
assign (resid  75 and name   HA) (resid  78 and name HD1*)  3.61  1.91  1.91
assign (resid  75 and name   HA) (resid  78 and name   HN)  3.59  1.89  1.89
assign (resid  14 and name   HA) (resid  17 and name  HD*)  3.54  1.84  1.83
assign (resid  14 and name   HA) (resid  17 and name  HE*)  3.85  2.15  2.15
assign (resid  14 and name   HA) (resid  18 and name  HB2)  3.22  1.52  1.52
assign (resid  14 and name  HG*) (resid  18 and name HD21)  3.83  2.13  2.13
assign (resid  14 and name  HG*) (resid  18 and name HD22)  3.83  2.13  2.13
assign (resid  15 and name   HA) (resid  18 and name  HB1)  3.07  1.37  1.37
assign (resid  15 and name   HA) (resid  18 and name  HB2)  2.91  1.21  1.21
assign (resid  15 and name   HA) (resid  18 and name HD21)  3.39  1.69  1.69
assign (resid  15 and name   HA) (resid  18 and name HD22)  3.28  1.58  1.58
assign (resid  15 and name  HG*) (resid  13 and name   HA)  3.35  1.65  1.65
assign (resid  19 and name   HA) (resid  22 and name  HB*)  2.98  1.28  1.28
assign (resid  19 and name   HA) (resid  22 and name   HN)  3.06  1.36  1.36
assign (resid  19 and name  HB*) (resid  16 and name   HA)  3.38  1.68  1.67
assign (resid  55 and name   HA) (resid  58 and name   HN)  3.31  1.61  1.61
assign (resid  63 and name  HB*) (resid  60 and name   HA)  3.85  2.15  2.15
assign (resid  76 and name   HA) (resid  79 and name   HN)  3.37  1.67  1.67
assign (resid  76 and name  HB*) (resid  72 and name HG2*)  3.85  2.15  2.15
assign (resid  76 and name  HB*) (resid  72 and name HG1*)  3.46  1.76  1.76
assign (resid  20 and name  HB*) (resid  17 and name   HA)  3.62  1.92  1.92
assign (resid  24 and name  HB2) (resid  21 and name   HA)  3.00  1.30  1.30
assign (resid  24 and name  HB1) (resid  21 and name   HA)  2.77  1.07  1.08
assign (resid  74 and name   HA) (resid  77 and name   HN)  2.89  1.19  1.19
assign (resid  77 and name   HA) (resid  80 and name  HB*)  2.94  1.24  1.24
assign (resid  77 and name   HA) (resid  72 and name   HB)  2.83  1.13  1.12
assign (resid  77 and name   HA) (resid  72 and name HG2*)  3.73  2.03  2.03
assign (resid  77 and name   HA) (resid  72 and name HG1*)  2.98  1.28  1.27
assign (resid  77 and name  HB2) (resid  74 and name   HA)  2.62  0.93  0.92
assign (resid  77 and name  HB2) (resid  72 and name HG1*)  2.98  1.28  1.28
assign (resid  77 and name  HB1) (resid  74 and name   HA)  2.72  1.02  1.02
assign (resid  77 and name  HB1) (resid  72 and name HG1*)  3.46  1.76  1.76
assign (resid  34 and name  HA*) (resid  31 and name  HB*)  2.69  0.99  0.99
assign (resid  42 and name  HA*) (resid  45 and name  HB*)  2.71  1.01  1.01
assign (resid  26 and name   HA) (resid  29 and name HD2*)  3.38  1.68  1.67
assign (resid  26 and name   HA) (resid  29 and name HD1*)  3.61  1.91  1.91
assign (resid  26 and name   HB) (resid  23 and name   HA)  2.90  1.20  1.19
assign (resid  26 and name HG2*) (resid  23 and name   HA)  3.75  2.05  2.05
assign (resid  36 and name HG2*) (resid  40 and name  HB*)  3.31  1.61  1.60
assign (resid  36 and name HG2*) (resid  41 and name   HA)  3.46  1.76  1.75
assign (resid  36 and name HG2*) (resid  41 and name  HB*)  3.85  2.15  2.15
assign (resid  61 and name   HB) (resid  58 and name   HA)  2.69  0.99  1.00
assign (resid  61 and name HG2*) (resid  58 and name   HA)  3.85  2.15  2.15
assign (resid  61 and name HG2*) (resid  58 and name HE21)  3.38  1.68  1.68
assign (resid  61 and name HG2*) (resid  58 and name HE22)  3.60  1.91  1.90
assign (resid  17 and name  HD*) (resid  12 and name  HD*)  3.85  2.15  2.15
assign (resid  21 and name  HB*) (resid  18 and name   HA)  2.92  1.22  1.22
assign (resid  43 and name   HA) (resid  46 and name  HD*)  3.38  1.68  1.67
assign (resid  12 and name  HB1) (resid  16 and name  HG*)  3.17  1.47  1.47
assign (resid  12 and name HD2*) (resid  16 and name  HB*)  3.85  2.15  2.15
assign (resid  12 and name HD2*) (resid  16 and name HE21)  3.85  2.15  2.15
assign (resid  12 and name HD2*) (resid  16 and name  HG*)  3.85  2.15  2.15
assign (resid  12 and name HD2*) (resid   9 and name   HA)  3.85  2.15  2.15
assign (resid  12 and name   HG) (resid   9 and name   HA)  2.62  0.92  0.92
assign (resid  29 and name   HG) (resid  26 and name   HA)  3.63  1.93  1.93
assign (resid  41 and name   HA) (resid  44 and name   HB)  2.81  1.11  1.10
assign (resid  41 and name   HA) (resid  44 and name  HG*)  3.41  1.71  1.71
assign (resid  41 and name  HB*) (resid  38 and name   HA)  3.19  1.49  1.49
assign (resid  41 and name HD2*) (resid  45 and name  HB*)  3.85  2.15  2.15
assign (resid  41 and name HD2*) (resid  45 and name  HE*)  3.85  2.15  2.15
assign (resid  41 and name HD2*) (resid  45 and name  HG*)  3.65  1.95  1.94
assign (resid  41 and name HD2*) (resid  44 and name   HB)  3.62  1.92  1.92
assign (resid  41 and name HD1*) (resid  45 and name  HG*)  3.85  2.15  2.15
assign (resid  41 and name HD1*) (resid  38 and name   HA)  3.85  2.15  2.15
assign (resid  41 and name HD1*) (resid  44 and name   HB)  3.74  2.04  2.04
assign (resid  48 and name HD1*) (resid  45 and name   HA)  3.85  2.15  2.15
assign (resid  48 and name HD1*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  48 and name HD2*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  57 and name   HA) (resid  61 and name HG1*)  3.34  1.64  1.64
assign (resid  57 and name   HA) (resid  60 and name   HN)  3.58  1.88  1.88
assign (resid  57 and name  HB*) (resid  54 and name   HA)  3.58  1.88  1.88
assign (resid  57 and name HD2*) (resid  54 and name   HA)  3.77  2.08  2.07
assign (resid  78 and name HD2*) (resid  74 and name   HZ)  3.85  2.15  2.15
assign (resid  78 and name HD2*) (resid  81 and name  HB1)  3.27  1.57  1.57
assign (resid  78 and name HD2*) (resid  81 and name  HB2)  3.85  2.15  2.15
assign (resid  47 and name   HA) (resid  49 and name   HN)  3.60  1.90  1.90
assign (resid  47 and name  HE*) (resid  44 and name   HA)  3.85  2.15  2.15
assign (resid  47 and name  HE*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  47 and name  HG*) (resid  44 and name   HA)  2.69  0.99  0.98
assign (resid  80 and name   HA) (resid  83 and name  HB2)  2.85  1.16  1.15
assign (resid  80 and name   HA) (resid  83 and name  HB1)  3.05  1.35  1.35
assign (resid  80 and name  HE*) (resid  77 and name   HA)  3.85  2.15  2.15
assign (resid  81 and name   HA) (resid  84 and name  HB*)  3.07  1.37  1.37
assign (resid  81 and name  HB2) (resid  78 and name   HA)  3.16  1.46  1.46
assign (resid  85 and name  HE*) (resid  81 and name   HA)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  82 and name   HA)  3.62  1.93  1.92
assign (resid  85 and name  HE*) (resid  82 and name HG1*)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  82 and name HG2*)  3.85  2.15  2.15
assign (resid  51 and name   HA) (resid  46 and name  HG*)  3.22  1.52  1.52
assign (resid  52 and name  HD*) (resid  50 and name   HA)  3.11  1.41  1.41
assign (resid  52 and name  HD*) (resid  50 and name  HB2)  2.98  1.28  1.28
assign (resid  52 and name  HG*) (resid  57 and name  HD*)  3.21  1.51  1.51
assign (resid  54 and name   HA) (resid  57 and name  HD*)  3.10  1.41  1.40
assign (resid  11 and name  HB1) (resid   8 and name   HA)  3.28  1.58  1.58
assign (resid  58 and name   HA) (resid  61 and name HD1*)  3.40  1.70  1.70
assign (resid  58 and name   HA) (resid  61 and name   HN)  3.79  2.08  2.08
assign (resid  58 and name  HB*) (resid  55 and name   HA)  3.54  1.84  1.84
assign (resid  38 and name   HA) (resid  41 and name   HG)  2.73  1.03  1.03
assign (resid  53 and name HG2*) (resid  55 and name  HB*)  3.85  2.15  2.15
assign (resid  28 and name   HA) (resid  31 and name  HB*)  3.35  1.65  1.65
assign (resid  44 and name HG2*) (resid  41 and name   HA)  3.49  1.79  1.79
assign (resid  64 and name HG1*) (resid  61 and name   HA)  3.44  1.74  1.73
assign (resid  72 and name HG1*) (resid  77 and name   HN)  2.83  1.13  1.12
assign (resid  79 and name   HB) (resid  76 and name   HA)  2.62  0.92  0.92
assign (resid  79 and name HG1*) (resid  83 and name  HD*)  3.85  2.15  2.15
assign (resid  79 and name HG1*) (resid  83 and name  HG*)  3.70  2.00  2.00
assign (resid  82 and name   HA) (resid  86 and name   HN)  3.41  1.71  1.71
assign (resid  82 and name   HA) (resid  85 and name  HG*)  3.35  1.66  1.65
assign (resid  82 and name   HA) (resid  85 and name   HN)  3.35  1.65  1.65
assign (resid  82 and name HG2*) (resid  79 and name   HA)  3.23  1.53  1.52
assign (resid   9 and name   HB) (resid   6 and name   HA)  2.65  0.95  0.96
assign (resid   9 and name HG2*) (resid   6 and name   HA)  3.34  1.64  1.64
assign (resid  23 and name  HB*) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid   8 and name  HB*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid  20 and name  HD*) (resid  17 and name   HA)  3.62  1.92  1.92
assign (resid  21 and name   HA) (resid  24 and name  HD*)  3.85  2.15  2.15
assign (resid  78 and name HD1*) (resid  74 and name  HE*)  3.85  2.15  2.15
assign (resid  80 and name  HE*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  80 and name  HE*) (resid  77 and name  HE*)  3.85  2.15  2.15
assign (resid  72 and name HG1*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  11 and name HE22) (resid   8 and name   HA)  3.85  2.15  2.15
assign (resid  11 and name HE22) (resid   7 and name  HB*)  3.85  2.15  2.15
assign (resid  11 and name HE21) (resid   7 and name  HB*)  3.85  2.15  2.15
assign (resid  18 and name HD22) (resid  14 and name  HB*)  3.85  2.15  2.15
assign (resid  50 and name HE22) (resid  45 and name  HE*)  3.85  2.15  2.15
assign (resid  58 and name HE21) (resid  61 and name   HB)  3.46  1.76  1.75
class long
assign (resid  21 and name   HN) (resid  74 and name   HZ)  2.92  1.22  1.21
assign (resid  34 and name   HN) (resid  28 and name   HB)  3.85  2.15  2.15
assign (resid  34 and name   HN) (resid  28 and name HG1*)  3.85  2.15  2.15
assign (resid  34 and name   HN) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid  35 and name   HN) (resid  28 and name   HB)  3.11  1.41  1.41
assign (resid  35 and name   HN) (resid  28 and name HG1*)  3.38  1.68  1.68
assign (resid  35 and name   HN) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid  36 and name   HN) (resid  72 and name   HN)  2.88  1.18  1.17
assign (resid  36 and name   HN) (resid  28 and name HG1*)  3.85  2.15  2.15
assign (resid  36 and name   HN) (resid  72 and name   HB)  2.91  1.21  1.21
assign (resid  36 and name   HN) (resid  71 and name   HB)  2.97  1.27  1.27
assign (resid  36 and name   HN) (resid  73 and name   HA)  3.29  1.59  1.58
assign (resid  38 and name   HN) (resid  71 and name   HA)  2.80  1.10  1.10
assign (resid  42 and name   HN) (resid  57 and name  HD*)  3.44  1.74  1.73
assign (resid  43 and name   HN) (resid  57 and name HD2*)  3.85  2.15  2.15
assign (resid  48 and name   HN) (resid  27 and name  HE*)  3.64  1.94  1.94
assign (resid  58 and name   HN) (resid  38 and name HG2*)  3.85  2.15  2.15
assign (resid  66 and name   HN) (resid  76 and name  HG*)  3.07  1.37  1.37
assign (resid  66 and name   HN) (resid  76 and name  HB*)  3.70  2.00  2.00
assign (resid  72 and name   HN) (resid  36 and name   HB)  2.87  1.17  1.17
assign (resid  72 and name   HN) (resid  37 and name   HA)  2.93  1.23  1.23
assign (resid  72 and name   HN) (resid  35 and name  HB1)  2.85  1.15  1.15
assign (resid  74 and name   HN) (resid  24 and name  HE*)  3.85  2.15  2.15
assign (resid  74 and name   HN) (resid  35 and name   HA)  3.85  2.15  2.15
assign (resid  80 and name   HN) (resid  64 and name HG1*)  3.33  1.64  1.63
assign (resid  23 and name  HB*) (resid  48 and name HD2*)  3.85  2.15  2.15
assign (resid   8 and name  HB*) (resid  82 and name   HB)  3.06  1.36  1.35
assign (resid   8 and name  HB*) (resid  82 and name HG1*)  2.96  1.26  1.26
assign (resid   8 and name  HB*) (resid  82 and name HG2*)  3.62  1.92  1.92
assign (resid  35 and name   HA) (resid  73 and name   HA)  2.79  1.09  1.08
assign (resid  35 and name   HA) (resid  28 and name HG1*)  3.19  1.49  1.48
assign (resid  35 and name   HA) (resid  28 and name HG2*)  3.83  2.13  2.13
assign (resid  35 and name  HB1) (resid  71 and name   HB)  2.81  1.11  1.12
assign (resid  35 and name  HB1) (resid  71 and name HG2*)  3.85  2.15  2.15
assign (resid  35 and name  HB2) (resid  71 and name   HB)  2.80  1.10  1.10
assign (resid  35 and name  HB2) (resid  71 and name HG2*)  3.39  1.69  1.69
assign (resid  20 and name  HB*) (resid  78 and name HD2*)  3.85  2.15  2.15
assign (resid  24 and name   HA) (resid  36 and name HD1*)  3.85  2.15  2.15
assign (resid  27 and name  HB2) (resid  36 and name HG2*)  3.85  2.15  2.15
assign (resid  27 and name  HB1) (resid  36 and name HD1*)  3.32  1.62  1.62
assign (resid  27 and name  HB1) (resid  36 and name HG2*)  3.85  2.15  2.15
assign (resid  34 and name  HA*) (resid  28 and name HG1*)  3.40  1.70  1.70
assign (resid  34 and name  HA*) (resid  28 and name HG2*)  2.92  1.22  1.21
assign (resid  34 and name  HA*) (resid  28 and name   HB)  2.23  0.53  0.54
assign (resid  42 and name  HA*) (resid  57 and name  HD*)  2.33  0.63  0.62
assign (resid  42 and name  HA*) (resid  52 and name  HG*)  2.73  1.03  1.02
assign (resid  36 and name   HB) (resid  72 and name   HB)  2.17  0.47  0.47
assign (resid  36 and name HD1*) (resid  27 and name  HB2)  2.90  1.20  1.20
assign (resid  36 and name HD1*) (resid  28 and name HG1*)  3.85  2.15  2.15
assign (resid  36 and name HD1*) (resid  72 and name   HB)  3.52  1.82  1.82
assign (resid  36 and name HD1*) (resid  72 and name HG1*)  3.85  2.15  2.15
assign (resid  36 and name HG1*) (resid  28 and name HG1*)  3.08  1.38  1.38
assign (resid  36 and name HG2*) (resid  27 and name   HN)  3.11  1.41  1.41
assign (resid  36 and name HG2*) (resid  28 and name   HA)  3.85  2.15  2.15
assign (resid  36 and name HG2*) (resid  72 and name   HB)  3.19  1.49  1.48
assign (resid  61 and name HD1*) (resid  38 and name   HB)  3.85  2.15  2.15
assign (resid  61 and name HD1*) (resid  38 and name HG2*)  3.85  2.15  2.15
assign (resid  61 and name HG2*) (resid  38 and name   HB)  3.02  1.32  1.32
assign (resid  17 and name   HA) (resid  78 and name HD2*)  3.85  2.15  2.15
assign (resid  41 and name HD2*) (resid  72 and name   HB)  3.85  2.15  2.15
assign (resid  57 and name HD2*) (resid  42 and name  HA*)  3.75  2.04  2.04
assign (resid  57 and name HD2*) (resid  38 and name   HB)  3.85  2.15  2.15
assign (resid  78 and name HD1*) (resid  17 and name  HG*)  3.85  2.15  2.15
assign (resid  45 and name  HB*) (resid  52 and name  HD*)  2.81  1.11  1.12
assign (resid  45 and name  HE*) (resid  52 and name  HD*)  3.85  2.15  2.15
assign (resid  47 and name  HE*) (resid  23 and name   HA)  3.85  2.15  2.15
assign (resid  47 and name  HE*) (resid  26 and name   HB)  3.63  1.93  1.93
assign (resid  47 and name  HE*) (resid  26 and name HD1*)  3.85  2.15  2.15
assign (resid  80 and name   HA) (resid  64 and name   HB)  2.67  0.97  0.98
assign (resid  80 and name   HA) (resid  64 and name HG1*)  3.02  1.32  1.32
assign (resid  80 and name  HB*) (resid  64 and name HG1*)  3.06  1.36  1.36
assign (resid  80 and name  HE*) (resid  61 and name   HA)  3.85  2.15  2.15
assign (resid  80 and name  HE*) (resid  61 and name HG1*)  3.83  2.13  2.13
assign (resid  80 and name  HE*) (resid  60 and name  HB*)  3.33  1.63  1.63
assign (resid  80 and name  HE*) (resid  72 and name HG1*)  3.85  2.15  2.15
assign (resid  80 and name  HG*) (resid  64 and name HG1*)  3.12  1.42  1.42
assign (resid  81 and name  HE*) (resid  48 and name HD1*)  3.85  2.15  2.15
assign (resid  81 and name  HE*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  20 and name   HZ)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  12 and name  HD*)  3.29  1.59  1.59
assign (resid  85 and name  HE*) (resid  50 and name HE21)  3.85  2.15  2.15
assign (resid  52 and name  HD*) (resid  46 and name  HG*)  3.22  1.52  1.52
assign (resid  58 and name   HA) (resid  38 and name HG2*)  3.85  2.15  2.15
assign (resid  83 and name  HD*) (resid  64 and name HG1*)  3.85  2.15  2.15
assign (resid  37 and name  HB*) (resid  71 and name HG2*)  3.52  1.82  1.82
assign (resid  71 and name   HA) (resid  61 and name HG2*)  3.44  1.74  1.74
assign (resid  71 and name   HA) (resid  37 and name   HA)  2.86  1.16  1.16
assign (resid  28 and name HG1*) (resid  35 and name  HB2)  3.85  2.15  2.15
assign (resid  28 and name HG1*) (resid  36 and name   HA)  3.12  1.42  1.42
assign (resid  64 and name HG1*) (resid  80 and name  HE*)  3.85  2.15  2.15
assign (resid  72 and name HG2*) (resid  36 and name   HB)  3.85  2.15  2.15
assign (resid  72 and name HG1*) (resid  36 and name   HB)  3.36  1.66  1.66
assign (resid  72 and name HG1*) (resid  61 and name HG1*)  3.04  1.34  1.33
assign (resid  79 and name   HB) (resid  64 and name HG1*)  2.98  1.28  1.28
assign (resid  79 and name HG1*) (resid   5 and name  HB2)  3.85  2.15  2.15
assign (resid  79 and name HG1*) (resid   5 and name  HB1)  3.81  2.11  2.10
assign (resid  82 and name   HA) (resid  12 and name HD2*)  3.85  2.15  2.15
assign (resid  82 and name HG1*) (resid   9 and name   HA)  3.06  1.36  1.35
assign (resid  82 and name HG1*) (resid   5 and name   HA)  3.81  2.11  2.11
assign (resid  82 and name HG2*) (resid   9 and name   HA)  3.77  2.07  2.06
assign (resid  82 and name HG2*) (resid   5 and name   HA)  3.85  2.15  2.15
assign (resid  82 and name HG2*) (resid   5 and name  HB1)  3.85  2.15  2.15
assign (resid   9 and name HG1*) (resid  78 and name HD1*)  3.43  1.73  1.73
assign (resid   9 and name HG1*) (resid  79 and name   HA)  3.40  1.70  1.69
assign (resid  20 and name  HD*) (resid  78 and name HD2*)  3.85  2.15  2.15
assign (resid  24 and name  HB2) (resid  74 and name  HD*)  3.85  2.15  2.15
assign (resid  24 and name  HB1) (resid  74 and name  HD*)  3.85  2.15  2.15
assign (resid  27 and name  HD*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  36 and name HD1*) (resid  24 and name  HD*)  3.85  2.15  2.15
assign (resid  36 and name HD1*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  36 and name HD1*) (resid  77 and name  HE*)  3.85  2.15  2.15
assign (resid  21 and name   HA) (resid  74 and name  HD*)  3.85  2.15  2.15
assign (resid  21 and name   HA) (resid  74 and name  HE*)  3.23  1.53  1.53
assign (resid  48 and name HD1*) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  48 and name HD2*) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  81 and name  HE*) (resid  20 and name  HD*)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  20 and name  HE*)  3.85  2.15  2.15
assign (resid  83 and name   HA) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid  83 and name   HA) (resid   5 and name  HE*)  3.72  2.02  2.02
assign (resid  44 and name HG1*) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  44 and name HG2*) (resid  27 and name  HD*)  3.85  2.15  2.15
assign (resid  82 and name HG1*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid  82 and name HG2*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid   5 and name  HE*) (resid  82 and name HG1*)  3.85  2.15  2.15


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT3      MET   1  76.744  -0.561  17.077
    2   2H    MET   1           HT2      MET   1  75.194  -0.093  16.563
    3   3H    MET   1           HT1      MET   1  75.699  -1.706  16.389
    4    HA   MET   1           HA       MET   1  76.085  -1.018  14.261
    5   1HB   MET   1           HB2      MET   1  76.249   1.613  15.701
    6   2HB   MET   1           HB1      MET   1  76.877   1.499  14.056
    7   1HG   MET   1           HG2      MET   1  74.085   0.652  14.883
    8   2HG   MET   1           HG1      MET   1  74.477   2.198  14.130
    9   1HE   MET   1           HE2      MET   1  73.689  -1.197  14.074
   10   2HE   MET   1           HE1      MET   1  72.574  -0.695  12.805
   11   3HE   MET   1           HE3      MET   1  73.859  -1.857  12.449
   12    H    ASP   2           HN       ASP   2  77.903  -2.534  14.661
   13    HA   ASP   2           HA       ASP   2  80.465  -1.612  15.644
   14   1HB   ASP   2           HB2      ASP   2  79.254  -4.001  15.196
   15   2HB   ASP   2           HB1      ASP   2  80.285  -3.909  13.768
   16    H    ASP   3           HN       ASP   3  82.376  -2.263  13.877
   17    HA   ASP   3           HA       ASP   3  82.041  -0.245  11.726
   18   1HB   ASP   3           HB2      ASP   3  84.083  -1.087  13.494
   19   2HB   ASP   3           HB1      ASP   3  84.624  -1.535  11.876
   20    H    ILE   4           HN       ILE   4  81.048  -3.244  11.820
   21    HA   ILE   4           HA       ILE   4  82.494  -4.457   9.567
   22    HB   ILE   4           HB       ILE   4  79.963  -5.179  11.083
   23   1HG1  ILE   4          HG12      ILE   4  82.718  -6.419  11.282
   24   2HG1  ILE   4          HG11      ILE   4  82.200  -5.095  12.327
   25   1HG2  ILE   4          HG21      ILE   4  81.527  -6.558   8.914
   26   2HG2  ILE   4          HG23      ILE   4  80.661  -7.511  10.121
   27   3HG2  ILE   4          HG22      ILE   4  79.780  -6.387   9.084
   28   1HD1  ILE   4          HD12      ILE   4  80.722  -7.726  12.038
   29   2HD1  ILE   4          HD11      ILE   4  81.828  -7.343  13.357
   30   3HD1  ILE   4          HD13      ILE   4  80.335  -6.423  13.162
   31    H    TYR   5           HN       TYR   5  79.078  -3.477  10.088
   32    HA   TYR   5           HA       TYR   5  78.273  -3.694   7.363
   33   1HB   TYR   5           HB2      TYR   5  77.337  -2.197   9.806
   34   2HB   TYR   5           HB1      TYR   5  76.506  -1.984   8.263
   35    HD1  TYR   5           HD2      TYR   5  77.410  -4.418  10.900
   36    HD2  TYR   5           HD1      TYR   5  75.201  -3.763   7.274
   37    HE1  TYR   5           HE2      TYR   5  76.203  -6.557  11.248
   38    HE2  TYR   5           HE1      TYR   5  73.995  -5.901   7.622
   39    HH   TYR   5           HH       TYR   5  74.151  -7.928   8.787
   40    H    LYS   6           HN       LYS   6  79.423  -0.849   9.212
   41    HA   LYS   6           HA       LYS   6  79.160   1.185   7.338
   42   1HB   LYS   6           HB2      LYS   6  80.804   0.526   9.630
   43   2HB   LYS   6           HB1      LYS   6  81.748   1.434   8.448
   44   1HG   LYS   6           HG2      LYS   6  79.139   2.613   8.638
   45   2HG   LYS   6           HG1      LYS   6  79.803   2.441  10.264
   46   1HD   LYS   6           HD2      LYS   6  80.424   4.603   9.127
   47   2HD   LYS   6           HD1      LYS   6  81.808   3.640   9.646
   48   1HE   LYS   6           HE2      LYS   6  82.567   3.628   7.514
   49   2HE   LYS   6           HE1      LYS   6  81.090   2.784   7.008
   50   1HZ   LYS   6           HZ2      LYS   6  81.170   5.701   7.530
   51   2HZ   LYS   6           HZ1      LYS   6  81.449   5.046   5.987
   52   3HZ   LYS   6           HZ3      LYS   6  79.950   4.814   6.747
   53    H    ALA   7           HN       ALA   7  81.649  -1.358   7.423
   54    HA   ALA   7           HA       ALA   7  83.068  -0.324   5.083
   55   1HB   ALA   7           HB2      ALA   7  83.184  -2.644   6.961
   56   2HB   ALA   7           HB1      ALA   7  83.977  -2.832   5.397
   57   3HB   ALA   7           HB3      ALA   7  84.463  -1.528   6.480
   58    H    ALA   8           HN       ALA   8  80.427  -2.537   5.693
   59    HA   ALA   8           HA       ALA   8  80.526  -4.034   3.240
   60   1HB   ALA   8           HB1      ALA   8  79.224  -4.371   5.473
   61   2HB   ALA   8           HB3      ALA   8  78.023  -3.295   4.758
   62   3HB   ALA   8           HB2      ALA   8  78.419  -4.824   3.970
   63    H    VAL   9           HN       VAL   9  79.072  -0.923   4.125
   64    HA   VAL   9           HA       VAL   9  77.599  -0.611   1.632
   65    HB   VAL   9           HB       VAL   9  78.477   1.294   3.826
   66   1HG1  VAL   9          HG12      VAL   9  77.653   2.021   1.309
   67   2HG1  VAL   9          HG11      VAL   9  76.122   1.959   2.182
   68   3HG1  VAL   9          HG13      VAL   9  77.424   3.001   2.758
   69   1HG2  VAL   9          HG22      VAL   9  75.949  -0.281   3.274
   70   2HG2  VAL   9          HG21      VAL   9  76.981  -0.362   4.702
   71   3HG2  VAL   9          HG23      VAL   9  75.998   1.072   4.405
   72    H    GLU  10           HN       GLU  10  80.820   0.219   2.790
   73    HA   GLU  10           HA       GLU  10  81.418   1.983   0.520
   74   1HB   GLU  10           HB2      GLU  10  82.734   0.933   2.985
   75   2HB   GLU  10           HB1      GLU  10  83.792   1.479   1.684
   76   1HG   GLU  10           HG2      GLU  10  83.028   3.678   1.801
   77   2HG   GLU  10           HG1      GLU  10  81.489   3.210   2.524
   78    H    GLN  11           HN       GLN  11  82.055  -1.373   1.477
   79    HA   GLN  11           HA       GLN  11  83.999  -2.094  -0.442
   80   1HB   GLN  11           HB2      GLN  11  82.127  -3.315   1.385
   81   2HB   GLN  11           HB1      GLN  11  82.169  -4.236  -0.118
   82   1HG   GLN  11           HG2      GLN  11  84.190  -5.080   0.395
   83   2HG   GLN  11           HG1      GLN  11  84.847  -3.460   0.637
   84   1HE2  GLN  11          HE22      GLN  11  84.955  -3.865   4.123
   85   2HE2  GLN  11          HE21      GLN  11  85.561  -3.097   2.736
   86    H    LEU  12           HN       LEU  12  80.550  -1.523  -0.814
   87    HA   LEU  12           HA       LEU  12  79.847  -2.866  -3.133
   88   1HB   LEU  12           HB2      LEU  12  79.347   0.011  -2.304
   89   2HB   LEU  12           HB1      LEU  12  78.445  -0.812  -3.578
   90    HG   LEU  12           HG       LEU  12  78.643  -1.770  -0.708
   91   1HD1  LEU  12          HD13      LEU  12  76.816   0.089  -2.102
   92   2HD1  LEU  12          HD12      LEU  12  76.014  -1.179  -1.174
   93   3HD1  LEU  12          HD11      LEU  12  77.144  -0.086  -0.377
   94   1HD2  LEU  12          HD23      LEU  12  77.776  -2.996  -3.190
   95   2HD2  LEU  12          HD22      LEU  12  77.919  -3.718  -1.588
   96   3HD2  LEU  12          HD21      LEU  12  76.435  -2.886  -2.051
   97    H    THR  13           HN       THR  13  79.985  -2.304  -5.419
   98    HA   THR  13           HA       THR  13  82.592  -1.159  -6.161
   99    HB   THR  13           HB       THR  13  81.603  -1.824  -8.479
  100    HG1  THR  13           HG1      THR  13  79.903  -3.528  -7.181
  101   1HG2  THR  13          HG23      THR  13  82.633  -3.401  -6.258
  102   2HG2  THR  13          HG22      THR  13  81.630  -4.370  -7.337
  103   3HG2  THR  13          HG21      THR  13  83.025  -3.498  -7.975
  104    H    GLU  14           HN       GLU  14  82.766   0.593  -7.758
  105    HA   GLU  14           HA       GLU  14  81.155   2.881  -7.188
  106   1HB   GLU  14           HB2      GLU  14  83.486   2.860  -8.057
  107   2HB   GLU  14           HB1      GLU  14  82.890   2.232  -9.594
  108   1HG   GLU  14           HG2      GLU  14  81.269   4.434  -9.156
  109   2HG   GLU  14           HG1      GLU  14  82.838   4.973  -8.557
  110    H    GLU  15           HN       GLU  15  80.838   0.311  -9.564
  111    HA   GLU  15           HA       GLU  15  78.879   1.713 -11.220
  112   1HB   GLU  15           HB2      GLU  15  78.777  -0.454 -12.351
  113   2HB   GLU  15           HB1      GLU  15  80.460  -0.076 -11.984
  114   1HG   GLU  15           HG2      GLU  15  80.513  -1.582 -10.149
  115   2HG   GLU  15           HG1      GLU  15  78.754  -1.713 -10.106
  116    H    GLN  16           HN       GLN  16  78.799  -0.210  -8.320
  117    HA   GLN  16           HA       GLN  16  76.072  -1.147  -8.501
  118   1HB   GLN  16           HB2      GLN  16  77.730  -2.156  -7.033
  119   2HB   GLN  16           HB1      GLN  16  77.971  -0.623  -6.193
  120   1HG   GLN  16           HG2      GLN  16  76.487  -1.655  -4.741
  121   2HG   GLN  16           HG1      GLN  16  75.356  -0.808  -5.795
  122   1HE2  GLN  16          HE21      GLN  16  74.161  -2.915  -4.671
  123   2HE2  GLN  16          HE22      GLN  16  74.087  -4.260  -5.704
  124    H    LYS  17           HN       LYS  17  77.558   1.623  -6.778
  125    HA   LYS  17           HA       LYS  17  74.979   2.685  -5.922
  126   1HB   LYS  17           HB2      LYS  17  77.873   3.502  -5.869
  127   2HB   LYS  17           HB1      LYS  17  76.634   4.683  -5.444
  128   1HG   LYS  17           HG2      LYS  17  76.472   3.774  -3.394
  129   2HG   LYS  17           HG1      LYS  17  75.995   2.238  -4.118
  130   1HD   LYS  17           HD2      LYS  17  77.979   1.333  -3.573
  131   2HD   LYS  17           HD1      LYS  17  78.822   2.593  -4.476
  132   1HE   LYS  17           HE2      LYS  17  77.727   3.194  -1.731
  133   2HE   LYS  17           HE1      LYS  17  79.302   2.398  -1.916
  134   1HZ   LYS  17           HZ3      LYS  17  78.603   4.775  -3.523
  135   2HZ   LYS  17           HZ2      LYS  17  79.240   4.950  -1.957
  136   3HZ   LYS  17           HZ1      LYS  17  80.140   4.155  -3.159
  137    H    ASN  18           HN       ASN  18  76.965   2.965  -8.759
  138    HA   ASN  18           HA       ASN  18  76.049   5.545  -9.681
  139   1HB   ASN  18           HB2      ASN  18  77.775   3.391 -10.474
  140   2HB   ASN  18           HB1      ASN  18  76.734   3.804 -11.837
  141   1HD2  ASN  18          HD22      ASN  18  79.832   6.106 -11.408
  142   2HD2  ASN  18          HD21      ASN  18  79.716   4.436 -11.123
  143    H    GLU  19           HN       GLU  19  75.054   2.196 -10.477
  144    HA   GLU  19           HA       GLU  19  72.868   3.059 -12.197
  145   1HB   GLU  19           HB2      GLU  19  73.412   0.398 -10.841
  146   2HB   GLU  19           HB1      GLU  19  72.419   0.659 -12.275
  147   1HG   GLU  19           HG2      GLU  19  75.412   1.040 -12.014
  148   2HG   GLU  19           HG1      GLU  19  74.562  -0.110 -13.047
  149    H    PHE  20           HN       PHE  20  73.125   1.858  -8.847
  150    HA   PHE  20           HA       PHE  20  70.301   1.782  -8.309
  151   1HB   PHE  20           HB2      PHE  20  72.861   1.884  -6.734
  152   2HB   PHE  20           HB1      PHE  20  71.319   2.022  -5.889
  153    HD1  PHE  20           HD1      PHE  20  72.842  -0.054  -8.629
  154    HD2  PHE  20           HD2      PHE  20  70.369   0.046  -5.117
  155    HE1  PHE  20           HE1      PHE  20  72.546  -2.513  -8.768
  156    HE2  PHE  20           HE2      PHE  20  70.073  -2.413  -5.256
  157    HZ   PHE  20           HZ       PHE  20  71.161  -3.693  -7.081
  158    H    LYS  21           HN       LYS  21  72.745   4.340  -8.087
  159    HA   LYS  21           HA       LYS  21  71.326   6.249  -6.548
  160   1HB   LYS  21           HB2      LYS  21  73.666   6.480  -7.176
  161   2HB   LYS  21           HB1      LYS  21  73.241   6.521  -8.887
  162   1HG   LYS  21           HG2      LYS  21  72.227   8.652  -8.704
  163   2HG   LYS  21           HG1      LYS  21  72.131   8.548  -6.945
  164   1HD   LYS  21           HD2      LYS  21  74.715   8.430  -7.009
  165   2HD   LYS  21           HD1      LYS  21  74.564   9.016  -8.665
  166   1HE   LYS  21           HE2      LYS  21  73.565  10.399  -6.149
  167   2HE   LYS  21           HE1      LYS  21  74.835  10.964  -7.253
  168   1HZ   LYS  21           HZ2      LYS  21  73.061  10.735  -9.047
  169   2HZ   LYS  21           HZ1      LYS  21  71.936  10.690  -7.775
  170   3HZ   LYS  21           HZ3      LYS  21  72.920  12.055  -7.988
  171    H    ALA  22           HN       ALA  22  70.967   5.275  -9.911
  172    HA   ALA  22           HA       ALA  22  69.334   7.513 -10.755
  173   1HB   ALA  22           HB1      ALA  22  70.661   5.434 -11.929
  174   2HB   ALA  22           HB3      ALA  22  68.997   4.856 -12.025
  175   3HB   ALA  22           HB2      ALA  22  69.437   6.400 -12.755
  176    H    ALA  23           HN       ALA  23  68.419   4.094 -10.138
  177    HA   ALA  23           HA       ALA  23  65.627   4.398 -10.167
  178   1HB   ALA  23           HB3      ALA  23  67.611   2.495  -9.374
  179   2HB   ALA  23           HB2      ALA  23  66.399   2.574  -8.095
  180   3HB   ALA  23           HB1      ALA  23  65.914   2.197  -9.747
  181    H    PHE  24           HN       PHE  24  67.853   4.769  -7.394
  182    HA   PHE  24           HA       PHE  24  66.098   5.235  -5.297
  183   1HB   PHE  24           HB2      PHE  24  68.453   5.232  -4.934
  184   2HB   PHE  24           HB1      PHE  24  68.715   6.510  -6.120
  185    HD1  PHE  24           HD1      PHE  24  67.940   8.847  -5.627
  186    HD2  PHE  24           HD2      PHE  24  67.870   5.733  -2.670
  187    HE1  PHE  24           HE1      PHE  24  67.722  10.551  -3.839
  188    HE2  PHE  24           HE2      PHE  24  67.651   7.436  -0.882
  189    HZ   PHE  24           HZ       PHE  24  67.576   9.846  -1.466
  190    H    ASP  25           HN       ASP  25  67.161   7.626  -7.738
  191    HA   ASP  25           HA       ASP  25  65.675   9.845  -6.688
  192   1HB   ASP  25           HB2      ASP  25  67.307   9.117  -8.971
  193   2HB   ASP  25           HB1      ASP  25  65.935  10.100  -9.485
  194    H    ILE  26           HN       ILE  26  64.692   7.033  -8.449
  195    HA   ILE  26           HA       ILE  26  62.334   8.146  -9.719
  196    HB   ILE  26           HB       ILE  26  63.055   5.308  -8.918
  197   1HG1  ILE  26          HG12      ILE  26  64.772   6.582 -10.304
  198   2HG1  ILE  26          HG11      ILE  26  64.138   5.118 -11.056
  199   1HG2  ILE  26          HG23      ILE  26  61.014   6.535 -10.753
  200   2HG2  ILE  26          HG22      ILE  26  61.660   4.931 -11.098
  201   3HG2  ILE  26          HG21      ILE  26  60.812   5.233  -9.582
  202   1HD1  ILE  26          HD12      ILE  26  62.513   6.478 -12.329
  203   2HD1  ILE  26          HD11      ILE  26  63.165   7.940 -11.589
  204   3HD1  ILE  26          HD13      ILE  26  64.170   6.977 -12.672
  205    H    PHE  27           HN       PHE  27  62.947   6.438  -6.646
  206    HA   PHE  27           HA       PHE  27  60.140   6.313  -5.902
  207   1HB   PHE  27           HB2      PHE  27  62.534   6.187  -4.060
  208   2HB   PHE  27           HB1      PHE  27  61.004   5.318  -3.926
  209    HD1  PHE  27           HD2      PHE  27  60.447   3.967  -6.268
  210    HD2  PHE  27           HD1      PHE  27  64.342   4.864  -4.694
  211    HE1  PHE  27           HE2      PHE  27  61.405   2.080  -7.561
  212    HE2  PHE  27           HE1      PHE  27  65.298   2.977  -5.988
  213    HZ   PHE  27           HZ       PHE  27  63.831   1.586  -7.422
  214    H    VAL  28           HN       VAL  28  62.843   8.525  -5.224
  215    HA   VAL  28           HA       VAL  28  61.352  10.138  -3.310
  216    HB   VAL  28           HB       VAL  28  63.348  11.491  -3.381
  217   1HG1  VAL  28          HG11      VAL  28  63.382   8.800  -2.846
  218   2HG1  VAL  28          HG13      VAL  28  64.698   8.951  -4.011
  219   3HG1  VAL  28          HG12      VAL  28  64.723   9.899  -2.524
  220   1HG2  VAL  28          HG21      VAL  28  63.808  10.111  -6.033
  221   2HG2  VAL  28          HG23      VAL  28  63.624  11.840  -5.736
  222   3HG2  VAL  28          HG22      VAL  28  65.078  11.001  -5.193
  223    H    LEU  29           HN       LEU  29  61.408   9.867  -6.722
  224    HA   LEU  29           HA       LEU  29  61.043  12.462  -7.708
  225   1HB   LEU  29           HB2      LEU  29  61.156  10.650  -9.220
  226   2HB   LEU  29           HB1      LEU  29  59.896   9.752  -8.373
  227    HG   LEU  29           HG       LEU  29  58.972  12.361  -9.321
  228   1HD1  LEU  29          HD11      LEU  29  60.447  10.565 -11.148
  229   2HD1  LEU  29          HD13      LEU  29  58.849  11.048 -11.716
  230   3HD1  LEU  29          HD12      LEU  29  60.054  12.276 -11.325
  231   1HD2  LEU  29          HD23      LEU  29  58.091   9.564  -9.060
  232   2HD2  LEU  29          HD22      LEU  29  57.165  11.054  -8.882
  233   3HD2  LEU  29          HD21      LEU  29  57.453  10.381 -10.487
  234    H    GLY  30           HN       GLY  30  58.946  10.613  -5.632
  235   1HA   GLY  30           HA2      GLY  30  56.760  12.609  -6.032
  236   2HA   GLY  30           HA1      GLY  30  56.525  10.993  -5.362
  237    H    ALA  31           HN       ALA  31  59.009  11.249  -3.716
  238    HA   ALA  31           HA       ALA  31  57.949  12.032  -1.249
  239   1HB   ALA  31           HB2      ALA  31  60.152  10.852  -1.904
  240   2HB   ALA  31           HB1      ALA  31  60.828  12.474  -2.072
  241   3HB   ALA  31           HB3      ALA  31  60.213  11.931  -0.510
  242    H    GLU  32           HN       GLU  32  58.725  14.007   0.066
  243    HA   GLU  32           HA       GLU  32  58.265  16.451  -1.569
  244   1HB   GLU  32           HB2      GLU  32  57.622  17.420   0.551
  245   2HB   GLU  32           HB1      GLU  32  56.901  15.812   0.471
  246   1HG   GLU  32           HG2      GLU  32  58.858  14.924   1.755
  247   2HG   GLU  32           HG1      GLU  32  59.442  16.580   1.934
  248    H    ASP  33           HN       ASP  33  60.714  14.866   0.383
  249    HA   ASP  33           HA       ASP  33  62.446  17.298   0.261
  250   1HB   ASP  33           HB2      ASP  33  63.627  16.274   2.071
  251   2HB   ASP  33           HB1      ASP  33  61.921  15.968   2.398
  252    H    GLY  34           HN       GLY  34  62.302  13.878  -0.681
  253   1HA   GLY  34           HA2      GLY  34  63.359  13.477  -2.969
  254   2HA   GLY  34           HA1      GLY  34  64.774  14.301  -2.309
  255    H    CYS  35           HN       CYS  35  62.690  11.987  -0.619
  256    HA   CYS  35           HA       CYS  35  65.023  10.102  -0.501
  257   1HB   CYS  35           HB2      CYS  35  63.682  11.598   1.539
  258   2HB   CYS  35           HB1      CYS  35  63.336   9.889   1.800
  259    HG   CYS  35           HG       CYS  35  65.639  10.479   2.950
  260    H    ILE  36           HN       ILE  36  64.327   7.820  -0.074
  261    HA   ILE  36           HA       ILE  36  61.853   7.194  -1.579
  262    HB   ILE  36           HB       ILE  36  63.811   5.245  -0.348
  263   1HG1  ILE  36          HG12      ILE  36  64.145   6.846  -2.906
  264   2HG1  ILE  36          HG11      ILE  36  65.179   6.931  -1.480
  265   1HG2  ILE  36          HG21      ILE  36  61.585   5.129  -2.169
  266   2HG2  ILE  36          HG23      ILE  36  63.051   4.626  -3.012
  267   3HG2  ILE  36          HG22      ILE  36  62.556   3.800  -1.534
  268   1HD1  ILE  36          HD13      ILE  36  64.729   4.316  -2.910
  269   2HD1  ILE  36          HD12      ILE  36  65.966   5.448  -3.456
  270   3HD1  ILE  36          HD11      ILE  36  66.048   4.767  -1.832
  271    H    SER  37           HN       SER  37  59.996   7.151  -0.363
  272    HA   SER  37           HA       SER  37  59.998   6.723   2.513
  273   1HB   SER  37           HB2      SER  37  58.395   7.955   0.705
  274   2HB   SER  37           HB1      SER  37  57.513   6.445   0.909
  275    HG   SER  37           HG       SER  37  57.579   6.837   3.176
  276    H    THR  38           HN       THR  38  59.296   4.872   3.639
  277    HA   THR  38           HA       THR  38  59.778   2.301   2.482
  278    HB   THR  38           HB       THR  38  58.973   1.513   4.640
  279    HG1  THR  38           HG1      THR  38  57.072   2.840   4.615
  280   1HG2  THR  38          HG22      THR  38  61.013   3.289   4.320
  281   2HG2  THR  38          HG21      THR  38  60.037   4.124   5.528
  282   3HG2  THR  38          HG23      THR  38  60.633   2.496   5.848
  283    H    LYS  39           HN       LYS  39  56.846   4.234   2.826
  284    HA   LYS  39           HA       LYS  39  54.837   2.301   2.441
  285   1HB   LYS  39           HB2      LYS  39  55.256   5.198   1.917
  286   2HB   LYS  39           HB1      LYS  39  53.888   4.451   1.091
  287   1HG   LYS  39           HG2      LYS  39  54.401   4.180   4.065
  288   2HG   LYS  39           HG1      LYS  39  53.330   5.394   3.365
  289   1HD   LYS  39           HD2      LYS  39  52.223   3.352   2.160
  290   2HD   LYS  39           HD1      LYS  39  53.008   2.406   3.425
  291   1HE   LYS  39           HE2      LYS  39  51.272   4.818   4.036
  292   2HE   LYS  39           HE1      LYS  39  50.643   3.158   3.991
  293   1HZ   LYS  39           HZ1      LYS  39  52.656   2.634   5.467
  294   2HZ   LYS  39           HZ3      LYS  39  52.702   4.301   5.774
  295   3HZ   LYS  39           HZ2      LYS  39  51.321   3.402   6.185
  296    H    GLU  40           HN       GLU  40  56.829   3.968  -0.012
  297    HA   GLU  40           HA       GLU  40  55.514   2.445  -2.186
  298   1HB   GLU  40           HB2      GLU  40  57.832   4.391  -2.298
  299   2HB   GLU  40           HB1      GLU  40  56.720   3.970  -3.601
  300   1HG   GLU  40           HG2      GLU  40  55.174   4.858  -1.364
  301   2HG   GLU  40           HG1      GLU  40  56.442   6.047  -1.663
  302    H    LEU  41           HN       LEU  41  58.165   2.040  -0.082
  303    HA   LEU  41           HA       LEU  41  60.267   0.971  -1.524
  304   1HB   LEU  41           HB2      LEU  41  59.731   1.120   1.029
  305   2HB   LEU  41           HB1      LEU  41  59.085  -0.508   0.821
  306    HG   LEU  41           HG       LEU  41  61.490  -0.501   1.509
  307   1HD1  LEU  41          HD12      LEU  41  60.250  -2.135  -0.250
  308   2HD1  LEU  41          HD11      LEU  41  61.546  -1.528  -1.282
  309   3HD1  LEU  41          HD13      LEU  41  61.934  -2.352   0.228
  310   1HD2  LEU  41          HD23      LEU  41  61.827   1.639  -0.019
  311   2HD2  LEU  41          HD22      LEU  41  63.151   0.501   0.224
  312   3HD2  LEU  41          HD21      LEU  41  62.190   0.435  -1.253
  313    H    GLY  42           HN       GLY  42  57.304  -0.836  -0.598
  314   1HA   GLY  42           HA2      GLY  42  57.875  -3.307  -1.748
  315   2HA   GLY  42           HA1      GLY  42  56.249  -2.617  -1.733
  316    H    LYS  43           HN       LYS  43  56.181  -0.635  -3.448
  317    HA   LYS  43           HA       LYS  43  56.333  -1.808  -6.051
  318   1HB   LYS  43           HB2      LYS  43  55.686   0.751  -4.765
  319   2HB   LYS  43           HB1      LYS  43  56.357   0.951  -6.384
  320   1HG   LYS  43           HG2      LYS  43  54.619  -1.133  -6.770
  321   2HG   LYS  43           HG1      LYS  43  53.766  -0.183  -5.552
  322   1HD   LYS  43           HD2      LYS  43  54.953   1.490  -7.634
  323   2HD   LYS  43           HD1      LYS  43  53.793   0.332  -8.284
  324   1HE   LYS  43           HE2      LYS  43  53.022   1.821  -5.802
  325   2HE   LYS  43           HE1      LYS  43  52.964   2.685  -7.350
  326   1HZ   LYS  43           HZ2      LYS  43  51.694   0.854  -8.287
  327   2HZ   LYS  43           HZ1      LYS  43  51.725   0.041  -6.795
  328   3HZ   LYS  43           HZ3      LYS  43  50.887   1.509  -6.944
  329    H    VAL  44           HN       VAL  44  58.571   0.228  -4.214
  330    HA   VAL  44           HA       VAL  44  60.402   0.881  -6.304
  331    HB   VAL  44           HB       VAL  44  60.692   0.452  -3.315
  332   1HG1  VAL  44          HG13      VAL  44  62.776   0.547  -5.122
  333   2HG1  VAL  44          HG12      VAL  44  62.604   2.237  -4.647
  334   3HG1  VAL  44          HG11      VAL  44  62.886   0.999  -3.422
  335   1HG2  VAL  44          HG21      VAL  44  59.720   2.607  -5.057
  336   2HG2  VAL  44          HG23      VAL  44  59.473   2.365  -3.328
  337   3HG2  VAL  44          HG22      VAL  44  60.945   3.143  -3.908
  338    H    MET  45           HN       MET  45  60.312  -1.875  -4.033
  339    HA   MET  45           HA       MET  45  62.698  -3.130  -5.153
  340   1HB   MET  45           HB2      MET  45  60.568  -3.723  -3.130
  341   2HB   MET  45           HB1      MET  45  61.563  -5.061  -3.708
  342   1HG   MET  45           HG2      MET  45  63.152  -2.688  -3.087
  343   2HG   MET  45           HG1      MET  45  62.255  -3.279  -1.689
  344   1HE   MET  45           HE1      MET  45  65.113  -2.878  -2.701
  345   2HE   MET  45           HE3      MET  45  66.100  -4.199  -2.060
  346   3HE   MET  45           HE2      MET  45  65.704  -4.143  -3.776
  347    H    ARG  46           HN       ARG  46  59.182  -3.620  -5.448
  348    HA   ARG  46           HA       ARG  46  59.058  -6.002  -6.897
  349   1HB   ARG  46           HB2      ARG  46  57.515  -3.426  -6.862
  350   2HB   ARG  46           HB1      ARG  46  57.074  -4.669  -8.034
  351   1HG   ARG  46           HG2      ARG  46  57.482  -5.930  -5.494
  352   2HG   ARG  46           HG1      ARG  46  56.400  -4.557  -5.267
  353   1HD   ARG  46           HD2      ARG  46  56.013  -6.622  -7.459
  354   2HD   ARG  46           HD1      ARG  46  55.201  -6.700  -5.883
  355    HE   ARG  46           HE       ARG  46  54.304  -4.382  -6.416
  356   1HH1  ARG  46          HH11      ARG  46  55.205  -3.222  -8.667
  357   2HH1  ARG  46          HH12      ARG  46  54.368  -3.919 -10.013
  358   1HH2  ARG  46          HH21      ARG  46  53.313  -6.712  -8.249
  359   2HH2  ARG  46          HH22      ARG  46  53.297  -5.897  -9.776
  360    H    MET  47           HN       MET  47  59.614  -2.716  -8.219
  361    HA   MET  47           HA       MET  47  59.972  -3.761 -10.940
  362   1HB   MET  47           HB2      MET  47  60.212  -1.416 -11.483
  363   2HB   MET  47           HB1      MET  47  58.931  -1.552 -10.277
  364   1HG   MET  47           HG2      MET  47  60.482  -0.932  -8.499
  365   2HG   MET  47           HG1      MET  47  61.826  -0.908  -9.640
  366   1HE   MET  47           HE3      MET  47  62.708   1.002  -9.332
  367   2HE   MET  47           HE2      MET  47  62.469   1.481 -11.012
  368   3HE   MET  47           HE1      MET  47  62.122   2.626  -9.718
  369    H    LEU  48           HN       LEU  48  62.039  -2.748  -8.255
  370    HA   LEU  48           HA       LEU  48  64.491  -2.427  -9.680
  371   1HB   LEU  48           HB2      LEU  48  63.501  -2.657  -6.961
  372   2HB   LEU  48           HB1      LEU  48  65.044  -3.496  -7.134
  373    HG   LEU  48           HG       LEU  48  64.862  -0.840  -8.443
  374   1HD1  LEU  48          HD13      LEU  48  64.576  -1.270  -5.488
  375   2HD1  LEU  48          HD12      LEU  48  65.529   0.097  -6.067
  376   3HD1  LEU  48          HD11      LEU  48  63.831  -0.048  -6.517
  377   1HD2  LEU  48          HD23      LEU  48  66.884  -2.379  -6.800
  378   2HD2  LEU  48          HD22      LEU  48  66.957  -1.991  -8.519
  379   3HD2  LEU  48          HD21      LEU  48  67.155  -0.715  -7.318
  380    H    GLY  49           HN       GLY  49  62.761  -5.309  -8.645
  381   1HA   GLY  49           HA2      GLY  49  63.266  -7.386  -9.931
  382   2HA   GLY  49           HA1      GLY  49  64.972  -6.951  -9.816
  383    H    GLN  50           HN       GLN  50  62.853  -6.486  -7.080
  384    HA   GLN  50           HA       GLN  50  64.219  -8.785  -5.712
  385   1HB   GLN  50           HB2      GLN  50  63.371  -6.023  -4.804
  386   2HB   GLN  50           HB1      GLN  50  63.815  -7.293  -3.663
  387   1HG   GLN  50           HG2      GLN  50  65.825  -7.255  -5.667
  388   2HG   GLN  50           HG1      GLN  50  65.545  -5.579  -5.189
  389   1HE2  GLN  50          HE22      GLN  50  67.894  -6.459  -2.616
  390   2HE2  GLN  50          HE21      GLN  50  67.773  -5.764  -4.159
  391    H    ASN  51           HN       ASN  51  62.789  -9.225  -3.554
  392    HA   ASN  51           HA       ASN  51  59.882  -9.141  -4.184
  393   1HB   ASN  51           HB2      ASN  51  61.580 -11.627  -3.804
  394   2HB   ASN  51           HB1      ASN  51  59.816 -11.638  -3.795
  395   1HD2  ASN  51          HD22      ASN  51  61.500 -12.025  -7.302
  396   2HD2  ASN  51          HD21      ASN  51  62.109 -12.557  -5.810
  397    HA   PRO  52           HA       PRO  52  61.218  -8.858   0.325
  398   1HB   PRO  52           HB2      PRO  52  60.492  -6.254   0.747
  399   2HB   PRO  52           HB1      PRO  52  62.113  -6.729   0.196
  400   1HG   PRO  52           HG2      PRO  52  59.822  -5.652  -1.369
  401   2HG   PRO  52           HG1      PRO  52  61.554  -5.323  -1.529
  402   1HD   PRO  52           HD2      PRO  52  60.178  -7.010  -3.177
  403   2HD   PRO  52           HD1      PRO  52  61.915  -7.166  -2.835
  404    H    THR  53           HN       THR  53  59.679  -9.071   2.007
  405    HA   THR  53           HA       THR  53  56.876  -9.332   1.177
  406    HB   THR  53           HB       THR  53  56.929  -9.787   3.853
  407    HG1  THR  53           HG1      THR  53  59.086 -10.836   4.073
  408   1HG2  THR  53          HG22      THR  53  57.250 -11.346   1.427
  409   2HG2  THR  53          HG21      THR  53  58.104 -12.093   2.776
  410   3HG2  THR  53          HG23      THR  53  56.379 -11.753   2.906
  411    HA   PRO  54           HA       PRO  54  55.349  -5.538   2.761
  412   1HB   PRO  54           HB2      PRO  54  53.127  -6.272   4.181
  413   2HB   PRO  54           HB1      PRO  54  53.200  -6.314   2.407
  414   1HG   PRO  54           HG2      PRO  54  53.469  -8.538   4.364
  415   2HG   PRO  54           HG1      PRO  54  52.669  -8.513   2.785
  416   1HD   PRO  54           HD2      PRO  54  55.137  -9.600   3.212
  417   2HD   PRO  54           HD1      PRO  54  54.610  -8.936   1.650
  418    H    GLU  55           HN       GLU  55  55.746  -8.106   5.167
  419    HA   GLU  55           HA       GLU  55  55.747  -6.244   7.442
  420   1HB   GLU  55           HB2      GLU  55  55.490  -9.036   6.920
  421   2HB   GLU  55           HB1      GLU  55  56.860  -8.829   8.011
  422   1HG   GLU  55           HG2      GLU  55  55.276  -8.759   9.639
  423   2HG   GLU  55           HG1      GLU  55  55.037  -7.097   9.100
  424    H    GLU  56           HN       GLU  56  58.079  -7.562   5.217
  425    HA   GLU  56           HA       GLU  56  60.395  -7.138   6.968
  426   1HB   GLU  56           HB2      GLU  56  59.773  -8.136   4.236
  427   2HB   GLU  56           HB1      GLU  56  61.398  -7.494   4.482
  428   1HG   GLU  56           HG2      GLU  56  60.512  -9.225   6.675
  429   2HG   GLU  56           HG1      GLU  56  60.579 -10.060   5.122
  430    H    LEU  57           HN       LEU  57  58.808  -5.417   4.291
  431    HA   LEU  57           HA       LEU  57  60.692  -3.510   3.567
  432   1HB   LEU  57           HB2      LEU  57  57.809  -3.816   3.630
  433   2HB   LEU  57           HB1      LEU  57  58.257  -2.129   3.892
  434    HG   LEU  57           HG       LEU  57  59.651  -2.162   1.874
  435   1HD1  LEU  57          HD11      LEU  57  59.156  -5.053   2.134
  436   2HD1  LEU  57          HD13      LEU  57  58.973  -4.441   0.491
  437   3HD1  LEU  57          HD12      LEU  57  60.491  -4.206   1.355
  438   1HD2  LEU  57          HD21      LEU  57  56.768  -2.967   1.748
  439   2HD2  LEU  57          HD23      LEU  57  57.528  -1.452   1.261
  440   3HD2  LEU  57          HD22      LEU  57  57.681  -2.883   0.242
  441    H    GLN  58           HN       GLN  58  58.168  -2.332   5.748
  442    HA   GLN  58           HA       GLN  58  59.686  -0.301   6.953
  443   1HB   GLN  58           HB2      GLN  58  57.208  -0.678   7.054
  444   2HB   GLN  58           HB1      GLN  58  57.492  -1.980   8.209
  445   1HG   GLN  58           HG2      GLN  58  56.930   0.185   9.322
  446   2HG   GLN  58           HG1      GLN  58  58.524  -0.420   9.776
  447   1HE2  GLN  58          HE22      GLN  58  60.279   2.251   8.226
  448   2HE2  GLN  58          HE21      GLN  58  60.414   0.716   8.940
  449    H    GLU  59           HN       GLU  59  59.143  -3.628   8.165
  450    HA   GLU  59           HA       GLU  59  60.516  -3.572  10.578
  451   1HB   GLU  59           HB2      GLU  59  59.402  -5.547   9.833
  452   2HB   GLU  59           HB1      GLU  59  60.365  -5.620   8.356
  453   1HG   GLU  59           HG2      GLU  59  62.405  -5.965   9.795
  454   2HG   GLU  59           HG1      GLU  59  61.330  -6.100  11.188
  455    H    MET  60           HN       MET  60  62.135  -4.773   7.619
  456    HA   MET  60           HA       MET  60  64.781  -4.613   8.523
  457   1HB   MET  60           HB2      MET  60  63.364  -4.461   5.892
  458   2HB   MET  60           HB1      MET  60  65.093  -4.108   5.916
  459   1HG   MET  60           HG2      MET  60  63.843  -6.608   7.090
  460   2HG   MET  60           HG1      MET  60  64.601  -6.525   5.500
  461   1HE   MET  60           HE1      MET  60  66.310  -7.252   5.036
  462   2HE   MET  60           HE3      MET  60  67.915  -6.788   5.617
  463   3HE   MET  60           HE2      MET  60  67.167  -8.281   6.180
  464    H    ILE  61           HN       ILE  61  62.955  -2.078   6.761
  465    HA   ILE  61           HA       ILE  61  64.978  -0.092   6.713
  466    HB   ILE  61           HB       ILE  61  61.961   0.144   6.985
  467   1HG1  ILE  61          HG12      ILE  61  63.608   0.276   4.453
  468   2HG1  ILE  61          HG11      ILE  61  62.987  -1.256   5.069
  469   1HG2  ILE  61          HG22      ILE  61  64.142   2.099   6.307
  470   2HG2  ILE  61          HG21      ILE  61  62.543   2.290   5.587
  471   3HG2  ILE  61          HG23      ILE  61  62.732   2.323   7.341
  472   1HD1  ILE  61          HD12      ILE  61  60.745   0.280   5.224
  473   2HD1  ILE  61          HD11      ILE  61  61.536   1.004   3.822
  474   3HD1  ILE  61          HD13      ILE  61  61.151  -0.718   3.826
  475    H    ASP  62           HN       ASP  62  62.222  -0.237   9.010
  476    HA   ASP  62           HA       ASP  62  63.113   1.720  10.824
  477   1HB   ASP  62           HB2      ASP  62  60.916   0.859  11.022
  478   2HB   ASP  62           HB1      ASP  62  61.483  -0.811  11.051
  479    H    GLU  63           HN       GLU  63  64.319  -1.502  10.289
  480    HA   GLU  63           HA       GLU  63  65.689  -1.719  12.878
  481   1HB   GLU  63           HB2      GLU  63  65.189  -3.306  10.440
  482   2HB   GLU  63           HB1      GLU  63  66.753  -3.611  11.194
  483   1HG   GLU  63           HG2      GLU  63  65.823  -4.523  13.076
  484   2HG   GLU  63           HG1      GLU  63  64.428  -3.445  13.035
  485    H    VAL  64           HN       VAL  64  66.558  -0.931   9.517
  486    HA   VAL  64           HA       VAL  64  69.407  -0.612  10.215
  487    HB   VAL  64           HB       VAL  64  68.444  -1.562   8.056
  488   1HG1  VAL  64          HG13      VAL  64  67.744   1.365   7.698
  489   2HG1  VAL  64          HG12      VAL  64  67.805   0.208   6.368
  490   3HG1  VAL  64          HG11      VAL  64  66.638  -0.008   7.673
  491   1HG2  VAL  64          HG23      VAL  64  70.789  -0.739   8.280
  492   2HG2  VAL  64          HG22      VAL  64  70.146  -0.496   6.656
  493   3HG2  VAL  64          HG21      VAL  64  70.249   0.862   7.776
  494    H    ASP  65           HN       ASP  65  66.559   1.329  10.145
  495    HA   ASP  65           HA       ASP  65  67.692   3.888   9.500
  496   1HB   ASP  65           HB2      ASP  65  65.251   3.127   9.636
  497   2HB   ASP  65           HB1      ASP  65  65.395   3.302  11.385
  498    H    GLU  66           HN       GLU  66  69.077   5.115  10.713
  499    HA   GLU  66           HA       GLU  66  69.377   4.439  13.620
  500   1HB   GLU  66           HB2      GLU  66  71.192   5.005  11.364
  501   2HB   GLU  66           HB1      GLU  66  71.619   5.840  12.858
  502   1HG   GLU  66           HG2      GLU  66  72.301   3.926  13.843
  503   2HG   GLU  66           HG1      GLU  66  70.850   3.064  13.331
  504    H    ASP  67           HN       ASP  67  68.937   7.034  11.268
  505    HA   ASP  67           HA       ASP  67  69.211   9.176  13.250
  506   1HB   ASP  67           HB2      ASP  67  68.604  10.575  11.327
  507   2HB   ASP  67           HB1      ASP  67  69.785   9.364  10.825
  508    H    GLY  68           HN       GLY  68  66.931   6.878  13.003
  509   1HA   GLY  68           HA2      GLY  68  64.630   6.748  13.475
  510   2HA   GLY  68           HA1      GLY  68  64.976   8.070  14.590
  511    H    SER  69           HN       SER  69  65.023   7.936  11.020
  512    HA   SER  69           HA       SER  69  63.382  10.421  10.985
  513   1HB   SER  69           HB2      SER  69  64.403  10.796   8.914
  514   2HB   SER  69           HB1      SER  69  65.655   9.890   9.757
  515    HG   SER  69           HG       SER  69  65.136   9.107   7.616
  516    H    GLY  70           HN       GLY  70  63.485   7.207   9.393
  517   1HA   GLY  70           HA2      GLY  70  61.343   5.917   9.325
  518   2HA   GLY  70           HA1      GLY  70  60.527   7.449   9.006
  519    H    THR  71           HN       THR  71  62.570   8.416   7.147
  520    HA   THR  71           HA       THR  71  61.664   6.926   4.756
  521    HB   THR  71           HB       THR  71  62.667   8.885   3.602
  522    HG1  THR  71           HG1      THR  71  64.191   9.871   4.622
  523   1HG2  THR  71          HG23      THR  71  60.589   8.978   5.636
  524   2HG2  THR  71          HG22      THR  71  61.345  10.554   5.407
  525   3HG2  THR  71          HG21      THR  71  60.619   9.717   4.035
  526    H    VAL  72           HN       VAL  72  63.218   6.156   3.155
  527    HA   VAL  72           HA       VAL  72  65.742   5.188   4.402
  528    HB   VAL  72           HB       VAL  72  64.598   4.441   1.708
  529   1HG1  VAL  72          HG12      VAL  72  66.901   3.696   2.843
  530   2HG1  VAL  72          HG11      VAL  72  65.840   2.536   3.642
  531   3HG1  VAL  72          HG13      VAL  72  65.940   2.574   1.882
  532   1HG2  VAL  72          HG22      VAL  72  63.769   3.392   4.433
  533   2HG2  VAL  72          HG21      VAL  72  62.742   4.262   3.293
  534   3HG2  VAL  72          HG23      VAL  72  63.329   2.647   2.897
  535    H    ASP  73           HN       ASP  73  67.316   6.777   4.136
  536    HA   ASP  73           HA       ASP  73  67.498   8.256   1.573
  537   1HB   ASP  73           HB2      ASP  73  67.694   9.428   3.722
  538   2HB   ASP  73           HB1      ASP  73  69.033   8.380   4.190
  539    H    PHE  74           HN       PHE  74  69.737   8.424   0.577
  540    HA   PHE  74           HA       PHE  74  70.773   6.048  -0.381
  541   1HB   PHE  74           HB2      PHE  74  71.327   8.659  -0.680
  542   2HB   PHE  74           HB1      PHE  74  72.709   8.211   0.322
  543    HD1  PHE  74           HD1      PHE  74  71.021   7.696  -2.911
  544    HD2  PHE  74           HD2      PHE  74  74.396   6.637  -0.475
  545    HE1  PHE  74           HE1      PHE  74  72.133   6.691  -4.888
  546    HE2  PHE  74           HE2      PHE  74  75.508   5.634  -2.451
  547    HZ   PHE  74           HZ       PHE  74  74.377   5.660  -4.657
  548    H    ASP  75           HN       ASP  75  71.457   7.554   2.744
  549    HA   ASP  75           HA       ASP  75  73.708   5.902   3.461
  550   1HB   ASP  75           HB2      ASP  75  72.079   8.004   4.526
  551   2HB   ASP  75           HB1      ASP  75  72.188   6.728   5.740
  552    H    GLU  76           HN       GLU  76  70.414   5.793   4.874
  553    HA   GLU  76           HA       GLU  76  70.750   3.089   5.850
  554   1HB   GLU  76           HB2      GLU  76  68.280   4.796   5.386
  555   2HB   GLU  76           HB1      GLU  76  68.357   3.365   6.415
  556   1HG   GLU  76           HG2      GLU  76  69.798   4.423   7.973
  557   2HG   GLU  76           HG1      GLU  76  70.201   5.716   6.843
  558    H    PHE  77           HN       PHE  77  69.445   4.502   2.894
  559    HA   PHE  77           HA       PHE  77  67.936   2.311   1.902
  560   1HB   PHE  77           HB2      PHE  77  67.904   4.533   0.920
  561   2HB   PHE  77           HB1      PHE  77  69.623   4.434   0.542
  562    HD1  PHE  77           HD1      PHE  77  66.506   2.405  -0.008
  563    HD2  PHE  77           HD2      PHE  77  70.185   3.896  -1.647
  564    HE1  PHE  77           HE1      PHE  77  65.969   1.340  -2.183
  565    HE2  PHE  77           HE2      PHE  77  69.649   2.831  -3.821
  566    HZ   PHE  77           HZ       PHE  77  67.541   1.553  -4.089
  567    H    LEU  78           HN       LEU  78  71.421   3.034   1.601
  568    HA   LEU  78           HA       LEU  78  72.016   0.731  -0.053
  569   1HB   LEU  78           HB2      LEU  78  73.498   2.788   1.550
  570   2HB   LEU  78           HB1      LEU  78  74.382   1.374   0.975
  571    HG   LEU  78           HG       LEU  78  72.744   3.236  -0.773
  572   1HD1  LEU  78          HD13      LEU  78  75.683   3.025  -0.144
  573   2HD1  LEU  78          HD12      LEU  78  75.146   3.647  -1.704
  574   3HD1  LEU  78          HD11      LEU  78  74.667   4.465  -0.217
  575   1HD2  LEU  78          HD22      LEU  78  73.587   0.561  -1.160
  576   2HD2  LEU  78          HD21      LEU  78  72.925   1.658  -2.372
  577   3HD2  LEU  78          HD23      LEU  78  74.669   1.563  -2.128
  578    H    VAL  79           HN       VAL  79  72.462   1.422   3.433
  579    HA   VAL  79           HA       VAL  79  73.607  -1.023   4.241
  580    HB   VAL  79           HB       VAL  79  71.560   0.689   5.689
  581   1HG1  VAL  79          HG11      VAL  79  72.230  -1.561   6.685
  582   2HG1  VAL  79          HG13      VAL  79  73.864  -0.912   6.825
  583   3HG1  VAL  79          HG12      VAL  79  72.536  -0.156   7.706
  584   1HG2  VAL  79          HG22      VAL  79  74.131   1.360   4.648
  585   2HG2  VAL  79          HG21      VAL  79  73.096   2.338   5.688
  586   3HG2  VAL  79          HG23      VAL  79  74.283   1.246   6.401
  587    H    MET  80           HN       MET  80  70.199  -0.233   3.615
  588    HA   MET  80           HA       MET  80  69.070  -2.643   4.707
  589   1HB   MET  80           HB2      MET  80  68.267  -0.258   3.382
  590   2HB   MET  80           HB1      MET  80  67.594  -1.605   2.462
  591   1HG   MET  80           HG2      MET  80  67.377  -1.863   5.402
  592   2HG   MET  80           HG1      MET  80  66.420  -0.563   4.691
  593   1HE   MET  80           HE1      MET  80  65.805  -1.065   2.177
  594   2HE   MET  80           HE3      MET  80  64.713  -2.390   1.754
  595   3HE   MET  80           HE2      MET  80  64.197  -1.150   2.894
  596    H    MET  81           HN       MET  81  70.520  -1.847   1.591
  597    HA   MET  81           HA       MET  81  69.615  -4.276   0.246
  598   1HB   MET  81           HB2      MET  81  71.177  -1.844  -0.277
  599   2HB   MET  81           HB1      MET  81  71.811  -3.263  -1.114
  600   1HG   MET  81           HG2      MET  81  70.054  -3.333  -2.536
  601   2HG   MET  81           HG1      MET  81  68.892  -3.101  -1.229
  602   1HE   MET  81           HE3      MET  81  67.453  -2.089  -2.293
  603   2HE   MET  81           HE2      MET  81  67.310  -0.435  -1.700
  604   3HE   MET  81           HE1      MET  81  67.564  -0.730  -3.419
  605    H    VAL  82           HN       VAL  82  72.900  -3.160   1.197
  606    HA   VAL  82           HA       VAL  82  74.291  -5.559   0.821
  607    HB   VAL  82           HB       VAL  82  75.470  -3.567   1.380
  608   1HG1  VAL  82          HG13      VAL  82  73.449  -3.433   3.577
  609   2HG1  VAL  82          HG12      VAL  82  75.025  -2.695   3.862
  610   3HG1  VAL  82          HG11      VAL  82  74.031  -2.157   2.508
  611   1HG2  VAL  82          HG22      VAL  82  75.792  -5.910   2.921
  612   2HG2  VAL  82          HG21      VAL  82  76.992  -4.647   2.646
  613   3HG2  VAL  82          HG23      VAL  82  75.936  -4.567   4.056
  614    H    ARG  83           HN       ARG  83  71.993  -4.718   3.329
  615    HA   ARG  83           HA       ARG  83  72.663  -6.681   5.295
  616   1HB   ARG  83           HB2      ARG  83  70.361  -4.985   4.499
  617   2HB   ARG  83           HB1      ARG  83  69.952  -6.401   5.470
  618   1HG   ARG  83           HG2      ARG  83  72.078  -5.538   6.872
  619   2HG   ARG  83           HG1      ARG  83  71.545  -3.994   6.208
  620   1HD   ARG  83           HD2      ARG  83  69.413  -4.154   7.245
  621   2HD   ARG  83           HD1      ARG  83  69.607  -5.889   7.559
  622    HE   ARG  83           HE       ARG  83  71.687  -4.232   8.785
  623   1HH1  ARG  83          HH21      ARG  83  71.579  -6.252  10.489
  624   2HH1  ARG  83          HH22      ARG  83  70.273  -6.000  11.598
  625   1HH2  ARG  83          HH11      ARG  83  68.692  -3.635   9.615
  626   2HH2  ARG  83          HH12      ARG  83  68.639  -4.518  11.104
  627    H    CYS  84           HN       CYS  84  69.996  -6.842   2.901
  628    HA   CYS  84           HA       CYS  84  69.490  -9.631   3.196
  629   1HB   CYS  84           HB2      CYS  84  68.075  -7.830   2.110
  630   2HB   CYS  84           HB1      CYS  84  69.162  -7.902   0.723
  631    HG   CYS  84           HG       CYS  84  68.470 -10.534   0.593
  632    H    MET  85           HN       MET  85  72.038  -7.920   1.601
  633    HA   MET  85           HA       MET  85  72.754 -10.040  -0.284
  634   1HB   MET  85           HB2      MET  85  74.065  -7.508   0.744
  635   2HB   MET  85           HB1      MET  85  74.792  -8.525  -0.500
  636   1HG   MET  85           HG2      MET  85  72.307  -8.272  -1.529
  637   2HG   MET  85           HG1      MET  85  72.420  -6.741  -0.660
  638   1HE   MET  85           HE2      MET  85  73.468  -4.965  -1.094
  639   2HE   MET  85           HE1      MET  85  74.525  -4.528  -2.435
  640   3HE   MET  85           HE3      MET  85  72.806  -4.834  -2.721
  641    H    LYS  86           HN       LYS  86  73.865  -8.942   2.916
  642    HA   LYS  86           HA       LYS  86  75.402 -11.506   3.164
  643   1HB   LYS  86           HB2      LYS  86  76.766  -9.403   2.663
  644   2HB   LYS  86           HB1      LYS  86  76.261  -8.809   4.246
  645   1HG   LYS  86           HG2      LYS  86  77.833 -10.061   5.256
  646   2HG   LYS  86           HG1      LYS  86  77.190 -11.521   4.501
  647   1HD   LYS  86           HD2      LYS  86  78.935 -11.605   3.085
  648   2HD   LYS  86           HD1      LYS  86  78.596  -9.966   2.526
  649   1HE   LYS  86           HE2      LYS  86  80.661  -9.543   3.462
  650   2HE   LYS  86           HE1      LYS  86  79.711  -9.428   4.957
  651   1HZ   LYS  86           HZ3      LYS  86  79.953 -11.942   5.051
  652   2HZ   LYS  86           HZ2      LYS  86  81.190 -11.764   3.900
  653   3HZ   LYS  86           HZ1      LYS  86  81.333 -11.030   5.425
  654    H    ASP  87           HN       ASP  87  73.904 -12.503   4.562
  655    HA   ASP  87           HA       ASP  87  73.324 -11.049   7.125
  656   1HB   ASP  87           HB2      ASP  87  71.562 -11.868   5.212
  657   2HB   ASP  87           HB1      ASP  87  71.599 -13.295   6.248
  658    H    ASP  88           HN       ASP  88  72.833 -12.709   8.937
  659    HA   ASP  88           HA       ASP  88  73.541 -14.528  10.272
  660   1HB   ASP  88           HB2      ASP  88  73.205 -15.414   7.587
  661   2HB   ASP  88           HB1      ASP  88  74.669 -16.178   8.205
  662    H    SER  89           HN       SER  89  75.722 -16.109  10.279
  663    HA   SER  89           HA       SER  89  77.997 -14.168  10.172
  664   1HB   SER  89           HB2      SER  89  76.962 -15.729  12.196
  665   2HB   SER  89           HB1      SER  89  78.298 -16.721  11.615
  666    HG   SER  89           HG       SER  89  79.372 -14.447  11.681
   
  No H/Q in entry =         666
  Start of MODEL    2
    1   1H    MET   1           HT2      MET   1  77.438  -0.122  17.733
    2   2H    MET   1           HT1      MET   1  78.875  -1.025  17.648
    3   3H    MET   1           HT3      MET   1  78.563  -0.053  19.004
    4    HA   MET   1           HA       MET   1  79.036   1.908  17.904
    5   1HB   MET   1           HB2      MET   1  80.669  -0.395  16.807
    6   2HB   MET   1           HB1      MET   1  81.127   1.291  16.566
    7   1HG   MET   1           HG2      MET   1  80.816   1.455  19.172
    8   2HG   MET   1           HG1      MET   1  81.029  -0.295  19.115
    9   1HE   MET   1           HE3      MET   1  82.339   2.365  20.183
   10   2HE   MET   1           HE2      MET   1  83.518   1.195  20.770
   11   3HE   MET   1           HE1      MET   1  84.054   2.556  19.788
   12    H    ASP   2           HN       ASP   2  77.785  -0.592  15.851
   13    HA   ASP   2           HA       ASP   2  76.775  -0.486  13.716
   14   1HB   ASP   2           HB2      ASP   2  75.811   1.516  15.087
   15   2HB   ASP   2           HB1      ASP   2  76.849   2.508  14.062
   16    H    ASP   3           HN       ASP   3  79.571  -0.702  13.674
   17    HA   ASP   3           HA       ASP   3  80.331   1.127  11.416
   18   1HB   ASP   3           HB2      ASP   3  81.548   0.489  13.958
   19   2HB   ASP   3           HB1      ASP   3  82.625   0.010  12.646
   20    H    ILE   4           HN       ILE   4  79.521  -2.024  12.210
   21    HA   ILE   4           HA       ILE   4  81.461  -3.427  10.518
   22    HB   ILE   4           HB       ILE   4  78.787  -4.332  11.633
   23   1HG1  ILE   4          HG12      ILE   4  81.469  -4.693  12.972
   24   2HG1  ILE   4          HG11      ILE   4  80.482  -3.266  13.284
   25   1HG2  ILE   4          HG22      ILE   4  81.190  -5.665  10.449
   26   2HG2  ILE   4          HG21      ILE   4  80.330  -6.497  11.746
   27   3HG2  ILE   4          HG23      ILE   4  79.482  -6.063  10.261
   28   1HD1  ILE   4          HD12      ILE   4  78.882  -5.685  13.417
   29   2HD1  ILE   4          HD11      ILE   4  80.242  -5.761  14.536
   30   3HD1  ILE   4          HD13      ILE   4  79.097  -4.424  14.630
   31    H    TYR   5           HN       TYR   5  77.893  -3.100  10.311
   32    HA   TYR   5           HA       TYR   5  77.646  -3.947   7.612
   33   1HB   TYR   5           HB2      TYR   5  76.066  -2.272   9.544
   34   2HB   TYR   5           HB1      TYR   5  75.512  -2.411   7.875
   35    HD1  TYR   5           HD2      TYR   5  76.321  -4.316  10.951
   36    HD2  TYR   5           HD1      TYR   5  74.581  -4.456   7.027
   37    HE1  TYR   5           HE2      TYR   5  75.372  -6.552  11.453
   38    HE2  TYR   5           HE1      TYR   5  73.631  -6.692   7.528
   39    HH   TYR   5           HH       TYR   5  74.116  -8.591   9.067
   40    H    LYS   6           HN       LYS   6  77.994  -0.648   8.958
   41    HA   LYS   6           HA       LYS   6  77.761   0.886   6.629
   42   1HB   LYS   6           HB2      LYS   6  79.035   1.047   9.264
   43   2HB   LYS   6           HB1      LYS   6  79.860   2.027   8.051
   44   1HG   LYS   6           HG2      LYS   6  77.302   2.652   7.455
   45   2HG   LYS   6           HG1      LYS   6  77.123   2.318   9.178
   46   1HD   LYS   6           HD2      LYS   6  78.341   4.146   9.792
   47   2HD   LYS   6           HD1      LYS   6  79.476   3.961   8.453
   48   1HE   LYS   6           HE2      LYS   6  76.641   4.818   7.888
   49   2HE   LYS   6           HE1      LYS   6  77.843   6.011   8.419
   50   1HZ   LYS   6           HZ1      LYS   6  78.741   4.110   6.416
   51   2HZ   LYS   6           HZ3      LYS   6  77.586   5.230   5.880
   52   3HZ   LYS   6           HZ2      LYS   6  79.050   5.775   6.547
   53    H    ALA   7           HN       ALA   7  80.548  -1.015   7.754
   54    HA   ALA   7           HA       ALA   7  82.390  -0.102   5.724
   55   1HB   ALA   7           HB2      ALA   7  82.948  -1.193   7.910
   56   2HB   ALA   7           HB1      ALA   7  82.291  -2.705   7.284
   57   3HB   ALA   7           HB3      ALA   7  83.719  -1.989   6.537
   58    H    ALA   8           HN       ALA   8  79.676  -2.206   5.637
   59    HA   ALA   8           HA       ALA   8  80.619  -3.876   3.415
   60   1HB   ALA   8           HB2      ALA   8  78.546  -3.838   5.368
   61   2HB   ALA   8           HB1      ALA   8  77.764  -3.852   3.787
   62   3HB   ALA   8           HB3      ALA   8  78.912  -5.122   4.215
   63    H    VAL   9           HN       VAL   9  77.982  -1.463   3.763
   64    HA   VAL   9           HA       VAL   9  77.226  -1.199   1.087
   65    HB   VAL   9           HB       VAL   9  77.511   0.828   3.322
   66   1HG1  VAL   9          HG11      VAL   9  76.565   1.109   0.522
   67   2HG1  VAL   9          HG13      VAL   9  75.528   1.815   1.761
   68   3HG1  VAL   9          HG12      VAL   9  77.210   2.329   1.621
   69   1HG2  VAL   9          HG21      VAL   9  75.625  -1.292   2.630
   70   2HG2  VAL   9          HG23      VAL   9  75.779  -0.381   4.132
   71   3HG2  VAL   9          HG22      VAL   9  74.827   0.272   2.799
   72    H    GLU  10           HN       GLU  10  80.161  -0.075   2.639
   73    HA   GLU  10           HA       GLU  10  80.910   1.802   0.533
   74   1HB   GLU  10           HB2      GLU  10  82.156   0.552   2.971
   75   2HB   GLU  10           HB1      GLU  10  83.166   1.463   1.847
   76   1HG   GLU  10           HG2      GLU  10  81.384   3.321   2.043
   77   2HG   GLU  10           HG1      GLU  10  80.810   2.440   3.460
   78    H    GLN  11           HN       GLN  11  81.446  -1.618   1.202
   79    HA   GLN  11           HA       GLN  11  83.671  -2.128  -0.484
   80   1HB   GLN  11           HB2      GLN  11  81.219  -3.774   0.218
   81   2HB   GLN  11           HB1      GLN  11  82.676  -4.440  -0.520
   82   1HG   GLN  11           HG2      GLN  11  82.734  -2.875   2.069
   83   2HG   GLN  11           HG1      GLN  11  82.541  -4.628   2.022
   84   1HE2  GLN  11          HE22      GLN  11  86.223  -3.500   2.126
   85   2HE2  GLN  11          HE21      GLN  11  84.883  -2.897   2.976
   86    H    LEU  12           HN       LEU  12  80.270  -1.609  -1.254
   87    HA   LEU  12           HA       LEU  12  80.019  -2.683  -3.818
   88   1HB   LEU  12           HB2      LEU  12  79.070  -0.037  -2.673
   89   2HB   LEU  12           HB1      LEU  12  78.428  -0.759  -4.148
   90    HG   LEU  12           HG       LEU  12  78.458  -2.177  -1.473
   91   1HD1  LEU  12          HD11      LEU  12  76.252  -0.599  -2.831
   92   2HD1  LEU  12          HD13      LEU  12  76.011  -1.655  -1.440
   93   3HD1  LEU  12          HD12      LEU  12  77.021  -0.218  -1.291
   94   1HD2  LEU  12          HD22      LEU  12  77.278  -2.725  -4.198
   95   2HD2  LEU  12          HD21      LEU  12  78.284  -3.780  -3.204
   96   3HD2  LEU  12          HD23      LEU  12  76.609  -3.472  -2.747
   97    H    THR  13           HN       THR  13  80.466  -1.855  -5.941
   98    HA   THR  13           HA       THR  13  82.890  -0.168  -6.093
   99    HB   THR  13           HB       THR  13  82.483  -0.834  -8.598
  100    HG1  THR  13           HG1      THR  13  80.247  -1.518  -7.806
  101   1HG2  THR  13          HG23      THR  13  83.544  -2.257  -6.305
  102   2HG2  THR  13          HG22      THR  13  82.954  -3.382  -7.529
  103   3HG2  THR  13          HG21      THR  13  84.169  -2.176  -7.952
  104    H    GLU  14           HN       GLU  14  82.923   1.610  -7.780
  105    HA   GLU  14           HA       GLU  14  80.822   3.515  -7.341
  106   1HB   GLU  14           HB2      GLU  14  82.153   4.894  -8.730
  107   2HB   GLU  14           HB1      GLU  14  83.317   3.775  -8.026
  108   1HG   GLU  14           HG2      GLU  14  83.086   2.334 -10.066
  109   2HG   GLU  14           HG1      GLU  14  82.056   3.578 -10.775
  110    H    GLU  15           HN       GLU  15  81.412   1.143  -9.896
  111    HA   GLU  15           HA       GLU  15  79.490   2.113 -11.797
  112   1HB   GLU  15           HB2      GLU  15  79.724  -0.194 -12.691
  113   2HB   GLU  15           HB1      GLU  15  81.293   0.496 -12.272
  114   1HG   GLU  15           HG2      GLU  15  81.492  -1.558 -11.232
  115   2HG   GLU  15           HG1      GLU  15  80.759  -0.635  -9.919
  116    H    GLN  16           HN       GLN  16  79.222   0.089  -8.918
  117    HA   GLN  16           HA       GLN  16  76.434  -0.671  -9.494
  118   1HB   GLN  16           HB2      GLN  16  78.186  -2.092  -8.338
  119   2HB   GLN  16           HB1      GLN  16  78.087  -0.981  -6.971
  120   1HG   GLN  16           HG2      GLN  16  76.139  -1.875  -6.252
  121   2HG   GLN  16           HG1      GLN  16  75.454  -1.885  -7.879
  122   1HE2  GLN  16          HE22      GLN  16  75.767  -5.448  -7.037
  123   2HE2  GLN  16          HE21      GLN  16  74.778  -4.130  -6.626
  124    H    LYS  17           HN       LYS  17  77.967   0.978  -6.697
  125    HA   LYS  17           HA       LYS  17  75.732   2.055  -5.467
  126   1HB   LYS  17           HB2      LYS  17  78.508   3.144  -5.977
  127   2HB   LYS  17           HB1      LYS  17  77.362   3.987  -4.932
  128   1HG   LYS  17           HG2      LYS  17  77.419   2.348  -3.309
  129   2HG   LYS  17           HG1      LYS  17  77.776   1.066  -4.466
  130   1HD   LYS  17           HD2      LYS  17  79.991   1.283  -4.124
  131   2HD   LYS  17           HD1      LYS  17  79.917   3.022  -4.415
  132   1HE   LYS  17           HE2      LYS  17  79.043   3.288  -2.046
  133   2HE   LYS  17           HE1      LYS  17  79.433   1.575  -1.792
  134   1HZ   LYS  17           HZ3      LYS  17  81.430   3.351  -3.021
  135   2HZ   LYS  17           HZ2      LYS  17  81.232   3.377  -1.334
  136   3HZ   LYS  17           HZ1      LYS  17  81.667   1.934  -2.118
  137    H    ASN  18           HN       ASN  18  77.387   3.316  -8.354
  138    HA   ASN  18           HA       ASN  18  75.963   5.765  -8.632
  139   1HB   ASN  18           HB2      ASN  18  77.349   3.824 -10.475
  140   2HB   ASN  18           HB1      ASN  18  76.557   5.258 -11.130
  141   1HD2  ASN  18          HD22      ASN  18  79.905   6.521 -10.503
  142   2HD2  ASN  18          HD21      ASN  18  79.032   5.649 -11.668
  143    H    GLU  19           HN       GLU  19  75.173   2.465  -9.714
  144    HA   GLU  19           HA       GLU  19  72.860   3.129 -11.270
  145   1HB   GLU  19           HB2      GLU  19  74.228   0.803 -10.147
  146   2HB   GLU  19           HB1      GLU  19  72.476   0.594 -10.161
  147   1HG   GLU  19           HG2      GLU  19  72.793  -0.035 -12.325
  148   2HG   GLU  19           HG1      GLU  19  72.897   1.700 -12.628
  149    H    PHE  20           HN       PHE  20  73.330   2.529  -7.808
  150    HA   PHE  20           HA       PHE  20  70.552   2.349  -7.080
  151   1HB   PHE  20           HB2      PHE  20  73.159   2.989  -5.709
  152   2HB   PHE  20           HB1      PHE  20  71.642   3.099  -4.819
  153    HD1  PHE  20           HD1      PHE  20  73.396   0.763  -7.181
  154    HD2  PHE  20           HD2      PHE  20  70.880   1.188  -3.725
  155    HE1  PHE  20           HE1      PHE  20  73.391  -1.698  -6.882
  156    HE2  PHE  20           HE2      PHE  20  70.875  -1.275  -3.426
  157    HZ   PHE  20           HZ       PHE  20  72.132  -2.717  -5.005
  158    H    LYS  21           HN       LYS  21  72.713   5.053  -7.696
  159    HA   LYS  21           HA       LYS  21  71.205   7.124  -6.399
  160   1HB   LYS  21           HB2      LYS  21  73.449   7.562  -7.017
  161   2HB   LYS  21           HB1      LYS  21  73.206   6.950  -8.653
  162   1HG   LYS  21           HG2      LYS  21  72.310   8.916  -9.400
  163   2HG   LYS  21           HG1      LYS  21  71.491   9.241  -7.871
  164   1HD   LYS  21           HD2      LYS  21  73.162  10.890  -7.920
  165   2HD   LYS  21           HD1      LYS  21  73.896   9.621  -6.938
  166   1HE   LYS  21           HE2      LYS  21  75.626  10.028  -8.452
  167   2HE   LYS  21           HE1      LYS  21  74.740   8.765  -9.330
  168   1HZ   LYS  21           HZ3      LYS  21  73.325  10.804 -10.105
  169   2HZ   LYS  21           HZ2      LYS  21  74.747  11.669  -9.762
  170   3HZ   LYS  21           HZ1      LYS  21  74.769  10.411 -10.903
  171    H    ALA  22           HN       ALA  22  71.258   6.042  -9.818
  172    HA   ALA  22           HA       ALA  22  69.335   7.804 -10.874
  173   1HB   ALA  22           HB1      ALA  22  70.816   6.069 -12.012
  174   2HB   ALA  22           HB3      ALA  22  69.624   4.861 -11.535
  175   3HB   ALA  22           HB2      ALA  22  69.167   6.165 -12.631
  176    H    ALA  23           HN       ALA  23  68.695   4.473  -9.691
  177    HA   ALA  23           HA       ALA  23  65.869   4.582  -9.811
  178   1HB   ALA  23           HB1      ALA  23  67.831   2.789  -9.108
  179   2HB   ALA  23           HB3      ALA  23  67.061   3.101  -7.553
  180   3HB   ALA  23           HB2      ALA  23  66.104   2.500  -8.906
  181    H    PHE  24           HN       PHE  24  68.068   5.439  -7.125
  182    HA   PHE  24           HA       PHE  24  66.281   5.969  -5.065
  183   1HB   PHE  24           HB2      PHE  24  68.648   6.211  -4.773
  184   2HB   PHE  24           HB1      PHE  24  68.744   7.434  -6.041
  185    HD1  PHE  24           HD1      PHE  24  67.887   9.715  -5.666
  186    HD2  PHE  24           HD2      PHE  24  67.856   6.762  -2.547
  187    HE1  PHE  24           HE1      PHE  24  67.491  11.496  -3.986
  188    HE2  PHE  24           HE2      PHE  24  67.460   8.543  -0.866
  189    HZ   PHE  24           HZ       PHE  24  67.278  10.909  -1.586
  190    H    ASP  25           HN       ASP  25  67.120   8.163  -7.762
  191    HA   ASP  25           HA       ASP  25  65.354  10.291  -6.913
  192   1HB   ASP  25           HB2      ASP  25  66.674   9.545  -9.540
  193   2HB   ASP  25           HB1      ASP  25  65.826  11.069  -9.274
  194    H    ILE  26           HN       ILE  26  64.706   7.235  -8.249
  195    HA   ILE  26           HA       ILE  26  62.349   8.080  -9.807
  196    HB   ILE  26           HB       ILE  26  63.540   5.394  -9.072
  197   1HG1  ILE  26          HG12      ILE  26  63.797   7.287 -11.409
  198   2HG1  ILE  26          HG11      ILE  26  65.078   6.499 -10.487
  199   1HG2  ILE  26          HG21      ILE  26  61.094   5.320  -9.575
  200   2HG2  ILE  26          HG23      ILE  26  61.423   6.083 -11.131
  201   3HG2  ILE  26          HG22      ILE  26  62.064   4.477 -10.784
  202   1HD1  ILE  26          HD12      ILE  26  64.374   4.309 -11.408
  203   2HD1  ILE  26          HD11      ILE  26  63.129   5.122 -12.355
  204   3HD1  ILE  26          HD13      ILE  26  64.833   5.434 -12.686
  205    H    PHE  27           HN       PHE  27  63.071   6.532  -6.678
  206    HA   PHE  27           HA       PHE  27  60.258   5.955  -6.105
  207   1HB   PHE  27           HB2      PHE  27  62.515   6.123  -4.111
  208   2HB   PHE  27           HB1      PHE  27  61.141   5.021  -4.119
  209    HD1  PHE  27           HD2      PHE  27  60.989   3.583  -6.430
  210    HD2  PHE  27           HD1      PHE  27  64.567   5.211  -4.698
  211    HE1  PHE  27           HE2      PHE  27  62.346   1.903  -7.652
  212    HE2  PHE  27           HE1      PHE  27  65.923   3.533  -5.922
  213    HZ   PHE  27           HZ       PHE  27  64.812   1.879  -7.399
  214    H    VAL  28           HN       VAL  28  62.471   8.618  -5.618
  215    HA   VAL  28           HA       VAL  28  60.795   9.914  -3.571
  216    HB   VAL  28           HB       VAL  28  62.612  11.491  -3.537
  217   1HG1  VAL  28          HG12      VAL  28  63.049   8.648  -3.457
  218   2HG1  VAL  28          HG11      VAL  28  64.500   9.445  -4.066
  219   3HG1  VAL  28          HG13      VAL  28  63.830   9.908  -2.501
  220   1HG2  VAL  28          HG21      VAL  28  63.035  10.451  -6.303
  221   2HG2  VAL  28          HG23      VAL  28  63.134  12.106  -5.701
  222   3HG2  VAL  28          HG22      VAL  28  64.457  10.980  -5.404
  223    H    LEU  29           HN       LEU  29  59.852   9.432  -6.475
  224    HA   LEU  29           HA       LEU  29  59.768  11.810  -7.984
  225   1HB   LEU  29           HB2      LEU  29  57.958   9.450  -7.552
  226   2HB   LEU  29           HB1      LEU  29  57.406  10.777  -8.575
  227    HG   LEU  29           HG       LEU  29  60.151   9.646  -9.007
  228   1HD1  LEU  29          HD11      LEU  29  58.225   7.840  -8.899
  229   2HD1  LEU  29          HD13      LEU  29  57.803   8.498 -10.480
  230   3HD1  LEU  29          HD12      LEU  29  59.402   7.802 -10.212
  231   1HD2  LEU  29          HD21      LEU  29  58.013  10.857 -10.792
  232   2HD2  LEU  29          HD23      LEU  29  59.479  11.660 -10.228
  233   3HD2  LEU  29          HD22      LEU  29  59.592  10.304 -11.350
  234    H    GLY  30           HN       GLY  30  59.593  13.601  -6.460
  235   1HA   GLY  30           HA2      GLY  30  58.251  15.327  -5.554
  236   2HA   GLY  30           HA1      GLY  30  56.825  14.337  -5.874
  237    H    ALA  31           HN       ALA  31  59.454  12.873  -4.167
  238    HA   ALA  31           HA       ALA  31  57.982  11.982  -1.961
  239   1HB   ALA  31           HB2      ALA  31  60.810  12.455  -2.686
  240   2HB   ALA  31           HB1      ALA  31  60.504  12.347  -0.952
  241   3HB   ALA  31           HB3      ALA  31  60.050  11.013  -2.013
  242    H    GLU  32           HN       GLU  32  58.733  12.780   0.415
  243    HA   GLU  32           HA       GLU  32  57.545  15.391   0.797
  244   1HB   GLU  32           HB2      GLU  32  59.175  13.644   2.671
  245   2HB   GLU  32           HB1      GLU  32  58.038  14.907   3.148
  246   1HG   GLU  32           HG2      GLU  32  56.239  13.621   1.920
  247   2HG   GLU  32           HG1      GLU  32  57.400  12.306   1.734
  248    H    ASP  33           HN       ASP  33  60.889  14.159   0.878
  249    HA   ASP  33           HA       ASP  33  61.865  16.955   0.564
  250   1HB   ASP  33           HB2      ASP  33  63.499  16.507   2.426
  251   2HB   ASP  33           HB1      ASP  33  61.820  16.541   2.964
  252    H    GLY  34           HN       GLY  34  61.759  14.456  -1.129
  253   1HA   GLY  34           HA2      GLY  34  63.233  13.651  -2.801
  254   2HA   GLY  34           HA1      GLY  34  64.544  14.545  -2.031
  255    H    CYS  35           HN       CYS  35  62.385  12.172  -0.513
  256    HA   CYS  35           HA       CYS  35  64.775  10.407  -0.086
  257   1HB   CYS  35           HB2      CYS  35  62.883  11.725   1.740
  258   2HB   CYS  35           HB1      CYS  35  63.086  10.004   2.064
  259    HG   CYS  35           HG       CYS  35  64.971  11.630   3.230
  260    H    ILE  36           HN       ILE  36  63.980   8.119   0.587
  261    HA   ILE  36           HA       ILE  36  61.669   7.373  -1.170
  262    HB   ILE  36           HB       ILE  36  63.782   5.476  -0.161
  263   1HG1  ILE  36          HG12      ILE  36  64.092   7.391  -2.501
  264   2HG1  ILE  36          HG11      ILE  36  65.028   7.434  -1.006
  265   1HG2  ILE  36          HG22      ILE  36  61.713   5.580  -2.243
  266   2HG2  ILE  36          HG21      ILE  36  63.271   5.007  -2.837
  267   3HG2  ILE  36          HG23      ILE  36  62.482   4.182  -1.490
  268   1HD1  ILE  36          HD13      ILE  36  64.964   4.841  -2.466
  269   2HD1  ILE  36          HD12      ILE  36  65.893   6.145  -3.205
  270   3HD1  ILE  36          HD11      ILE  36  66.285   5.598  -1.575
  271    H    SER  37           HN       SER  37  59.949   7.442   0.317
  272    HA   SER  37           HA       SER  37  60.081   6.579   3.049
  273   1HB   SER  37           HB2      SER  37  58.293   7.824   1.329
  274   2HB   SER  37           HB1      SER  37  57.495   6.296   1.694
  275    HG   SER  37           HG       SER  37  58.675   7.865   3.721
  276    H    THR  38           HN       THR  38  59.277   4.602   3.988
  277    HA   THR  38           HA       THR  38  60.023   2.170   2.787
  278    HB   THR  38           HB       THR  38  58.572   1.188   4.567
  279    HG1  THR  38           HG1      THR  38  57.365   2.657   5.823
  280   1HG2  THR  38          HG22      THR  38  60.754   2.947   4.868
  281   2HG2  THR  38          HG21      THR  38  59.608   3.377   6.138
  282   3HG2  THR  38          HG23      THR  38  60.206   1.722   6.013
  283    H    LYS  39           HN       LYS  39  56.825   3.761   2.806
  284    HA   LYS  39           HA       LYS  39  55.234   1.815   1.584
  285   1HB   LYS  39           HB2      LYS  39  55.361   4.816   1.130
  286   2HB   LYS  39           HB1      LYS  39  53.988   3.797   0.692
  287   1HG   LYS  39           HG2      LYS  39  53.644   3.170   3.013
  288   2HG   LYS  39           HG1      LYS  39  55.107   4.025   3.500
  289   1HD   LYS  39           HD2      LYS  39  53.477   5.850   2.025
  290   2HD   LYS  39           HD1      LYS  39  52.459   5.070   3.237
  291   1HE   LYS  39           HE2      LYS  39  54.804   5.592   4.638
  292   2HE   LYS  39           HE1      LYS  39  54.602   7.029   3.617
  293   1HZ   LYS  39           HZ1      LYS  39  52.225   7.033   4.291
  294   2HZ   LYS  39           HZ3      LYS  39  52.576   5.812   5.416
  295   3HZ   LYS  39           HZ2      LYS  39  53.296   7.344   5.573
  296    H    GLU  40           HN       GLU  40  57.754   3.816   0.156
  297    HA   GLU  40           HA       GLU  40  57.096   2.928  -2.594
  298   1HB   GLU  40           HB2      GLU  40  58.650   5.016  -1.228
  299   2HB   GLU  40           HB1      GLU  40  59.488   4.334  -2.622
  300   1HG   GLU  40           HG2      GLU  40  58.242   5.872  -3.769
  301   2HG   GLU  40           HG1      GLU  40  57.005   4.618  -3.669
  302    H    LEU  41           HN       LEU  41  59.407   2.300  -0.015
  303    HA   LEU  41           HA       LEU  41  61.516   1.021  -1.323
  304   1HB   LEU  41           HB2      LEU  41  61.232   1.480   1.125
  305   2HB   LEU  41           HB1      LEU  41  60.096   0.134   1.210
  306    HG   LEU  41           HG       LEU  41  62.521  -0.383   1.861
  307   1HD1  LEU  41          HD13      LEU  41  60.565  -1.882   0.501
  308   2HD1  LEU  41          HD12      LEU  41  62.089  -2.259  -0.303
  309   3HD1  LEU  41          HD11      LEU  41  61.923  -2.511   1.434
  310   1HD2  LEU  41          HD23      LEU  41  63.420   0.956  -0.123
  311   2HD2  LEU  41          HD22      LEU  41  64.136  -0.639   0.112
  312   3HD2  LEU  41          HD21      LEU  41  62.918  -0.395  -1.141
  313    H    GLY  42           HN       GLY  42  58.301  -0.298  -0.542
  314   1HA   GLY  42           HA2      GLY  42  58.796  -2.995  -1.304
  315   2HA   GLY  42           HA1      GLY  42  57.211  -2.220  -1.336
  316    H    LYS  43           HN       LYS  43  57.427  -0.304  -3.236
  317    HA   LYS  43           HA       LYS  43  57.264  -1.735  -5.705
  318   1HB   LYS  43           HB2      LYS  43  57.119   1.012  -4.680
  319   2HB   LYS  43           HB1      LYS  43  57.736   0.929  -6.331
  320   1HG   LYS  43           HG2      LYS  43  55.439  -0.838  -5.859
  321   2HG   LYS  43           HG1      LYS  43  55.066   0.872  -5.636
  322   1HD   LYS  43           HD2      LYS  43  54.980   1.114  -7.870
  323   2HD   LYS  43           HD1      LYS  43  56.691   0.690  -7.954
  324   1HE   LYS  43           HE2      LYS  43  56.149  -1.259  -8.970
  325   2HE   LYS  43           HE1      LYS  43  55.177  -1.723  -7.558
  326   1HZ   LYS  43           HZ1      LYS  43  54.266   0.131  -9.695
  327   2HZ   LYS  43           HZ3      LYS  43  53.839  -1.508  -9.608
  328   3HZ   LYS  43           HZ2      LYS  43  53.345  -0.437  -8.385
  329    H    VAL  44           HN       VAL  44  59.916  -0.001  -4.136
  330    HA   VAL  44           HA       VAL  44  61.711   0.123  -6.368
  331    HB   VAL  44           HB       VAL  44  62.278  -0.139  -3.396
  332   1HG1  VAL  44          HG11      VAL  44  63.931   0.314  -5.755
  333   2HG1  VAL  44          HG13      VAL  44  64.071   1.636  -4.596
  334   3HG1  VAL  44          HG12      VAL  44  64.421  -0.019  -4.093
  335   1HG2  VAL  44          HG22      VAL  44  60.923   1.912  -4.929
  336   2HG2  VAL  44          HG21      VAL  44  61.195   1.830  -3.188
  337   3HG2  VAL  44          HG23      VAL  44  62.414   2.550  -4.238
  338    H    MET  45           HN       MET  45  61.121  -2.366  -3.896
  339    HA   MET  45           HA       MET  45  63.304  -4.095  -4.683
  340   1HB   MET  45           HB2      MET  45  60.710  -4.467  -3.157
  341   2HB   MET  45           HB1      MET  45  61.924  -5.739  -3.310
  342   1HG   MET  45           HG2      MET  45  63.038  -3.147  -2.482
  343   2HG   MET  45           HG1      MET  45  61.889  -3.824  -1.328
  344   1HE   MET  45           HE1      MET  45  64.937  -3.120  -1.763
  345   2HE   MET  45           HE3      MET  45  65.981  -4.355  -1.045
  346   3HE   MET  45           HE2      MET  45  65.688  -4.344  -2.783
  347    H    ARG  46           HN       ARG  46  59.800  -4.081  -5.409
  348    HA   ARG  46           HA       ARG  46  59.547  -6.417  -6.909
  349   1HB   ARG  46           HB2      ARG  46  58.340  -3.679  -6.950
  350   2HB   ARG  46           HB1      ARG  46  57.926  -4.781  -8.264
  351   1HG   ARG  46           HG2      ARG  46  57.499  -6.507  -6.346
  352   2HG   ARG  46           HG1      ARG  46  57.396  -5.078  -5.318
  353   1HD   ARG  46           HD2      ARG  46  55.638  -4.140  -6.796
  354   2HD   ARG  46           HD1      ARG  46  55.725  -5.599  -7.803
  355    HE   ARG  46           HE       ARG  46  55.252  -6.822  -5.534
  356   1HH1  ARG  46          HH21      ARG  46  54.530  -5.272  -3.506
  357   2HH1  ARG  46          HH22      ARG  46  52.939  -4.653  -3.802
  358   1HH2  ARG  46          HH11      ARG  46  53.013  -5.353  -7.198
  359   2HH2  ARG  46          HH12      ARG  46  52.079  -4.701  -5.894
  360    H    MET  47           HN       MET  47  60.439  -3.193  -8.227
  361    HA   MET  47           HA       MET  47  61.113  -4.292 -10.839
  362   1HB   MET  47           HB2      MET  47  61.750  -1.984 -11.297
  363   2HB   MET  47           HB1      MET  47  60.265  -1.979 -10.346
  364   1HG   MET  47           HG2      MET  47  61.690  -1.708  -8.281
  365   2HG   MET  47           HG1      MET  47  63.079  -1.483  -9.345
  366   1HE   MET  47           HE2      MET  47  63.071   0.129 -11.317
  367   2HE   MET  47           HE1      MET  47  62.791   1.823 -10.924
  368   3HE   MET  47           HE3      MET  47  63.866   0.843  -9.916
  369    H    LEU  48           HN       LEU  48  63.013  -3.097  -8.047
  370    HA   LEU  48           HA       LEU  48  65.618  -3.239  -8.995
  371   1HB   LEU  48           HB2      LEU  48  64.239  -3.858  -6.413
  372   2HB   LEU  48           HB1      LEU  48  65.946  -4.279  -6.549
  373    HG   LEU  48           HG       LEU  48  64.871  -1.539  -7.252
  374   1HD1  LEU  48          HD11      LEU  48  65.848  -2.678  -4.636
  375   2HD1  LEU  48          HD13      LEU  48  66.023  -0.962  -4.999
  376   3HD1  LEU  48          HD12      LEU  48  64.419  -1.690  -4.941
  377   1HD2  LEU  48          HD21      LEU  48  67.533  -2.872  -7.128
  378   2HD2  LEU  48          HD23      LEU  48  66.966  -1.595  -8.203
  379   3HD2  LEU  48          HD22      LEU  48  67.456  -1.207  -6.554
  380    H    GLY  49           HN       GLY  49  63.816  -5.994  -7.585
  381   1HA   GLY  49           HA2      GLY  49  64.072  -8.062  -9.193
  382   2HA   GLY  49           HA1      GLY  49  65.785  -7.845  -8.829
  383    H    GLN  50           HN       GLN  50  63.156  -7.326  -6.514
  384    HA   GLN  50           HA       GLN  50  63.929  -9.840  -5.097
  385   1HB   GLN  50           HB2      GLN  50  63.886  -7.009  -4.013
  386   2HB   GLN  50           HB1      GLN  50  64.023  -8.444  -2.996
  387   1HG   GLN  50           HG2      GLN  50  66.265  -8.061  -3.294
  388   2HG   GLN  50           HG1      GLN  50  65.981  -8.982  -4.772
  389   1HE2  GLN  50          HE22      GLN  50  67.619  -6.035  -6.112
  390   2HE2  GLN  50          HE21      GLN  50  67.980  -7.540  -5.412
  391    H    ASN  51           HN       ASN  51  62.321 -10.357  -3.346
  392    HA   ASN  51           HA       ASN  51  59.632  -9.135  -3.849
  393   1HB   ASN  51           HB2      ASN  51  60.293 -11.447  -4.950
  394   2HB   ASN  51           HB1      ASN  51  59.984 -12.072  -3.329
  395   1HD2  ASN  51          HD22      ASN  51  56.640 -12.337  -4.620
  396   2HD2  ASN  51          HD21      ASN  51  58.079 -13.210  -4.393
  397    HA   PRO  52           HA       PRO  52  60.769  -9.414   0.658
  398   1HB   PRO  52           HB2      PRO  52  60.180  -6.799   1.229
  399   2HB   PRO  52           HB1      PRO  52  61.778  -7.334   0.671
  400   1HG   PRO  52           HG2      PRO  52  59.568  -6.056  -0.864
  401   2HG   PRO  52           HG1      PRO  52  61.316  -5.794  -0.971
  402   1HD   PRO  52           HD2      PRO  52  59.928  -7.310  -2.752
  403   2HD   PRO  52           HD1      PRO  52  61.637  -7.599  -2.354
  404    H    THR  53           HN       THR  53  59.223  -9.470   2.394
  405    HA   THR  53           HA       THR  53  56.446  -9.793   1.560
  406    HB   THR  53           HB       THR  53  56.614  -9.822   4.354
  407    HG1  THR  53           HG1      THR  53  58.881 -11.162   3.408
  408   1HG2  THR  53          HG22      THR  53  56.436 -11.708   2.126
  409   2HG2  THR  53          HG21      THR  53  57.211 -12.405   3.549
  410   3HG2  THR  53          HG23      THR  53  55.592 -11.716   3.674
  411    HA   PRO  54           HA       PRO  54  54.825  -5.890   2.729
  412   1HB   PRO  54           HB2      PRO  54  52.568  -6.521   4.141
  413   2HB   PRO  54           HB1      PRO  54  52.702  -6.740   2.384
  414   1HG   PRO  54           HG2      PRO  54  52.912  -8.748   4.563
  415   2HG   PRO  54           HG1      PRO  54  52.204  -8.902   2.949
  416   1HD   PRO  54           HD2      PRO  54  54.675  -9.870   3.650
  417   2HD   PRO  54           HD1      PRO  54  54.201  -9.447   1.990
  418    H    GLU  55           HN       GLU  55  54.711  -8.154   5.505
  419    HA   GLU  55           HA       GLU  55  54.805  -6.082   7.521
  420   1HB   GLU  55           HB2      GLU  55  55.104  -9.054   7.331
  421   2HB   GLU  55           HB1      GLU  55  55.647  -8.265   8.813
  422   1HG   GLU  55           HG2      GLU  55  53.526  -7.689   9.445
  423   2HG   GLU  55           HG1      GLU  55  52.999  -7.405   7.785
  424    H    GLU  56           HN       GLU  56  57.236  -7.774   5.644
  425    HA   GLU  56           HA       GLU  56  59.477  -7.103   7.391
  426   1HB   GLU  56           HB2      GLU  56  59.030  -8.269   4.656
  427   2HB   GLU  56           HB1      GLU  56  60.660  -7.806   5.142
  428   1HG   GLU  56           HG2      GLU  56  58.869  -9.618   6.781
  429   2HG   GLU  56           HG1      GLU  56  60.087 -10.207   5.649
  430    H    LEU  57           HN       LEU  57  57.956  -5.674   4.528
  431    HA   LEU  57           HA       LEU  57  59.825  -3.889   3.561
  432   1HB   LEU  57           HB2      LEU  57  57.093  -4.269   3.424
  433   2HB   LEU  57           HB1      LEU  57  57.215  -2.650   4.115
  434    HG   LEU  57           HG       LEU  57  59.099  -2.472   2.174
  435   1HD1  LEU  57          HD11      LEU  57  57.250  -4.686   1.455
  436   2HD1  LEU  57          HD13      LEU  57  57.601  -3.516   0.184
  437   3HD1  LEU  57          HD12      LEU  57  58.917  -4.405   0.952
  438   1HD2  LEU  57          HD23      LEU  57  56.203  -1.823   2.367
  439   2HD2  LEU  57          HD22      LEU  57  57.578  -0.754   2.092
  440   3HD2  LEU  57          HD21      LEU  57  56.921  -1.704   0.761
  441    H    GLN  58           HN       GLN  58  57.543  -2.933   6.165
  442    HA   GLN  58           HA       GLN  58  59.192  -0.651   6.913
  443   1HB   GLN  58           HB2      GLN  58  56.787  -0.567   7.105
  444   2HB   GLN  58           HB1      GLN  58  56.764  -2.028   8.094
  445   1HG   GLN  58           HG2      GLN  58  56.518  -0.122   9.569
  446   2HG   GLN  58           HG1      GLN  58  58.127  -0.800   9.815
  447   1HE2  GLN  58          HE22      GLN  58  59.755   2.170   8.865
  448   2HE2  GLN  58          HE21      GLN  58  59.862   0.637   9.587
  449    H    GLU  59           HN       GLU  59  59.140  -3.999   7.798
  450    HA   GLU  59           HA       GLU  59  60.204  -3.713  10.485
  451   1HB   GLU  59           HB2      GLU  59  58.959  -5.675   9.418
  452   2HB   GLU  59           HB1      GLU  59  60.467  -6.059   8.590
  453   1HG   GLU  59           HG2      GLU  59  61.153  -7.154  10.431
  454   2HG   GLU  59           HG1      GLU  59  61.136  -5.623  11.307
  455    H    MET  60           HN       MET  60  61.724  -4.736   7.396
  456    HA   MET  60           HA       MET  60  64.407  -4.764   8.405
  457   1HB   MET  60           HB2      MET  60  62.946  -4.984   5.874
  458   2HB   MET  60           HB1      MET  60  64.529  -4.231   5.677
  459   1HG   MET  60           HG2      MET  60  64.456  -6.609   7.442
  460   2HG   MET  60           HG1      MET  60  64.158  -6.919   5.732
  461   1HE   MET  60           HE1      MET  60  66.277  -8.151   7.285
  462   2HE   MET  60           HE3      MET  60  66.584  -8.393   5.559
  463   3HE   MET  60           HE2      MET  60  67.882  -7.853   6.622
  464    H    ILE  61           HN       ILE  61  62.380  -2.191   7.097
  465    HA   ILE  61           HA       ILE  61  64.579  -0.288   6.772
  466    HB   ILE  61           HB       ILE  61  61.556  -0.198   6.713
  467   1HG1  ILE  61          HG12      ILE  61  63.536   0.433   4.518
  468   2HG1  ILE  61          HG11      ILE  61  63.017  -1.222   4.845
  469   1HG2  ILE  61          HG23      ILE  61  63.522   2.021   6.853
  470   2HG2  ILE  61          HG22      ILE  61  62.288   2.166   5.602
  471   3HG2  ILE  61          HG21      ILE  61  61.815   2.000   7.293
  472   1HD1  ILE  61          HD11      ILE  61  60.642   0.253   4.815
  473   2HD1  ILE  61          HD13      ILE  61  61.587   0.919   3.483
  474   3HD1  ILE  61          HD12      ILE  61  61.229  -0.807   3.534
  475    H    ASP  62           HN       ASP  62  62.520  -1.316   9.370
  476    HA   ASP  62           HA       ASP  62  62.840   1.142  10.955
  477   1HB   ASP  62           HB2      ASP  62  60.818  -0.331  10.958
  478   2HB   ASP  62           HB1      ASP  62  61.794  -1.617  11.669
  479    H    GLU  63           HN       GLU  63  64.834  -1.486  10.262
  480    HA   GLU  63           HA       GLU  63  66.244  -1.230  12.901
  481   1HB   GLU  63           HB2      GLU  63  67.024  -3.541  12.424
  482   2HB   GLU  63           HB1      GLU  63  65.262  -3.443  12.446
  483   1HG   GLU  63           HG2      GLU  63  65.095  -3.602  10.112
  484   2HG   GLU  63           HG1      GLU  63  66.767  -3.096   9.863
  485    H    VAL  64           HN       VAL  64  66.426  -0.370   9.664
  486    HA   VAL  64           HA       VAL  64  69.423  -0.470   9.665
  487    HB   VAL  64           HB       VAL  64  68.081  -1.675   7.883
  488   1HG1  VAL  64          HG13      VAL  64  66.734   0.821   7.829
  489   2HG1  VAL  64          HG12      VAL  64  67.562   0.659   6.281
  490   3HG1  VAL  64          HG11      VAL  64  66.431  -0.586   6.810
  491   1HG2  VAL  64          HG23      VAL  64  70.445  -0.330   7.700
  492   2HG2  VAL  64          HG22      VAL  64  69.769  -1.295   6.388
  493   3HG2  VAL  64          HG21      VAL  64  69.529   0.452   6.412
  494    H    ASP  65           HN       ASP  65  66.661   1.616   9.731
  495    HA   ASP  65           HA       ASP  65  67.700   3.978   8.520
  496   1HB   ASP  65           HB2      ASP  65  65.344   3.326   9.411
  497   2HB   ASP  65           HB1      ASP  65  65.931   3.917  10.966
  498    H    GLU  66           HN       GLU  66  69.836   4.487   9.129
  499    HA   GLU  66           HA       GLU  66  70.836   4.350  11.831
  500   1HB   GLU  66           HB2      GLU  66  71.882   4.574   9.342
  501   2HB   GLU  66           HB1      GLU  66  71.997   6.256   9.863
  502   1HG   GLU  66           HG2      GLU  66  73.284   5.643  11.809
  503   2HG   GLU  66           HG1      GLU  66  73.009   3.926  11.513
  504    H    ASP  67           HN       ASP  67  69.948   7.173   9.800
  505    HA   ASP  67           HA       ASP  67  70.105   9.025  12.039
  506   1HB   ASP  67           HB2      ASP  67  69.407  10.625  10.368
  507   2HB   ASP  67           HB1      ASP  67  70.497   9.485   9.577
  508    H    GLY  68           HN       GLY  68  67.801   6.725  11.139
  509   1HA   GLY  68           HA2      GLY  68  65.516   6.450  11.636
  510   2HA   GLY  68           HA1      GLY  68  65.946   7.260  13.143
  511    H    SER  69           HN       SER  69  66.057   8.649   9.878
  512    HA   SER  69           HA       SER  69  64.630  11.027  10.749
  513   1HB   SER  69           HB2      SER  69  64.821  11.519   8.262
  514   2HB   SER  69           HB1      SER  69  66.347  11.154   9.062
  515    HG   SER  69           HG       SER  69  64.770   9.537   7.367
  516    H    GLY  70           HN       GLY  70  63.598   7.935   9.801
  517   1HA   GLY  70           HA2      GLY  70  61.210   7.392   9.929
  518   2HA   GLY  70           HA1      GLY  70  60.856   8.999   9.293
  519    H    THR  71           HN       THR  71  62.921   8.874   7.221
  520    HA   THR  71           HA       THR  71  61.598   6.899   5.389
  521    HB   THR  71           HB       THR  71  62.220   8.597   3.636
  522    HG1  THR  71           HG1      THR  71  62.761  10.693   4.574
  523   1HG2  THR  71          HG21      THR  71  60.007   8.529   4.951
  524   2HG2  THR  71          HG23      THR  71  60.649   9.900   5.857
  525   3HG2  THR  71          HG22      THR  71  60.399  10.032   4.116
  526    H    VAL  72           HN       VAL  72  63.110   6.273   3.515
  527    HA   VAL  72           HA       VAL  72  65.809   5.661   4.634
  528    HB   VAL  72           HB       VAL  72  64.544   4.507   2.143
  529   1HG1  VAL  72          HG12      VAL  72  66.587   3.619   4.183
  530   2HG1  VAL  72          HG11      VAL  72  65.821   2.478   3.078
  531   3HG1  VAL  72          HG13      VAL  72  66.793   3.806   2.441
  532   1HG2  VAL  72          HG21      VAL  72  63.560   4.322   4.879
  533   2HG2  VAL  72          HG23      VAL  72  62.841   3.700   3.394
  534   3HG2  VAL  72          HG22      VAL  72  64.036   2.740   4.264
  535    H    ASP  73           HN       ASP  73  67.422   7.007   3.934
  536    HA   ASP  73           HA       ASP  73  67.086   8.528   1.412
  537   1HB   ASP  73           HB2      ASP  73  68.028   9.154   3.878
  538   2HB   ASP  73           HB1      ASP  73  69.539   8.728   3.074
  539    H    PHE  74           HN       PHE  74  69.714   8.790   0.587
  540    HA   PHE  74           HA       PHE  74  70.164   6.305  -0.842
  541   1HB   PHE  74           HB2      PHE  74  70.595   8.648  -1.654
  542   2HB   PHE  74           HB1      PHE  74  71.942   8.743  -0.519
  543    HD1  PHE  74           HD1      PHE  74  70.601   6.598  -3.285
  544    HD2  PHE  74           HD2      PHE  74  74.066   8.004  -1.171
  545    HE1  PHE  74           HE1      PHE  74  72.065   5.440  -4.916
  546    HE2  PHE  74           HE2      PHE  74  75.531   6.847  -2.803
  547    HZ   PHE  74           HZ       PHE  74  74.532   5.564  -4.676
  548    H    ASP  75           HN       ASP  75  71.201   7.520   2.220
  549    HA   ASP  75           HA       ASP  75  73.657   5.885   2.324
  550   1HB   ASP  75           HB2      ASP  75  72.548   8.163   3.613
  551   2HB   ASP  75           HB1      ASP  75  72.762   6.930   4.855
  552    H    GLU  76           HN       GLU  76  70.429   5.921   3.854
  553    HA   GLU  76           HA       GLU  76  70.928   3.405   5.286
  554   1HB   GLU  76           HB2      GLU  76  68.402   5.024   4.818
  555   2HB   GLU  76           HB1      GLU  76  68.630   3.792   6.060
  556   1HG   GLU  76           HG2      GLU  76  69.511   5.333   7.437
  557   2HG   GLU  76           HG1      GLU  76  70.789   5.649   6.264
  558    H    PHE  77           HN       PHE  77  69.311   4.463   2.334
  559    HA   PHE  77           HA       PHE  77  67.737   2.182   1.754
  560   1HB   PHE  77           HB2      PHE  77  67.655   4.296   0.521
  561   2HB   PHE  77           HB1      PHE  77  69.309   4.057  -0.046
  562    HD1  PHE  77           HD2      PHE  77  66.626   1.494   0.286
  563    HD2  PHE  77           HD1      PHE  77  69.019   3.845  -2.396
  564    HE1  PHE  77           HE2      PHE  77  65.779   0.169  -1.630
  565    HE2  PHE  77           HE1      PHE  77  68.172   2.519  -4.314
  566    HZ   PHE  77           HZ       PHE  77  66.553   0.681  -3.931
  567    H    LEU  78           HN       LEU  78  71.205   2.760   1.301
  568    HA   LEU  78           HA       LEU  78  71.715   0.394  -0.287
  569   1HB   LEU  78           HB2      LEU  78  73.215   2.512   1.170
  570   2HB   LEU  78           HB1      LEU  78  74.094   1.020   0.835
  571    HG   LEU  78           HG       LEU  78  72.635   2.716  -1.215
  572   1HD1  LEU  78          HD13      LEU  78  75.537   2.351  -0.471
  573   2HD1  LEU  78          HD12      LEU  78  75.068   2.880  -2.086
  574   3HD1  LEU  78          HD11      LEU  78  74.638   3.854  -0.681
  575   1HD2  LEU  78          HD23      LEU  78  73.738  -0.028  -1.228
  576   2HD2  LEU  78          HD22      LEU  78  72.533   0.705  -2.288
  577   3HD2  LEU  78          HD21      LEU  78  74.251   0.977  -2.583
  578    H    VAL  79           HN       VAL  79  72.251   1.139   3.184
  579    HA   VAL  79           HA       VAL  79  73.339  -1.268   4.069
  580    HB   VAL  79           HB       VAL  79  71.158   0.368   5.406
  581   1HG1  VAL  79          HG12      VAL  79  73.344  -1.456   6.440
  582   2HG1  VAL  79          HG11      VAL  79  72.479  -0.315   7.471
  583   3HG1  VAL  79          HG13      VAL  79  71.604  -1.623   6.674
  584   1HG2  VAL  79          HG23      VAL  79  74.060   0.863   4.864
  585   2HG2  VAL  79          HG22      VAL  79  72.719   2.007   4.905
  586   3HG2  VAL  79          HG21      VAL  79  73.404   1.397   6.412
  587    H    MET  80           HN       MET  80  69.843  -0.533   3.719
  588    HA   MET  80           HA       MET  80  68.767  -2.987   4.563
  589   1HB   MET  80           HB2      MET  80  67.973  -0.638   3.191
  590   2HB   MET  80           HB1      MET  80  67.429  -1.994   2.200
  591   1HG   MET  80           HG2      MET  80  66.959  -2.455   5.046
  592   2HG   MET  80           HG1      MET  80  66.140  -1.007   4.463
  593   1HE   MET  80           HE3      MET  80  65.464  -1.255   1.711
  594   2HE   MET  80           HE2      MET  80  63.953  -2.154   1.587
  595   3HE   MET  80           HE1      MET  80  64.153  -0.952   2.860
  596    H    MET  81           HN       MET  81  69.937  -2.091   1.305
  597    HA   MET  81           HA       MET  81  69.366  -4.561   0.003
  598   1HB   MET  81           HB2      MET  81  71.147  -2.195  -0.359
  599   2HB   MET  81           HB1      MET  81  71.514  -3.623  -1.327
  600   1HG   MET  81           HG2      MET  81  68.655  -3.033  -1.283
  601   2HG   MET  81           HG1      MET  81  69.601  -1.692  -1.929
  602   1HE   MET  81           HE1      MET  81  67.434  -3.735  -3.005
  603   2HE   MET  81           HE3      MET  81  67.902  -2.568  -4.249
  604   3HE   MET  81           HE2      MET  81  67.914  -4.295  -4.605
  605    H    VAL  82           HN       VAL  82  72.567  -3.425   1.166
  606    HA   VAL  82           HA       VAL  82  73.972  -5.850   0.899
  607    HB   VAL  82           HB       VAL  82  75.004  -3.693   1.393
  608   1HG1  VAL  82          HG13      VAL  82  73.457  -3.936   3.984
  609   2HG1  VAL  82          HG12      VAL  82  74.769  -2.782   3.747
  610   3HG1  VAL  82          HG11      VAL  82  73.309  -2.671   2.762
  611   1HG2  VAL  82          HG23      VAL  82  75.502  -6.098   2.939
  612   2HG2  VAL  82          HG22      VAL  82  76.661  -4.946   2.275
  613   3HG2  VAL  82          HG21      VAL  82  75.944  -4.662   3.862
  614    H    ARG  83           HN       ARG  83  71.734  -4.812   3.416
  615    HA   ARG  83           HA       ARG  83  72.393  -6.924   5.302
  616   1HB   ARG  83           HB2      ARG  83  70.262  -4.844   4.911
  617   2HB   ARG  83           HB1      ARG  83  70.019  -6.102   6.123
  618   1HG   ARG  83           HG2      ARG  83  72.577  -5.381   6.687
  619   2HG   ARG  83           HG1      ARG  83  71.937  -3.844   6.104
  620   1HD   ARG  83           HD2      ARG  83  69.955  -4.220   7.688
  621   2HD   ARG  83           HD1      ARG  83  70.924  -5.515   8.419
  622    HE   ARG  83           HE       ARG  83  72.363  -2.979   8.088
  623   1HH1  ARG  83          HH11      ARG  83  69.806  -4.146   9.972
  624   2HH1  ARG  83          HH12      ARG  83  70.539  -3.769  11.495
  625   1HH2  ARG  83          HH21      ARG  83  73.575  -2.838  10.104
  626   2HH2  ARG  83          HH22      ARG  83  72.673  -3.029  11.569
  627    H    CYS  84           HN       CYS  84  70.316  -6.666   2.498
  628    HA   CYS  84           HA       CYS  84  68.794  -9.108   3.219
  629   1HB   CYS  84           HB2      CYS  84  67.603  -7.227   2.251
  630   2HB   CYS  84           HB1      CYS  84  68.735  -7.152   0.901
  631    HG   CYS  84           HG       CYS  84  67.379  -8.864  -0.252
  632    H    MET  85           HN       MET  85  71.380  -8.057   1.065
  633    HA   MET  85           HA       MET  85  71.380 -10.642  -0.383
  634   1HB   MET  85           HB2      MET  85  73.072  -9.516  -1.748
  635   2HB   MET  85           HB1      MET  85  71.706  -8.428  -1.500
  636   1HG   MET  85           HG2      MET  85  72.878  -7.185   0.173
  637   2HG   MET  85           HG1      MET  85  74.148  -8.403   0.286
  638   1HE   MET  85           HE1      MET  85  72.771  -5.359  -1.180
  639   2HE   MET  85           HE3      MET  85  73.558  -5.070  -2.738
  640   3HE   MET  85           HE2      MET  85  72.307  -6.302  -2.595
  641    H    LYS  86           HN       LYS  86  73.021  -9.071   2.260
  642    HA   LYS  86           HA       LYS  86  75.279 -11.002   2.181
  643   1HB   LYS  86           HB2      LYS  86  75.389  -8.457   2.633
  644   2HB   LYS  86           HB1      LYS  86  74.728  -8.843   4.223
  645   1HG   LYS  86           HG2      LYS  86  76.657 -10.621   4.292
  646   2HG   LYS  86           HG1      LYS  86  77.384  -9.609   3.043
  647   1HD   LYS  86           HD2      LYS  86  78.175  -8.319   4.718
  648   2HD   LYS  86           HD1      LYS  86  76.512  -7.784   4.962
  649   1HE   LYS  86           HE2      LYS  86  76.274  -9.957   6.402
  650   2HE   LYS  86           HE1      LYS  86  78.047  -9.902   6.459
  651   1HZ   LYS  86           HZ1      LYS  86  76.768  -7.342   6.835
  652   2HZ   LYS  86           HZ3      LYS  86  76.422  -8.459   8.063
  653   3HZ   LYS  86           HZ2      LYS  86  78.034  -8.060   7.710
  654    H    ASP  87           HN       ASP  87  72.393 -11.737   2.865
  655    HA   ASP  87           HA       ASP  87  72.829 -12.703   5.672
  656   1HB   ASP  87           HB2      ASP  87  70.625 -11.513   4.182
  657   2HB   ASP  87           HB1      ASP  87  70.145 -13.036   4.930
  658    H    ASP  88           HN       ASP  88  74.020 -14.613   4.983
  659    HA   ASP  88           HA       ASP  88  72.299 -16.659   3.619
  660   1HB   ASP  88           HB2      ASP  88  75.263 -16.067   3.369
  661   2HB   ASP  88           HB1      ASP  88  74.487 -17.489   2.670
  662    H    SER  89           HN       SER  89  74.109 -18.801   3.984
  663    HA   SER  89           HA       SER  89  74.124 -19.061   6.974
  664   1HB   SER  89           HB2      SER  89  72.685 -20.742   6.454
  665   2HB   SER  89           HB1      SER  89  73.100 -20.663   4.744
  666    HG   SER  89           HG       SER  89  73.924 -22.398   6.625
   
  No H/Q in entry =         666
  Start of MODEL    3
    1   1H    MET   1           HT3      MET   1  78.751  -1.652  19.552
    2   2H    MET   1           HT2      MET   1  80.277  -1.406  20.257
    3   3H    MET   1           HT1      MET   1  79.145  -0.138  20.207
    4    HA   MET   1           HA       MET   1  79.502   0.305  17.996
    5   1HB   MET   1           HB2      MET   1  81.605   0.135  19.705
    6   2HB   MET   1           HB1      MET   1  82.167  -0.937  18.421
    7   1HG   MET   1           HG2      MET   1  82.868   0.977  17.419
    8   2HG   MET   1           HG1      MET   1  81.172   1.171  16.976
    9   1HE   MET   1           HE3      MET   1  82.740   3.473  16.799
   10   2HE   MET   1           HE2      MET   1  81.022   3.845  16.908
   11   3HE   MET   1           HE1      MET   1  82.178   4.763  17.870
   12    H    ASP   2           HN       ASP   2  80.755  -0.577  15.925
   13    HA   ASP   2           HA       ASP   2  80.904  -3.443  15.540
   14   1HB   ASP   2           HB2      ASP   2  78.845  -3.578  14.108
   15   2HB   ASP   2           HB1      ASP   2  78.484  -3.228  15.798
   16    H    ASP   3           HN       ASP   3  81.594  -3.943  13.353
   17    HA   ASP   3           HA       ASP   3  81.997  -1.609  11.535
   18   1HB   ASP   3           HB2      ASP   3  83.944  -2.148  13.170
   19   2HB   ASP   3           HB1      ASP   3  84.204  -3.570  12.159
   20    H    ILE   4           HN       ILE   4  80.622  -4.498  11.802
   21    HA   ILE   4           HA       ILE   4  81.700  -5.909   9.473
   22    HB   ILE   4           HB       ILE   4  79.038  -6.316  10.852
   23   1HG1  ILE   4          HG12      ILE   4  80.957  -7.996  12.042
   24   2HG1  ILE   4          HG11      ILE   4  81.698  -6.395  12.009
   25   1HG2  ILE   4          HG23      ILE   4  80.186  -7.626   8.754
   26   2HG2  ILE   4          HG22      ILE   4  80.811  -8.566  10.109
   27   3HG2  ILE   4          HG21      ILE   4  79.070  -8.383   9.890
   28   1HD1  ILE   4          HD12      ILE   4  78.944  -6.114  12.759
   29   2HD1  ILE   4          HD11      ILE   4  79.684  -7.346  13.782
   30   3HD1  ILE   4          HD13      ILE   4  80.382  -5.728  13.705
   31    H    TYR   5           HN       TYR   5  78.413  -4.635  10.125
   32    HA   TYR   5           HA       TYR   5  77.543  -4.622   7.420
   33   1HB   TYR   5           HB2      TYR   5  76.801  -3.086   9.917
   34   2HB   TYR   5           HB1      TYR   5  75.907  -2.889   8.410
   35    HD1  TYR   5           HD1      TYR   5  74.789  -4.875   7.354
   36    HD2  TYR   5           HD2      TYR   5  76.538  -5.039  11.274
   37    HE1  TYR   5           HE1      TYR   5  73.516  -6.949   7.836
   38    HE2  TYR   5           HE2      TYR   5  75.265  -7.112  11.757
   39    HH   TYR   5           HH       TYR   5  72.670  -8.136   9.950
   40    H    LYS   6           HN       LYS   6  79.487  -2.326   9.236
   41    HA   LYS   6           HA       LYS   6  79.182  -0.056   7.492
   42   1HB   LYS   6           HB2      LYS   6  81.150  -1.026   9.552
   43   2HB   LYS   6           HB1      LYS   6  81.506   0.430   8.621
   44   1HG   LYS   6           HG2      LYS   6  79.050   1.106   9.290
   45   2HG   LYS   6           HG1      LYS   6  79.294  -0.064  10.589
   46   1HD   LYS   6           HD2      LYS   6  79.953   2.183  11.335
   47   2HD   LYS   6           HD1      LYS   6  81.365   1.127  11.254
   48   1HE   LYS   6           HE2      LYS   6  82.352   2.558   9.808
   49   2HE   LYS   6           HE1      LYS   6  80.995   2.359   8.680
   50   1HZ   LYS   6           HZ1      LYS   6  79.802   3.849  10.462
   51   2HZ   LYS   6           HZ3      LYS   6  81.386   4.370  10.777
   52   3HZ   LYS   6           HZ2      LYS   6  80.730   4.547   9.220
   53    H    ALA   7           HN       ALA   7  81.587  -2.694   7.629
   54    HA   ALA   7           HA       ALA   7  83.128  -1.727   5.367
   55   1HB   ALA   7           HB3      ALA   7  83.145  -3.837   7.341
   56   2HB   ALA   7           HB2      ALA   7  83.474  -4.514   5.747
   57   3HB   ALA   7           HB1      ALA   7  84.489  -3.219   6.382
   58    H    ALA   8           HN       ALA   8  80.134  -3.371   5.664
   59    HA   ALA   8           HA       ALA   8  80.271  -4.865   3.154
   60   1HB   ALA   8           HB3      ALA   8  78.776  -4.940   5.450
   61   2HB   ALA   8           HB2      ALA   8  77.654  -4.154   4.339
   62   3HB   ALA   8           HB1      ALA   8  78.315  -5.743   3.949
   63    H    VAL   9           HN       VAL   9  78.626  -1.880   4.253
   64    HA   VAL   9           HA       VAL   9  77.502  -1.246   1.666
   65    HB   VAL   9           HB       VAL   9  78.075   0.312   4.201
   66   1HG1  VAL   9          HG12      VAL   9  76.918   1.166   1.571
   67   2HG1  VAL   9          HG11      VAL   9  76.230   1.833   3.052
   68   3HG1  VAL   9          HG13      VAL   9  77.940   2.070   2.690
   69   1HG2  VAL   9          HG21      VAL   9  75.566  -0.882   2.979
   70   2HG2  VAL   9          HG23      VAL   9  76.392  -1.437   4.435
   71   3HG2  VAL   9          HG22      VAL   9  75.584   0.130   4.423
   72    H    GLU  10           HN       GLU  10  80.557  -0.501   3.275
   73    HA   GLU  10           HA       GLU  10  81.373   1.542   1.358
   74   1HB   GLU  10           HB2      GLU  10  82.503   0.036   3.681
   75   2HB   GLU  10           HB1      GLU  10  83.643   0.817   2.586
   76   1HG   GLU  10           HG2      GLU  10  82.636   2.970   2.937
   77   2HG   GLU  10           HG1      GLU  10  81.274   2.257   3.802
   78    H    GLN  11           HN       GLN  11  81.526  -1.939   1.519
   79    HA   GLN  11           HA       GLN  11  83.756  -2.343  -0.270
   80   1HB   GLN  11           HB2      GLN  11  81.826  -3.837   1.237
   81   2HB   GLN  11           HB1      GLN  11  81.856  -4.467  -0.411
   82   1HG   GLN  11           HG2      GLN  11  83.835  -5.470  -0.038
   83   2HG   GLN  11           HG1      GLN  11  84.551  -3.938   0.466
   84   1HE2  GLN  11          HE22      GLN  11  84.485  -4.769   3.886
   85   2HE2  GLN  11          HE21      GLN  11  85.004  -3.694   2.679
   86    H    LEU  12           HN       LEU  12  80.268  -1.907  -0.751
   87    HA   LEU  12           HA       LEU  12  79.883  -2.735  -3.378
   88   1HB   LEU  12           HB2      LEU  12  78.937  -0.293  -1.855
   89   2HB   LEU  12           HB1      LEU  12  78.283  -0.735  -3.433
   90    HG   LEU  12           HG       LEU  12  78.386  -2.744  -1.189
   91   1HD1  LEU  12          HD11      LEU  12  77.175  -0.565  -0.541
   92   2HD1  LEU  12          HD13      LEU  12  75.995  -0.993  -1.780
   93   3HD1  LEU  12          HD12      LEU  12  76.252  -2.061  -0.400
   94   1HD2  LEU  12          HD22      LEU  12  77.662  -2.841  -3.886
   95   2HD2  LEU  12          HD21      LEU  12  77.256  -4.041  -2.659
   96   3HD2  LEU  12          HD23      LEU  12  76.122  -2.744  -3.031
   97    H    THR  13           HN       THR  13  80.578  -2.022  -5.386
   98    HA   THR  13           HA       THR  13  82.774  -0.109  -5.521
   99    HB   THR  13           HB       THR  13  82.184  -0.628  -8.078
  100    HG1  THR  13           HG1      THR  13  81.052  -2.535  -8.245
  101   1HG2  THR  13          HG21      THR  13  84.042  -1.511  -6.383
  102   2HG2  THR  13          HG23      THR  13  83.113  -3.003  -6.524
  103   3HG2  THR  13          HG22      THR  13  83.812  -2.260  -7.963
  104    H    GLU  14           HN       GLU  14  82.686   1.771  -7.062
  105    HA   GLU  14           HA       GLU  14  80.507   3.548  -6.471
  106   1HB   GLU  14           HB2      GLU  14  83.064   3.509  -7.840
  107   2HB   GLU  14           HB1      GLU  14  81.884   4.437  -8.767
  108   1HG   GLU  14           HG2      GLU  14  82.727   6.059  -7.311
  109   2HG   GLU  14           HG1      GLU  14  81.299   5.499  -6.439
  110    H    GLU  15           HN       GLU  15  80.929   1.108  -8.889
  111    HA   GLU  15           HA       GLU  15  79.218   2.201 -10.943
  112   1HB   GLU  15           HB2      GLU  15  79.267  -0.170 -11.726
  113   2HB   GLU  15           HB1      GLU  15  80.874   0.431 -11.317
  114   1HG   GLU  15           HG2      GLU  15  81.122  -1.142  -9.728
  115   2HG   GLU  15           HG1      GLU  15  79.600  -0.674  -8.969
  116    H    GLN  16           HN       GLN  16  78.607   0.625  -7.900
  117    HA   GLN  16           HA       GLN  16  75.870  -0.210  -8.591
  118   1HB   GLN  16           HB2      GLN  16  77.064   0.026  -5.828
  119   2HB   GLN  16           HB1      GLN  16  75.896  -1.154  -6.420
  120   1HG   GLN  16           HG2      GLN  16  78.064  -1.552  -8.090
  121   2HG   GLN  16           HG1      GLN  16  78.824  -1.211  -6.535
  122   1HE2  GLN  16          HE22      GLN  16  78.309  -4.718  -6.018
  123   2HE2  GLN  16          HE21      GLN  16  79.457  -3.557  -6.482
  124    H    LYS  17           HN       LYS  17  77.120   1.923  -6.003
  125    HA   LYS  17           HA       LYS  17  74.728   3.264  -5.397
  126   1HB   LYS  17           HB2      LYS  17  77.649   3.751  -5.184
  127   2HB   LYS  17           HB1      LYS  17  76.628   5.179  -5.012
  128   1HG   LYS  17           HG2      LYS  17  75.894   4.528  -2.978
  129   2HG   LYS  17           HG1      LYS  17  75.573   2.887  -3.540
  130   1HD   LYS  17           HD2      LYS  17  77.283   2.699  -1.873
  131   2HD   LYS  17           HD1      LYS  17  78.085   2.489  -3.430
  132   1HE   LYS  17           HE2      LYS  17  78.366   5.140  -3.251
  133   2HE   LYS  17           HE1      LYS  17  78.252   4.784  -1.516
  134   1HZ   LYS  17           HZ2      LYS  17  79.819   2.785  -2.422
  135   2HZ   LYS  17           HZ1      LYS  17  80.326   4.080  -3.397
  136   3HZ   LYS  17           HZ3      LYS  17  80.399   4.214  -1.708
  137    H    ASN  18           HN       ASN  18  76.754   3.583  -8.214
  138    HA   ASN  18           HA       ASN  18  75.811   6.227  -9.008
  139   1HB   ASN  18           HB2      ASN  18  77.488   4.003 -10.072
  140   2HB   ASN  18           HB1      ASN  18  76.805   5.116 -11.259
  141   1HD2  ASN  18          HD22      ASN  18  79.855   6.879 -10.461
  142   2HD2  ASN  18          HD21      ASN  18  79.234   5.692 -11.503
  143    H    GLU  19           HN       GLU  19  75.078   2.876 -10.051
  144    HA   GLU  19           HA       GLU  19  73.004   3.693 -11.915
  145   1HB   GLU  19           HB2      GLU  19  74.312   1.272 -10.913
  146   2HB   GLU  19           HB1      GLU  19  72.591   1.030 -11.213
  147   1HG   GLU  19           HG2      GLU  19  73.384   2.497 -13.416
  148   2HG   GLU  19           HG1      GLU  19  74.774   1.452 -13.127
  149    H    PHE  20           HN       PHE  20  73.082   2.675  -8.525
  150    HA   PHE  20           HA       PHE  20  70.285   2.256  -8.133
  151   1HB   PHE  20           HB2      PHE  20  72.676   2.965  -6.461
  152   2HB   PHE  20           HB1      PHE  20  71.077   2.999  -5.718
  153    HD1  PHE  20           HD2      PHE  20  71.790   0.723  -8.507
  154    HD2  PHE  20           HD1      PHE  20  71.611   1.107  -4.232
  155    HE1  PHE  20           HE2      PHE  20  71.840  -1.746  -8.282
  156    HE2  PHE  20           HE1      PHE  20  71.661  -1.362  -4.008
  157    HZ   PHE  20           HZ       PHE  20  71.774  -2.789  -6.033
  158    H    LYS  21           HN       LYS  21  72.289   5.194  -7.933
  159    HA   LYS  21           HA       LYS  21  70.477   7.019  -6.823
  160   1HB   LYS  21           HB2      LYS  21  72.791   7.537  -7.369
  161   2HB   LYS  21           HB1      LYS  21  72.471   7.318  -9.090
  162   1HG   LYS  21           HG2      LYS  21  71.274   9.304  -9.262
  163   2HG   LYS  21           HG1      LYS  21  70.829   9.302  -7.554
  164   1HD   LYS  21           HD2      LYS  21  73.537   9.461  -7.356
  165   2HD   LYS  21           HD1      LYS  21  73.275  10.335  -8.865
  166   1HE   LYS  21           HE2      LYS  21  71.257  11.277  -7.153
  167   2HE   LYS  21           HE1      LYS  21  72.717  11.201  -6.146
  168   1HZ   LYS  21           HZ3      LYS  21  73.944  12.322  -7.906
  169   2HZ   LYS  21           HZ2      LYS  21  72.534  12.424  -8.851
  170   3HZ   LYS  21           HZ1      LYS  21  72.643  13.278  -7.386
  171    H    ALA  22           HN       ALA  22  70.897   6.388 -10.335
  172    HA   ALA  22           HA       ALA  22  68.889   7.935 -11.425
  173   1HB   ALA  22           HB1      ALA  22  70.335   5.515 -12.050
  174   2HB   ALA  22           HB3      ALA  22  68.677   5.376 -12.634
  175   3HB   ALA  22           HB2      ALA  22  69.687   6.723 -13.158
  176    H    ALA  23           HN       ALA  23  68.304   4.530 -10.441
  177    HA   ALA  23           HA       ALA  23  65.469   4.642 -10.597
  178   1HB   ALA  23           HB1      ALA  23  67.186   2.690 -10.292
  179   2HB   ALA  23           HB3      ALA  23  66.987   3.004  -8.569
  180   3HB   ALA  23           HB2      ALA  23  65.596   2.534  -9.546
  181    H    PHE  24           HN       PHE  24  67.703   5.470  -7.966
  182    HA   PHE  24           HA       PHE  24  66.009   5.729  -5.773
  183   1HB   PHE  24           HB2      PHE  24  68.532   6.204  -6.109
  184   2HB   PHE  24           HB1      PHE  24  68.029   7.833  -6.560
  185    HD1  PHE  24           HD1      PHE  24  66.366   9.020  -4.907
  186    HD2  PHE  24           HD2      PHE  24  68.880   5.701  -3.850
  187    HE1  PHE  24           HE1      PHE  24  66.159   9.626  -2.511
  188    HE2  PHE  24           HE2      PHE  24  68.674   6.308  -1.454
  189    HZ   PHE  24           HZ       PHE  24  67.313   8.270  -0.785
  190    H    ASP  25           HN       ASP  25  66.540   8.145  -8.362
  191    HA   ASP  25           HA       ASP  25  64.688  10.090  -7.326
  192   1HB   ASP  25           HB2      ASP  25  65.815   9.488 -10.076
  193   2HB   ASP  25           HB1      ASP  25  64.867  10.931  -9.714
  194    H    ILE  26           HN       ILE  26  64.214   7.062  -8.887
  195    HA   ILE  26           HA       ILE  26  61.641   7.710 -10.122
  196    HB   ILE  26           HB       ILE  26  62.903   5.033  -9.463
  197   1HG1  ILE  26          HG12      ILE  26  64.493   6.521 -10.661
  198   2HG1  ILE  26          HG11      ILE  26  63.967   5.177 -11.676
  199   1HG2  ILE  26          HG23      ILE  26  60.943   5.944 -11.588
  200   2HG2  ILE  26          HG22      ILE  26  61.637   4.326 -11.485
  201   3HG2  ILE  26          HG21      ILE  26  60.576   4.914 -10.205
  202   1HD1  ILE  26          HD12      ILE  26  62.246   6.665 -12.696
  203   2HD1  ILE  26          HD11      ILE  26  62.873   8.005 -11.738
  204   3HD1  ILE  26          HD13      ILE  26  63.887   7.252 -12.968
  205    H    PHE  27           HN       PHE  27  62.768   6.329  -7.058
  206    HA   PHE  27           HA       PHE  27  60.082   5.461  -6.248
  207   1HB   PHE  27           HB2      PHE  27  62.536   5.810  -4.518
  208   2HB   PHE  27           HB1      PHE  27  61.240   4.626  -4.347
  209    HD1  PHE  27           HD1      PHE  27  60.900   3.526  -7.003
  210    HD2  PHE  27           HD2      PHE  27  64.523   4.652  -4.987
  211    HE1  PHE  27           HE1      PHE  27  62.177   1.928  -8.404
  212    HE2  PHE  27           HE2      PHE  27  65.799   3.053  -6.387
  213    HZ   PHE  27           HZ       PHE  27  64.626   1.690  -8.095
  214    H    VAL  28           HN       VAL  28  62.187   8.255  -5.763
  215    HA   VAL  28           HA       VAL  28  60.465   9.402  -3.668
  216    HB   VAL  28           HB       VAL  28  62.190  11.108  -3.654
  217   1HG1  VAL  28          HG12      VAL  28  62.641   8.481  -3.106
  218   2HG1  VAL  28          HG11      VAL  28  63.915   8.790  -4.284
  219   3HG1  VAL  28          HG13      VAL  28  63.824   9.756  -2.812
  220   1HG2  VAL  28          HG21      VAL  28  62.571  10.136  -6.416
  221   2HG2  VAL  28          HG23      VAL  28  62.842  11.744  -5.744
  222   3HG2  VAL  28          HG22      VAL  28  64.064  10.488  -5.546
  223    H    LEU  29           HN       LEU  29  59.332   8.926  -6.406
  224    HA   LEU  29           HA       LEU  29  59.153  11.165  -8.063
  225   1HB   LEU  29           HB2      LEU  29  57.359   8.929  -7.224
  226   2HB   LEU  29           HB1      LEU  29  56.635  10.238  -8.161
  227    HG   LEU  29           HG       LEU  29  59.218   8.964  -9.045
  228   1HD1  LEU  29          HD12      LEU  29  56.465   7.845  -9.140
  229   2HD1  LEU  29          HD11      LEU  29  57.398   7.750 -10.633
  230   3HD1  LEU  29          HD13      LEU  29  58.020   7.013  -9.157
  231   1HD2  LEU  29          HD21      LEU  29  56.943  10.397 -10.454
  232   2HD2  LEU  29          HD23      LEU  29  58.546  11.054 -10.125
  233   3HD2  LEU  29          HD22      LEU  29  58.356   9.720 -11.264
  234    H    GLY  30           HN       GLY  30  59.233  13.131  -6.823
  235   1HA   GLY  30           HA2      GLY  30  58.179  15.008  -5.874
  236   2HA   GLY  30           HA1      GLY  30  56.647  14.144  -6.002
  237    H    ALA  31           HN       ALA  31  59.509  12.960  -4.293
  238    HA   ALA  31           HA       ALA  31  58.031  12.275  -1.931
  239   1HB   ALA  31           HB1      ALA  31  60.940  12.593  -2.676
  240   2HB   ALA  31           HB3      ALA  31  60.472  12.144  -1.036
  241   3HB   ALA  31           HB2      ALA  31  60.037  11.105  -2.393
  242    H    GLU  32           HN       GLU  32  59.117  13.215   0.282
  243    HA   GLU  32           HA       GLU  32  58.254  15.987   0.440
  244   1HB   GLU  32           HB2      GLU  32  59.584  14.020   2.321
  245   2HB   GLU  32           HB1      GLU  32  59.109  15.643   2.824
  246   1HG   GLU  32           HG2      GLU  32  57.112  13.868   1.449
  247   2HG   GLU  32           HG1      GLU  32  57.432  13.656   3.169
  248    H    ASP  33           HN       ASP  33  61.416  14.334   0.588
  249    HA   ASP  33           HA       ASP  33  62.724  16.930  -0.089
  250   1HB   ASP  33           HB2      ASP  33  64.369  16.503   1.723
  251   2HB   ASP  33           HB1      ASP  33  62.732  16.658   2.363
  252    H    GLY  34           HN       GLY  34  62.190  14.470  -1.642
  253   1HA   GLY  34           HA2      GLY  34  63.382  13.212  -3.232
  254   2HA   GLY  34           HA1      GLY  34  64.836  14.079  -2.742
  255    H    CYS  35           HN       CYS  35  62.591  11.741  -1.203
  256    HA   CYS  35           HA       CYS  35  64.978  10.075  -0.502
  257   1HB   CYS  35           HB2      CYS  35  62.825  11.244   1.258
  258   2HB   CYS  35           HB1      CYS  35  63.700   9.795   1.749
  259    HG   CYS  35           HG       CYS  35  64.779  12.543   2.031
  260    H    ILE  36           HN       ILE  36  64.359   7.815   0.011
  261    HA   ILE  36           HA       ILE  36  61.864   7.008  -1.435
  262    HB   ILE  36           HB       ILE  36  64.123   5.163  -0.691
  263   1HG1  ILE  36          HG12      ILE  36  64.139   7.113  -3.019
  264   2HG1  ILE  36          HG11      ILE  36  65.234   7.148  -1.636
  265   1HG2  ILE  36          HG22      ILE  36  61.853   5.253  -2.564
  266   2HG2  ILE  36          HG21      ILE  36  63.357   4.685  -3.290
  267   3HG2  ILE  36          HG23      ILE  36  62.693   3.861  -1.876
  268   1HD1  ILE  36          HD13      ILE  36  65.040   4.580  -3.131
  269   2HD1  ILE  36          HD12      ILE  36  65.876   5.909  -3.933
  270   3HD1  ILE  36          HD11      ILE  36  66.439   5.332  -2.366
  271    H    SER  37           HN       SER  37  60.323   6.994   0.242
  272    HA   SER  37           HA       SER  37  60.831   6.083   2.924
  273   1HB   SER  37           HB2      SER  37  58.463   6.365   3.153
  274   2HB   SER  37           HB1      SER  37  58.978   7.579   1.985
  275    HG   SER  37           HG       SER  37  57.124   5.848   1.619
  276    H    THR  38           HN       THR  38  59.545   4.145   3.839
  277    HA   THR  38           HA       THR  38  60.298   1.735   2.343
  278    HB   THR  38           HB       THR  38  60.620   2.000   4.780
  279    HG1  THR  38           HG1      THR  38  58.901   0.042   3.753
  280   1HG2  THR  38          HG22      THR  38  57.636   2.374   4.675
  281   2HG2  THR  38          HG21      THR  38  58.433   1.825   6.150
  282   3HG2  THR  38          HG23      THR  38  58.845   3.392   5.453
  283    H    LYS  39           HN       LYS  39  57.486   3.691   2.671
  284    HA   LYS  39           HA       LYS  39  55.439   1.691   2.349
  285   1HB   LYS  39           HB2      LYS  39  55.218   4.088   3.128
  286   2HB   LYS  39           HB1      LYS  39  55.455   4.588   1.452
  287   1HG   LYS  39           HG2      LYS  39  53.418   3.713   0.756
  288   2HG   LYS  39           HG1      LYS  39  53.365   2.528   2.062
  289   1HD   LYS  39           HD2      LYS  39  52.648   4.105   3.641
  290   2HD   LYS  39           HD1      LYS  39  53.246   5.467   2.693
  291   1HE   LYS  39           HE2      LYS  39  51.352   4.135   1.051
  292   2HE   LYS  39           HE1      LYS  39  50.613   4.299   2.656
  293   1HZ   LYS  39           HZ2      LYS  39  52.099   6.512   1.367
  294   2HZ   LYS  39           HZ1      LYS  39  50.429   6.299   1.137
  295   3HZ   LYS  39           HZ3      LYS  39  51.039   6.591   2.692
  296    H    GLU  40           HN       GLU  40  57.344   3.614   0.036
  297    HA   GLU  40           HA       GLU  40  55.934   2.366  -2.254
  298   1HB   GLU  40           HB2      GLU  40  58.105   4.464  -1.951
  299   2HB   GLU  40           HB1      GLU  40  57.438   3.964  -3.507
  300   1HG   GLU  40           HG2      GLU  40  55.527   4.770  -1.349
  301   2HG   GLU  40           HG1      GLU  40  56.421   6.040  -2.187
  302    H    LEU  41           HN       LEU  41  58.854   1.994  -0.408
  303    HA   LEU  41           HA       LEU  41  60.702   0.908  -2.189
  304   1HB   LEU  41           HB2      LEU  41  60.089   0.860   0.630
  305   2HB   LEU  41           HB1      LEU  41  60.666  -0.729   0.130
  306    HG   LEU  41           HG       LEU  41  62.063   1.933  -0.241
  307   1HD1  LEU  41          HD13      LEU  41  62.126  -0.019   1.793
  308   2HD1  LEU  41          HD12      LEU  41  63.604  -0.256   0.861
  309   3HD1  LEU  41          HD11      LEU  41  63.253   1.319   1.571
  310   1HD2  LEU  41          HD23      LEU  41  62.339  -0.664  -1.663
  311   2HD2  LEU  41          HD22      LEU  41  62.741   0.964  -2.207
  312   3HD2  LEU  41          HD21      LEU  41  63.842   0.096  -1.138
  313    H    GLY  42           HN       GLY  42  57.970  -0.809  -0.629
  314   1HA   GLY  42           HA2      GLY  42  58.371  -3.404  -1.502
  315   2HA   GLY  42           HA1      GLY  42  56.764  -2.676  -1.434
  316    H    LYS  43           HN       LYS  43  56.629  -0.909  -3.407
  317    HA   LYS  43           HA       LYS  43  56.510  -2.477  -5.814
  318   1HB   LYS  43           HB2      LYS  43  56.415   0.503  -5.238
  319   2HB   LYS  43           HB1      LYS  43  56.015  -0.205  -6.804
  320   1HG   LYS  43           HG2      LYS  43  54.222  -1.524  -5.789
  321   2HG   LYS  43           HG1      LYS  43  54.649  -0.912  -4.191
  322   1HD   LYS  43           HD2      LYS  43  53.188   0.767  -4.563
  323   2HD   LYS  43           HD1      LYS  43  54.339   1.388  -5.747
  324   1HE   LYS  43           HE2      LYS  43  52.989  -0.682  -7.088
  325   2HE   LYS  43           HE1      LYS  43  51.728   0.205  -6.209
  326   1HZ   LYS  43           HZ3      LYS  43  53.872   1.655  -7.622
  327   2HZ   LYS  43           HZ2      LYS  43  52.504   1.116  -8.474
  328   3HZ   LYS  43           HZ1      LYS  43  52.329   2.204  -7.180
  329    H    VAL  44           HN       VAL  44  58.882  -0.188  -4.515
  330    HA   VAL  44           HA       VAL  44  60.501   0.126  -6.852
  331    HB   VAL  44           HB       VAL  44  61.175   0.136  -3.890
  332   1HG1  VAL  44          HG11      VAL  44  62.788   0.545  -6.290
  333   2HG1  VAL  44          HG13      VAL  44  62.809   1.955  -5.229
  334   3HG1  VAL  44          HG12      VAL  44  63.302   0.378  -4.610
  335   1HG2  VAL  44          HG21      VAL  44  59.754   1.980  -5.683
  336   2HG2  VAL  44          HG23      VAL  44  59.790   1.934  -3.920
  337   3HG2  VAL  44          HG22      VAL  44  61.080   2.745  -4.807
  338    H    MET  45           HN       MET  45  60.631  -2.235  -4.179
  339    HA   MET  45           HA       MET  45  62.993  -3.612  -4.949
  340   1HB   MET  45           HB2      MET  45  60.445  -4.387  -3.513
  341   2HB   MET  45           HB1      MET  45  61.811  -5.495  -3.660
  342   1HG   MET  45           HG2      MET  45  62.379  -2.725  -2.705
  343   2HG   MET  45           HG1      MET  45  61.583  -3.828  -1.582
  344   1HE   MET  45           HE3      MET  45  64.242  -2.254  -1.711
  345   2HE   MET  45           HE2      MET  45  64.320  -3.208  -0.232
  346   3HE   MET  45           HE1      MET  45  65.657  -3.262  -1.379
  347    H    ARG  46           HN       ARG  46  59.645  -3.928  -6.075
  348    HA   ARG  46           HA       ARG  46  59.971  -6.375  -7.544
  349   1HB   ARG  46           HB2      ARG  46  58.118  -3.986  -7.752
  350   2HB   ARG  46           HB1      ARG  46  57.910  -5.441  -8.728
  351   1HG   ARG  46           HG2      ARG  46  58.061  -6.684  -6.424
  352   2HG   ARG  46           HG1      ARG  46  57.644  -5.108  -5.753
  353   1HD   ARG  46           HD2      ARG  46  55.817  -5.310  -7.791
  354   2HD   ARG  46           HD1      ARG  46  55.955  -6.999  -7.264
  355    HE   ARG  46           HE       ARG  46  55.649  -4.905  -5.175
  356   1HH1  ARG  46          HH11      ARG  46  55.332  -8.092  -5.359
  357   2HH1  ARG  46          HH12      ARG  46  53.646  -8.198  -4.975
  358   1HH2  ARG  46          HH21      ARG  46  53.072  -4.802  -5.377
  359   2HH2  ARG  46          HH22      ARG  46  52.366  -6.335  -4.988
  360    H    MET  47           HN       MET  47  60.713  -3.011  -8.288
  361    HA   MET  47           HA       MET  47  60.981  -3.271 -11.138
  362   1HB   MET  47           HB2      MET  47  62.358  -1.436  -9.148
  363   2HB   MET  47           HB1      MET  47  62.208  -1.143 -10.881
  364   1HG   MET  47           HG2      MET  47  59.619  -1.745  -9.732
  365   2HG   MET  47           HG1      MET  47  60.375  -0.399  -8.877
  366   1HE   MET  47           HE2      MET  47  62.031   0.881 -10.207
  367   2HE   MET  47           HE1      MET  47  61.974   1.212 -11.937
  368   3HE   MET  47           HE3      MET  47  61.070   2.230 -10.807
  369    H    LEU  48           HN       LEU  48  63.635  -2.884  -8.764
  370    HA   LEU  48           HA       LEU  48  65.777  -3.677 -10.371
  371   1HB   LEU  48           HB2      LEU  48  65.248  -4.264  -7.437
  372   2HB   LEU  48           HB1      LEU  48  66.839  -4.260  -8.200
  373    HG   LEU  48           HG       LEU  48  64.958  -1.912  -7.860
  374   1HD1  LEU  48          HD13      LEU  48  67.332  -2.926  -6.497
  375   2HD1  LEU  48          HD12      LEU  48  67.545  -1.265  -7.046
  376   3HD1  LEU  48          HD11      LEU  48  66.197  -1.677  -5.986
  377   1HD2  LEU  48          HD21      LEU  48  67.351  -2.316  -9.643
  378   2HD2  LEU  48          HD23      LEU  48  65.816  -1.533 -10.012
  379   3HD2  LEU  48          HD22      LEU  48  66.997  -0.718  -8.989
  380    H    GLY  49           HN       GLY  49  63.738  -5.787  -8.326
  381   1HA   GLY  49           HA2      GLY  49  63.177  -7.942  -9.747
  382   2HA   GLY  49           HA1      GLY  49  64.925  -8.163  -9.662
  383    H    GLN  50           HN       GLN  50  62.926  -6.835  -7.056
  384    HA   GLN  50           HA       GLN  50  63.552  -9.292  -5.449
  385   1HB   GLN  50           HB2      GLN  50  63.304  -6.442  -4.451
  386   2HB   GLN  50           HB1      GLN  50  63.985  -7.825  -3.592
  387   1HG   GLN  50           HG2      GLN  50  65.384  -7.612  -6.056
  388   2HG   GLN  50           HG1      GLN  50  65.313  -5.991  -5.364
  389   1HE2  GLN  50          HE22      GLN  50  68.252  -7.241  -3.674
  390   2HE2  GLN  50          HE21      GLN  50  67.765  -6.444  -5.092
  391    H    ASN  51           HN       ASN  51  61.925  -9.793  -3.787
  392    HA   ASN  51           HA       ASN  51  59.269  -8.473  -4.216
  393   1HB   ASN  51           HB2      ASN  51  59.920 -10.820  -5.350
  394   2HB   ASN  51           HB1      ASN  51  59.424 -11.419  -3.767
  395   1HD2  ASN  51          HD22      ASN  51  56.038 -10.018  -4.209
  396   2HD2  ASN  51          HD21      ASN  51  57.266  -9.971  -3.038
  397    HA   PRO  52           HA       PRO  52  60.409  -9.138   0.267
  398   1HB   PRO  52           HB2      PRO  52  60.379  -6.507   1.013
  399   2HB   PRO  52           HB1      PRO  52  61.832  -7.322   0.402
  400   1HG   PRO  52           HG2      PRO  52  59.979  -5.466  -0.988
  401   2HG   PRO  52           HG1      PRO  52  61.731  -5.644  -1.147
  402   1HD   PRO  52           HD2      PRO  52  59.898  -6.651  -2.933
  403   2HD   PRO  52           HD1      PRO  52  61.546  -7.280  -2.720
  404    H    THR  53           HN       THR  53  58.829  -9.126   1.924
  405    HA   THR  53           HA       THR  53  56.072  -8.619   1.092
  406    HB   THR  53           HB       THR  53  56.210  -9.163   3.852
  407    HG1  THR  53           HG1      THR  53  57.713 -10.973   3.737
  408   1HG2  THR  53          HG23      THR  53  54.736 -10.161   2.057
  409   2HG2  THR  53          HG22      THR  53  56.097 -11.189   1.608
  410   3HG2  THR  53          HG21      THR  53  55.379 -11.327   3.212
  411    HA   PRO  54           HA       PRO  54  55.390  -4.743   3.041
  412   1HB   PRO  54           HB2      PRO  54  53.215  -5.115   4.660
  413   2HB   PRO  54           HB1      PRO  54  53.106  -5.084   2.889
  414   1HG   PRO  54           HG2      PRO  54  53.125  -7.408   4.742
  415   2HG   PRO  54           HG1      PRO  54  52.205  -7.161   3.250
  416   1HD   PRO  54           HD2      PRO  54  54.453  -8.708   3.412
  417   2HD   PRO  54           HD1      PRO  54  53.910  -7.904   1.923
  418    H    GLU  55           HN       GLU  55  55.154  -7.375   5.451
  419    HA   GLU  55           HA       GLU  55  55.920  -5.696   7.698
  420   1HB   GLU  55           HB2      GLU  55  54.707  -8.101   7.344
  421   2HB   GLU  55           HB1      GLU  55  56.337  -8.638   7.753
  422   1HG   GLU  55           HG2      GLU  55  56.152  -7.952   9.909
  423   2HG   GLU  55           HG1      GLU  55  55.332  -6.457   9.457
  424    H    GLU  56           HN       GLU  56  57.640  -7.615   5.311
  425    HA   GLU  56           HA       GLU  56  60.150  -7.816   6.741
  426   1HB   GLU  56           HB2      GLU  56  59.003  -8.361   4.076
  427   2HB   GLU  56           HB1      GLU  56  60.728  -7.990   4.058
  428   1HG   GLU  56           HG2      GLU  56  59.999  -9.796   6.241
  429   2HG   GLU  56           HG1      GLU  56  59.614 -10.465   4.654
  430    H    LEU  57           HN       LEU  57  58.712  -5.418   4.584
  431    HA   LEU  57           HA       LEU  57  61.053  -3.914   3.948
  432   1HB   LEU  57           HB2      LEU  57  58.208  -3.791   3.663
  433   2HB   LEU  57           HB1      LEU  57  58.762  -2.224   4.254
  434    HG   LEU  57           HG       LEU  57  60.348  -2.026   2.435
  435   1HD1  LEU  57          HD12      LEU  57  59.719  -4.915   2.140
  436   2HD1  LEU  57          HD11      LEU  57  59.972  -4.018   0.642
  437   3HD1  LEU  57          HD13      LEU  57  61.237  -4.060   1.870
  438   1HD2  LEU  57          HD23      LEU  57  57.496  -2.398   2.020
  439   2HD2  LEU  57          HD22      LEU  57  58.577  -1.205   1.300
  440   3HD2  LEU  57          HD21      LEU  57  58.401  -2.797   0.560
  441    H    GLN  58           HN       GLN  58  58.541  -2.624   6.110
  442    HA   GLN  58           HA       GLN  58  59.982  -0.730   7.488
  443   1HB   GLN  58           HB2      GLN  58  57.545  -1.421   7.684
  444   2HB   GLN  58           HB1      GLN  58  58.073  -2.685   8.794
  445   1HG   GLN  58           HG2      GLN  58  57.324  -0.578   9.946
  446   2HG   GLN  58           HG1      GLN  58  58.982  -1.046  10.327
  447   1HE2  GLN  58          HE22      GLN  58  60.441   1.745   8.657
  448   2HE2  GLN  58          HE21      GLN  58  60.740   0.197   9.286
  449    H    GLU  59           HN       GLU  59  59.525  -4.012   8.864
  450    HA   GLU  59           HA       GLU  59  61.288  -3.952  10.978
  451   1HB   GLU  59           HB2      GLU  59  59.892  -5.845   9.529
  452   2HB   GLU  59           HB1      GLU  59  61.564  -6.362   9.315
  453   1HG   GLU  59           HG2      GLU  59  61.731  -5.943  11.905
  454   2HG   GLU  59           HG1      GLU  59  59.975  -6.108  11.851
  455    H    MET  60           HN       MET  60  62.197  -4.493   7.559
  456    HA   MET  60           HA       MET  60  65.031  -4.806   8.151
  457   1HB   MET  60           HB2      MET  60  63.219  -4.611   5.793
  458   2HB   MET  60           HB1      MET  60  64.922  -4.246   5.516
  459   1HG   MET  60           HG2      MET  60  65.449  -6.427   6.735
  460   2HG   MET  60           HG1      MET  60  63.730  -6.801   6.610
  461   1HE   MET  60           HE3      MET  60  65.862  -8.538   5.760
  462   2HE   MET  60           HE2      MET  60  66.116  -8.782   4.034
  463   3HE   MET  60           HE1      MET  60  67.043  -7.551   4.887
  464    H    ILE  61           HN       ILE  61  62.919  -2.089   7.730
  465    HA   ILE  61           HA       ILE  61  65.208  -0.259   7.171
  466    HB   ILE  61           HB       ILE  61  62.193  -0.073   7.050
  467   1HG1  ILE  61          HG12      ILE  61  63.691   0.839   4.750
  468   2HG1  ILE  61          HG11      ILE  61  64.226  -0.775   5.217
  469   1HG2  ILE  61          HG22      ILE  61  63.138   2.037   7.994
  470   2HG2  ILE  61          HG21      ILE  61  64.184   2.167   6.579
  471   3HG2  ILE  61          HG23      ILE  61  62.433   2.266   6.394
  472   1HD1  ILE  61          HD13      ILE  61  61.319  -0.487   5.340
  473   2HD1  ILE  61          HD12      ILE  61  61.958  -0.191   3.722
  474   3HD1  ILE  61          HD11      ILE  61  62.290  -1.720   4.536
  475    H    ASP  62           HN       ASP  62  62.799  -1.060   9.624
  476    HA   ASP  62           HA       ASP  62  63.148   1.260  11.289
  477   1HB   ASP  62           HB2      ASP  62  61.316  -0.534  11.269
  478   2HB   ASP  62           HB1      ASP  62  62.448  -1.553  12.161
  479    H    GLU  63           HN       GLU  63  65.275  -1.282  10.550
  480    HA   GLU  63           HA       GLU  63  66.797  -0.875  13.104
  481   1HB   GLU  63           HB2      GLU  63  66.222  -3.170  11.297
  482   2HB   GLU  63           HB1      GLU  63  67.834  -3.123  12.012
  483   1HG   GLU  63           HG2      GLU  63  66.929  -3.058  14.242
  484   2HG   GLU  63           HG1      GLU  63  65.291  -2.823  13.629
  485    H    VAL  64           HN       VAL  64  66.752   0.036   9.890
  486    HA   VAL  64           HA       VAL  64  69.736   0.081   9.681
  487    HB   VAL  64           HB       VAL  64  68.026  -0.963   7.961
  488   1HG1  VAL  64          HG12      VAL  64  66.976   1.530   7.952
  489   2HG1  VAL  64          HG11      VAL  64  68.138   1.693   6.635
  490   3HG1  VAL  64          HG13      VAL  64  66.890   0.449   6.562
  491   1HG2  VAL  64          HG22      VAL  64  70.377   0.814   7.278
  492   2HG2  VAL  64          HG21      VAL  64  70.374  -0.935   7.500
  493   3HG2  VAL  64          HG23      VAL  64  69.589  -0.224   6.090
  494    H    ASP  65           HN       ASP  65  66.884   2.085   9.931
  495    HA   ASP  65           HA       ASP  65  67.881   4.557   8.927
  496   1HB   ASP  65           HB2      ASP  65  65.610   3.525  10.232
  497   2HB   ASP  65           HB1      ASP  65  66.191   4.822  11.276
  498    H    GLU  66           HN       GLU  66  69.903   5.265   9.603
  499    HA   GLU  66           HA       GLU  66  70.905   4.865  12.303
  500   1HB   GLU  66           HB2      GLU  66  71.957   5.351   9.837
  501   2HB   GLU  66           HB1      GLU  66  72.063   6.959  10.552
  502   1HG   GLU  66           HG2      GLU  66  72.886   5.070  12.529
  503   2HG   GLU  66           HG1      GLU  66  73.748   4.702  11.035
  504    H    ASP  67           HN       ASP  67  68.790   7.158  10.881
  505    HA   ASP  67           HA       ASP  67  69.230   9.028  13.190
  506   1HB   ASP  67           HB2      ASP  67  68.404  10.770  11.556
  507   2HB   ASP  67           HB1      ASP  67  69.929  10.018  11.085
  508    H    GLY  68           HN       GLY  68  67.025   7.006  11.479
  509   1HA   GLY  68           HA2      GLY  68  64.807   6.426  12.023
  510   2HA   GLY  68           HA1      GLY  68  64.922   7.497  13.420
  511    H    SER  69           HN       SER  69  65.627   8.592  10.163
  512    HA   SER  69           HA       SER  69  63.907  10.861  10.315
  513   1HB   SER  69           HB2      SER  69  64.629  11.205   8.085
  514   2HB   SER  69           HB1      SER  69  65.935  10.268   8.802
  515    HG   SER  69           HG       SER  69  64.572   9.663   6.678
  516    H    GLY  70           HN       GLY  70  63.231   7.541   9.563
  517   1HA   GLY  70           HA2      GLY  70  60.928   6.736   9.558
  518   2HA   GLY  70           HA1      GLY  70  60.421   8.304   8.930
  519    H    THR  71           HN       THR  71  62.611   8.398   6.948
  520    HA   THR  71           HA       THR  71  61.474   6.423   5.001
  521    HB   THR  71           HB       THR  71  62.356   8.185   3.358
  522    HG1  THR  71           HG1      THR  71  62.415   9.783   5.686
  523   1HG2  THR  71          HG23      THR  71  60.224   8.858   5.399
  524   2HG2  THR  71          HG22      THR  71  60.472   9.777   3.914
  525   3HG2  THR  71          HG21      THR  71  59.997   8.081   3.833
  526    H    VAL  72           HN       VAL  72  63.276   6.205   3.093
  527    HA   VAL  72           HA       VAL  72  65.765   5.291   4.479
  528    HB   VAL  72           HB       VAL  72  64.746   4.491   1.743
  529   1HG1  VAL  72          HG12      VAL  72  66.548   3.231   3.825
  530   2HG1  VAL  72          HG11      VAL  72  65.964   2.375   2.398
  531   3HG1  VAL  72          HG13      VAL  72  67.002   3.790   2.215
  532   1HG2  VAL  72          HG21      VAL  72  63.685   3.831   4.432
  533   2HG2  VAL  72          HG23      VAL  72  62.898   3.733   2.857
  534   3HG2  VAL  72          HG22      VAL  72  63.981   2.445   3.382
  535    H    ASP  73           HN       ASP  73  67.362   6.824   4.232
  536    HA   ASP  73           HA       ASP  73  67.461   8.481   1.774
  537   1HB   ASP  73           HB2      ASP  73  67.815   9.073   4.361
  538   2HB   ASP  73           HB1      ASP  73  69.476   8.617   3.981
  539    H    PHE  74           HN       PHE  74  69.671   8.729   0.726
  540    HA   PHE  74           HA       PHE  74  70.688   6.411  -0.397
  541   1HB   PHE  74           HB2      PHE  74  71.193   9.016  -0.638
  542   2HB   PHE  74           HB1      PHE  74  72.593   8.598   0.351
  543    HD1  PHE  74           HD2      PHE  74  70.721   7.358  -2.656
  544    HD2  PHE  74           HD1      PHE  74  74.524   7.828  -0.715
  545    HE1  PHE  74           HE2      PHE  74  71.856   6.430  -4.657
  546    HE2  PHE  74           HE1      PHE  74  75.659   6.900  -2.715
  547    HZ   PHE  74           HZ       PHE  74  74.326   6.201  -4.686
  548    H    ASP  75           HN       ASP  75  71.811   7.945   2.634
  549    HA   ASP  75           HA       ASP  75  73.957   6.156   3.195
  550   1HB   ASP  75           HB2      ASP  75  72.088   7.508   5.164
  551   2HB   ASP  75           HB1      ASP  75  73.782   7.086   5.421
  552    H    GLU  76           HN       GLU  76  70.612   6.096   4.501
  553    HA   GLU  76           HA       GLU  76  70.921   3.480   5.706
  554   1HB   GLU  76           HB2      GLU  76  68.409   4.987   4.912
  555   2HB   GLU  76           HB1      GLU  76  68.552   3.762   6.174
  556   1HG   GLU  76           HG2      GLU  76  69.394   5.241   7.672
  557   2HG   GLU  76           HG1      GLU  76  70.457   5.981   6.473
  558    H    PHE  77           HN       PHE  77  69.358   4.648   2.711
  559    HA   PHE  77           HA       PHE  77  68.122   2.376   1.731
  560   1HB   PHE  77           HB2      PHE  77  68.377   4.669   0.683
  561   2HB   PHE  77           HB1      PHE  77  69.978   4.168   0.135
  562    HD1  PHE  77           HD2      PHE  77  66.524   2.684   0.232
  563    HD2  PHE  77           HD1      PHE  77  70.074   3.433  -2.067
  564    HE1  PHE  77           HE2      PHE  77  65.502   1.543  -1.718
  565    HE2  PHE  77           HE1      PHE  77  69.051   2.292  -4.018
  566    HZ   PHE  77           HZ       PHE  77  66.765   1.348  -3.843
  567    H    LEU  78           HN       LEU  78  71.622   3.063   1.682
  568    HA   LEU  78           HA       LEU  78  72.371   0.715   0.185
  569   1HB   LEU  78           HB2      LEU  78  73.669   2.796   1.901
  570   2HB   LEU  78           HB1      LEU  78  74.602   1.352   1.502
  571    HG   LEU  78           HG       LEU  78  73.219   3.134  -0.525
  572   1HD1  LEU  78          HD13      LEU  78  75.154   4.235   0.563
  573   2HD1  LEU  78          HD12      LEU  78  76.161   2.844   0.158
  574   3HD1  LEU  78          HD11      LEU  78  75.494   3.853  -1.125
  575   1HD2  LEU  78          HD22      LEU  78  73.992   0.465  -0.718
  576   2HD2  LEU  78          HD21      LEU  78  73.725   1.561  -2.073
  577   3HD2  LEU  78          HD23      LEU  78  75.350   1.342  -1.424
  578    H    VAL  79           HN       VAL  79  72.826   1.412   3.685
  579    HA   VAL  79           HA       VAL  79  73.643  -1.108   4.556
  580    HB   VAL  79           HB       VAL  79  71.687   0.809   5.876
  581   1HG1  VAL  79          HG11      VAL  79  72.040  -1.552   6.867
  582   2HG1  VAL  79          HG13      VAL  79  73.676  -1.008   7.239
  583   3HG1  VAL  79          HG12      VAL  79  72.288  -0.176   7.942
  584   1HG2  VAL  79          HG22      VAL  79  74.191   1.406   4.964
  585   2HG2  VAL  79          HG21      VAL  79  73.453   2.171   6.373
  586   3HG2  VAL  79          HG23      VAL  79  74.562   0.816   6.583
  587    H    MET  80           HN       MET  80  70.299   0.002   3.966
  588    HA   MET  80           HA       MET  80  68.925  -2.313   4.882
  589   1HB   MET  80           HB2      MET  80  68.405   0.125   3.539
  590   2HB   MET  80           HB1      MET  80  67.732  -1.145   2.516
  591   1HG   MET  80           HG2      MET  80  67.233  -1.284   5.464
  592   2HG   MET  80           HG1      MET  80  66.311  -0.120   4.511
  593   1HE   MET  80           HE1      MET  80  64.964  -0.381   2.854
  594   2HE   MET  80           HE3      MET  80  65.426  -1.600   1.658
  595   3HE   MET  80           HE2      MET  80  63.910  -1.757   2.540
  596    H    MET  81           HN       MET  81  70.344  -1.551   1.702
  597    HA   MET  81           HA       MET  81  69.470  -3.916   0.336
  598   1HB   MET  81           HB2      MET  81  71.480  -1.741   0.038
  599   2HB   MET  81           HB1      MET  81  71.771  -3.199  -0.909
  600   1HG   MET  81           HG2      MET  81  70.373  -1.433  -2.074
  601   2HG   MET  81           HG1      MET  81  69.630  -3.029  -1.985
  602   1HE   MET  81           HE3      MET  81  67.336  -2.597  -2.269
  603   2HE   MET  81           HE2      MET  81  66.366  -1.325  -1.532
  604   3HE   MET  81           HE1      MET  81  67.634  -0.902  -2.678
  605    H    VAL  82           HN       VAL  82  72.762  -3.154   1.536
  606    HA   VAL  82           HA       VAL  82  73.935  -5.677   1.283
  607    HB   VAL  82           HB       VAL  82  75.142  -3.661   1.908
  608   1HG1  VAL  82          HG12      VAL  82  73.306  -2.647   3.247
  609   2HG1  VAL  82          HG11      VAL  82  73.624  -3.814   4.530
  610   3HG1  VAL  82          HG13      VAL  82  74.847  -2.617   4.105
  611   1HG2  VAL  82          HG23      VAL  82  75.330  -6.144   3.371
  612   2HG2  VAL  82          HG22      VAL  82  76.626  -5.057   2.870
  613   3HG2  VAL  82          HG21      VAL  82  75.805  -4.800   4.410
  614    H    ARG  83           HN       ARG  83  71.952  -4.459   3.991
  615    HA   ARG  83           HA       ARG  83  72.239  -6.796   5.656
  616   1HB   ARG  83           HB2      ARG  83  70.499  -4.374   5.453
  617   2HB   ARG  83           HB1      ARG  83  69.943  -5.692   6.487
  618   1HG   ARG  83           HG2      ARG  83  72.147  -5.666   7.646
  619   2HG   ARG  83           HG1      ARG  83  72.617  -4.279   6.665
  620   1HD   ARG  83           HD2      ARG  83  71.757  -3.094   8.445
  621   2HD   ARG  83           HD1      ARG  83  70.211  -3.412   7.630
  622    HE   ARG  83           HE       ARG  83  70.962  -4.543  10.136
  623   1HH1  ARG  83          HH11      ARG  83  71.354  -7.089   8.989
  624   2HH1  ARG  83          HH12      ARG  83  69.766  -7.731   8.730
  625   1HH2  ARG  83          HH21      ARG  83  68.196  -4.648   8.968
  626   2HH2  ARG  83          HH22      ARG  83  67.977  -6.348   8.715
  627    H    CYS  84           HN       CYS  84  70.338  -6.132   2.839
  628    HA   CYS  84           HA       CYS  84  68.404  -8.309   3.427
  629   1HB   CYS  84           HB2      CYS  84  67.589  -6.202   2.511
  630   2HB   CYS  84           HB1      CYS  84  68.725  -6.311   1.167
  631    HG   CYS  84           HG       CYS  84  66.274  -7.250   0.523
  632    H    MET  85           HN       MET  85  71.208  -7.635   1.396
  633    HA   MET  85           HA       MET  85  70.805 -10.133  -0.157
  634   1HB   MET  85           HB2      MET  85  72.672  -9.252  -1.468
  635   2HB   MET  85           HB1      MET  85  71.506  -7.960  -1.184
  636   1HG   MET  85           HG2      MET  85  72.855  -7.100   0.664
  637   2HG   MET  85           HG1      MET  85  73.994  -8.435   0.483
  638   1HE   MET  85           HE3      MET  85  72.471  -5.301  -0.713
  639   2HE   MET  85           HE2      MET  85  73.348  -4.776  -2.148
  640   3HE   MET  85           HE1      MET  85  72.167  -6.077  -2.274
  641    H    LYS  86           HN       LYS  86  72.464  -9.055   2.661
  642    HA   LYS  86           HA       LYS  86  74.292 -11.430   2.547
  643   1HB   LYS  86           HB2      LYS  86  75.312  -9.149   2.604
  644   2HB   LYS  86           HB1      LYS  86  74.496  -8.856   4.141
  645   1HG   LYS  86           HG2      LYS  86  76.221  -9.834   5.200
  646   2HG   LYS  86           HG1      LYS  86  75.810 -11.351   4.398
  647   1HD   LYS  86           HD2      LYS  86  77.097 -10.058   2.378
  648   2HD   LYS  86           HD1      LYS  86  77.955  -9.409   3.775
  649   1HE   LYS  86           HE2      LYS  86  78.720 -11.529   4.453
  650   2HE   LYS  86           HE1      LYS  86  77.459 -12.378   3.537
  651   1HZ   LYS  86           HZ2      LYS  86  78.660 -10.919   1.625
  652   2HZ   LYS  86           HZ1      LYS  86  79.982 -11.301   2.620
  653   3HZ   LYS  86           HZ3      LYS  86  79.033 -12.542   1.962
  654    H    ASP  87           HN       ASP  87  73.106 -13.025   3.617
  655    HA   ASP  87           HA       ASP  87  71.647 -12.337   6.109
  656   1HB   ASP  87           HB2      ASP  87  71.955 -14.987   4.665
  657   2HB   ASP  87           HB1      ASP  87  70.698 -14.544   5.821
  658    H    ASP  88           HN       ASP  88  73.968 -14.892   5.118
  659    HA   ASP  88           HA       ASP  88  74.854 -15.139   7.946
  660   1HB   ASP  88           HB2      ASP  88  74.280 -16.924   5.938
  661   2HB   ASP  88           HB1      ASP  88  76.039 -16.831   5.835
  662    H    SER  89           HN       SER  89  77.402 -15.727   7.944
  663    HA   SER  89           HA       SER  89  79.132 -14.390   6.085
  664   1HB   SER  89           HB2      SER  89  79.274 -12.261   6.947
  665   2HB   SER  89           HB1      SER  89  77.641 -12.625   7.499
  666    HG   SER  89           HG       SER  89  79.068 -11.852   9.166
   
  No H/Q in entry =         666
  Start of MODEL    4
    1   1H    MET   1           HT1      MET   1  86.495  -0.098  17.388
    2   2H    MET   1           HT3      MET   1  88.022   0.287  16.755
    3   3H    MET   1           HT2      MET   1  86.836   1.495  16.906
    4    HA   MET   1           HA       MET   1  86.773   0.971  14.641
    5   1HB   MET   1           HB2      MET   1  86.946  -1.388  13.921
    6   2HB   MET   1           HB1      MET   1  88.297  -0.958  14.972
    7   1HG   MET   1           HG2      MET   1  87.730  -2.692  16.292
    8   2HG   MET   1           HG1      MET   1  86.252  -1.822  16.702
    9   1HE   MET   1           HE2      MET   1  87.426  -3.082  13.235
   10   2HE   MET   1           HE1      MET   1  87.996  -4.335  14.333
   11   3HE   MET   1           HE3      MET   1  86.737  -4.701  13.145
   12    H    ASP   2           HN       ASP   2  84.681   1.741  16.172
   13    HA   ASP   2           HA       ASP   2  82.503  -0.159  16.337
   14   1HB   ASP   2           HB2      ASP   2  82.372   2.863  16.185
   15   2HB   ASP   2           HB1      ASP   2  81.262   1.778  17.026
   16    H    ASP   3           HN       ASP   3  83.056  -0.819  13.910
   17    HA   ASP   3           HA       ASP   3  80.967   0.432  12.229
   18   1HB   ASP   3           HB2      ASP   3  82.648   0.791  10.398
   19   2HB   ASP   3           HB1      ASP   3  82.940   1.804  11.812
   20    H    ILE   4           HN       ILE   4  79.857  -1.414  11.688
   21    HA   ILE   4           HA       ILE   4  81.452  -3.800  10.806
   22    HB   ILE   4           HB       ILE   4  78.760  -3.527  12.179
   23   1HG1  ILE   4          HG12      ILE   4  81.426  -4.700  13.035
   24   2HG1  ILE   4          HG11      ILE   4  80.675  -3.237  13.673
   25   1HG2  ILE   4          HG23      ILE   4  79.277  -5.444  10.365
   26   2HG2  ILE   4          HG22      ILE   4  80.056  -6.178  11.767
   27   3HG2  ILE   4          HG21      ILE   4  78.343  -5.760  11.828
   28   1HD1  ILE   4          HD12      ILE   4  79.204  -5.861  13.763
   29   2HD1  ILE   4          HD11      ILE   4  80.389  -5.460  15.005
   30   3HD1  ILE   4          HD13      ILE   4  78.977  -4.432  14.769
   31    H    TYR   5           HN       TYR   5  78.035  -2.796  10.475
   32    HA   TYR   5           HA       TYR   5  77.674  -3.886   7.872
   33   1HB   TYR   5           HB2      TYR   5  76.339  -1.789   9.572
   34   2HB   TYR   5           HB1      TYR   5  75.757  -2.093   7.935
   35    HD1  TYR   5           HD1      TYR   5  76.209  -3.527  11.303
   36    HD2  TYR   5           HD2      TYR   5  74.707  -4.206   7.336
   37    HE1  TYR   5           HE1      TYR   5  74.988  -5.528  12.108
   38    HE2  TYR   5           HE2      TYR   5  73.484  -6.207   8.142
   39    HH   TYR   5           HH       TYR   5  73.977  -7.888  10.365
   40    H    LYS   6           HN       LYS   6  78.628  -0.612   8.915
   41    HA   LYS   6           HA       LYS   6  78.532   0.747   6.451
   42   1HB   LYS   6           HB2      LYS   6  80.496   0.909   8.759
   43   2HB   LYS   6           HB1      LYS   6  80.328   2.147   7.513
   44   1HG   LYS   6           HG2      LYS   6  77.782   2.058   8.168
   45   2HG   LYS   6           HG1      LYS   6  78.390   1.357   9.668
   46   1HD   LYS   6           HD2      LYS   6  79.759   3.807   8.663
   47   2HD   LYS   6           HD1      LYS   6  78.143   4.007   9.342
   48   1HE   LYS   6           HE2      LYS   6  78.975   3.813  11.436
   49   2HE   LYS   6           HE1      LYS   6  79.683   2.237  11.031
   50   1HZ   LYS   6           HZ2      LYS   6  81.507   3.401   9.922
   51   2HZ   LYS   6           HZ1      LYS   6  80.853   4.896  10.395
   52   3HZ   LYS   6           HZ3      LYS   6  81.426   3.813  11.569
   53    H    ALA   7           HN       ALA   7  81.040  -1.435   7.714
   54    HA   ALA   7           HA       ALA   7  83.037  -0.968   5.732
   55   1HB   ALA   7           HB3      ALA   7  82.958  -2.340   7.978
   56   2HB   ALA   7           HB2      ALA   7  82.477  -3.673   6.927
   57   3HB   ALA   7           HB1      ALA   7  84.028  -2.871   6.682
   58    H    ALA   8           HN       ALA   8  80.084  -2.891   5.681
   59    HA   ALA   8           HA       ALA   8  80.758  -4.331   3.225
   60   1HB   ALA   8           HB3      ALA   8  78.861  -4.422   5.329
   61   2HB   ALA   8           HB2      ALA   8  77.940  -4.194   3.842
   62   3HB   ALA   8           HB1      ALA   8  79.035  -5.569   4.000
   63    H    VAL   9           HN       VAL   9  78.828  -1.471   4.088
   64    HA   VAL   9           HA       VAL   9  77.576  -1.021   1.569
   65    HB   VAL   9           HB       VAL   9  78.561   0.942   3.667
   66   1HG1  VAL   9          HG11      VAL   9  77.801   1.886   1.437
   67   2HG1  VAL   9          HG13      VAL   9  76.215   1.188   1.767
   68   3HG1  VAL   9          HG12      VAL   9  76.869   2.433   2.831
   69   1HG2  VAL   9          HG22      VAL   9  76.734  -1.188   3.903
   70   2HG2  VAL   9          HG21      VAL   9  76.943   0.153   5.028
   71   3HG2  VAL   9          HG23      VAL   9  75.743   0.262   3.741
   72    H    GLU  10           HN       GLU  10  80.792  -0.105   2.779
   73    HA   GLU  10           HA       GLU  10  81.449   1.554   0.474
   74   1HB   GLU  10           HB2      GLU  10  82.474   0.885   3.050
   75   2HB   GLU  10           HB1      GLU  10  83.742   0.534   1.873
   76   1HG   GLU  10           HG2      GLU  10  82.712   2.957   0.993
   77   2HG   GLU  10           HG1      GLU  10  82.686   3.120   2.749
   78    H    GLN  11           HN       GLN  11  81.573  -1.851   1.192
   79    HA   GLN  11           HA       GLN  11  83.654  -2.612  -0.654
   80   1HB   GLN  11           HB2      GLN  11  81.838  -3.777   1.213
   81   2HB   GLN  11           HB1      GLN  11  81.653  -4.641  -0.314
   82   1HG   GLN  11           HG2      GLN  11  83.703  -5.591  -0.153
   83   2HG   GLN  11           HG1      GLN  11  84.452  -4.081   0.366
   84   1HE2  GLN  11          HE22      GLN  11  84.123  -4.793   3.840
   85   2HE2  GLN  11          HE21      GLN  11  84.414  -3.576   2.694
   86    H    LEU  12           HN       LEU  12  80.363  -1.622  -1.101
   87    HA   LEU  12           HA       LEU  12  79.696  -3.038  -3.495
   88   1HB   LEU  12           HB2      LEU  12  78.935  -0.257  -2.537
   89   2HB   LEU  12           HB1      LEU  12  78.052  -1.203  -3.735
   90    HG   LEU  12           HG       LEU  12  78.541  -2.049  -0.864
   91   1HD1  LEU  12          HD11      LEU  12  76.624  -0.263  -1.990
   92   2HD1  LEU  12          HD13      LEU  12  75.779  -1.752  -1.566
   93   3HD1  LEU  12          HD12      LEU  12  76.694  -0.876  -0.338
   94   1HD2  LEU  12          HD22      LEU  12  77.557  -3.409  -3.284
   95   2HD2  LEU  12          HD21      LEU  12  78.150  -4.096  -1.771
   96   3HD2  LEU  12          HD23      LEU  12  76.476  -3.555  -1.898
   97    H    THR  13           HN       THR  13  80.237  -2.646  -5.640
   98    HA   THR  13           HA       THR  13  82.559  -1.078  -6.280
   99    HB   THR  13           HB       THR  13  81.139  -1.532  -8.637
  100    HG1  THR  13           HG1      THR  13  80.608  -3.888  -7.913
  101   1HG2  THR  13          HG23      THR  13  83.365  -2.665  -7.154
  102   2HG2  THR  13          HG22      THR  13  82.518  -3.902  -8.082
  103   3HG2  THR  13          HG21      THR  13  83.165  -2.478  -8.896
  104    H    GLU  14           HN       GLU  14  82.719   1.017  -7.079
  105    HA   GLU  14           HA       GLU  14  80.782   2.978  -6.536
  106   1HB   GLU  14           HB2      GLU  14  83.156   2.706  -8.347
  107   2HB   GLU  14           HB1      GLU  14  82.163   4.160  -8.471
  108   1HG   GLU  14           HG2      GLU  14  82.730   4.899  -6.362
  109   2HG   GLU  14           HG1      GLU  14  82.954   3.266  -5.737
  110    H    GLU  15           HN       GLU  15  81.531   1.628  -9.782
  111    HA   GLU  15           HA       GLU  15  79.463   2.867 -11.226
  112   1HB   GLU  15           HB2      GLU  15  79.735   0.864 -12.727
  113   2HB   GLU  15           HB1      GLU  15  81.265   1.597 -12.245
  114   1HG   GLU  15           HG2      GLU  15  80.726  -0.238 -10.214
  115   2HG   GLU  15           HG1      GLU  15  80.247  -1.077 -11.690
  116    H    GLN  16           HN       GLN  16  79.267   0.230  -8.926
  117    HA   GLN  16           HA       GLN  16  76.665  -0.757  -9.785
  118   1HB   GLN  16           HB2      GLN  16  78.390  -2.041  -8.512
  119   2HB   GLN  16           HB1      GLN  16  78.123  -0.978  -7.130
  120   1HG   GLN  16           HG2      GLN  16  76.757  -2.879  -6.710
  121   2HG   GLN  16           HG1      GLN  16  75.647  -1.642  -7.302
  122   1HE2  GLN  16          HE22      GLN  16  74.840  -4.674  -9.256
  123   2HE2  GLN  16          HE21      GLN  16  74.678  -4.148  -7.650
  124    H    LYS  17           HN       LYS  17  77.536   0.833  -6.689
  125    HA   LYS  17           HA       LYS  17  74.895   1.595  -5.992
  126   1HB   LYS  17           HB2      LYS  17  76.015   2.990  -4.362
  127   2HB   LYS  17           HB1      LYS  17  76.999   1.542  -4.579
  128   1HG   LYS  17           HG2      LYS  17  78.202   2.970  -6.424
  129   2HG   LYS  17           HG1      LYS  17  77.512   4.337  -5.548
  130   1HD   LYS  17           HD2      LYS  17  78.500   2.862  -3.480
  131   2HD   LYS  17           HD1      LYS  17  79.671   2.482  -4.744
  132   1HE   LYS  17           HE2      LYS  17  80.426   4.475  -3.532
  133   2HE   LYS  17           HE1      LYS  17  79.918   4.960  -5.162
  134   1HZ   LYS  17           HZ3      LYS  17  77.760   4.836  -3.258
  135   2HZ   LYS  17           HZ2      LYS  17  78.930   6.002  -2.866
  136   3HZ   LYS  17           HZ1      LYS  17  78.148   6.054  -4.372
  137    H    ASN  18           HN       ASN  18  77.290   3.184  -8.051
  138    HA   ASN  18           HA       ASN  18  76.182   5.776  -8.247
  139   1HB   ASN  18           HB2      ASN  18  77.820   3.929  -9.923
  140   2HB   ASN  18           HB1      ASN  18  77.130   5.335 -10.736
  141   1HD2  ASN  18          HD22      ASN  18  80.390   6.450  -9.371
  142   2HD2  ASN  18          HD21      ASN  18  79.860   5.368 -10.567
  143    H    GLU  19           HN       GLU  19  75.266   2.756  -9.878
  144    HA   GLU  19           HA       GLU  19  73.340   3.926 -11.681
  145   1HB   GLU  19           HB2      GLU  19  74.449   1.383 -10.994
  146   2HB   GLU  19           HB1      GLU  19  72.693   1.230 -10.934
  147   1HG   GLU  19           HG2      GLU  19  72.431   1.758 -13.184
  148   2HG   GLU  19           HG1      GLU  19  73.943   2.664 -13.252
  149    H    PHE  20           HN       PHE  20  73.048   2.360  -8.479
  150    HA   PHE  20           HA       PHE  20  70.239   2.473  -8.178
  151   1HB   PHE  20           HB2      PHE  20  72.637   2.544  -6.367
  152   2HB   PHE  20           HB1      PHE  20  71.030   2.751  -5.668
  153    HD1  PHE  20           HD1      PHE  20  71.820   0.711  -8.670
  154    HD2  PHE  20           HD2      PHE  20  70.859   0.673  -4.483
  155    HE1  PHE  20           HE1      PHE  20  71.458  -1.739  -8.774
  156    HE2  PHE  20           HE2      PHE  20  70.496  -1.777  -4.587
  157    HZ   PHE  20           HZ       PHE  20  70.796  -2.984  -6.733
  158    H    LYS  21           HN       LYS  21  72.714   4.961  -7.584
  159    HA   LYS  21           HA       LYS  21  71.312   6.951  -6.253
  160   1HB   LYS  21           HB2      LYS  21  73.695   6.889  -7.218
  161   2HB   LYS  21           HB1      LYS  21  72.981   7.443  -8.733
  162   1HG   LYS  21           HG2      LYS  21  72.486   9.530  -7.900
  163   2HG   LYS  21           HG1      LYS  21  72.247   8.934  -6.257
  164   1HD   LYS  21           HD2      LYS  21  74.274  10.203  -6.206
  165   2HD   LYS  21           HD1      LYS  21  74.761   8.508  -6.185
  166   1HE   LYS  21           HE2      LYS  21  76.168   9.474  -7.839
  167   2HE   LYS  21           HE1      LYS  21  74.856   8.750  -8.790
  168   1HZ   LYS  21           HZ3      LYS  21  74.706  11.517  -7.750
  169   2HZ   LYS  21           HZ2      LYS  21  75.382  11.168  -9.269
  170   3HZ   LYS  21           HZ1      LYS  21  73.754  10.798  -8.955
  171    H    ALA  22           HN       ALA  22  71.449   6.731  -9.832
  172    HA   ALA  22           HA       ALA  22  69.473   8.624 -10.451
  173   1HB   ALA  22           HB2      ALA  22  71.077   7.002 -11.838
  174   2HB   ALA  22           HB1      ALA  22  69.603   6.044 -11.964
  175   3HB   ALA  22           HB3      ALA  22  69.634   7.698 -12.574
  176    H    ALA  23           HN       ALA  23  69.066   5.173  -9.643
  177    HA   ALA  23           HA       ALA  23  66.214   5.088 -10.039
  178   1HB   ALA  23           HB2      ALA  23  67.942   3.197  -9.865
  179   2HB   ALA  23           HB1      ALA  23  67.870   3.433  -8.119
  180   3HB   ALA  23           HB3      ALA  23  66.427   2.938  -9.002
  181    H    PHE  24           HN       PHE  24  68.245   5.600  -7.140
  182    HA   PHE  24           HA       PHE  24  66.351   5.718  -5.112
  183   1HB   PHE  24           HB2      PHE  24  68.661   6.025  -4.623
  184   2HB   PHE  24           HB1      PHE  24  68.801   7.372  -5.752
  185    HD1  PHE  24           HD2      PHE  24  67.450   9.510  -5.245
  186    HD2  PHE  24           HD1      PHE  24  68.156   6.415  -2.352
  187    HE1  PHE  24           HE2      PHE  24  66.922  11.100  -3.417
  188    HE2  PHE  24           HE1      PHE  24  67.629   8.005  -0.523
  189    HZ   PHE  24           HZ       PHE  24  67.011  10.347  -1.055
  190    H    ASP  25           HN       ASP  25  67.117   8.262  -7.490
  191    HA   ASP  25           HA       ASP  25  65.296  10.228  -6.406
  192   1HB   ASP  25           HB2      ASP  25  66.627   9.797  -9.095
  193   2HB   ASP  25           HB1      ASP  25  65.706  11.247  -8.695
  194    H    ILE  26           HN       ILE  26  64.766   7.337  -8.143
  195    HA   ILE  26           HA       ILE  26  62.366   8.238  -9.572
  196    HB   ILE  26           HB       ILE  26  63.608   5.527  -9.044
  197   1HG1  ILE  26          HG12      ILE  26  63.864   7.610 -11.215
  198   2HG1  ILE  26          HG11      ILE  26  65.145   6.781 -10.333
  199   1HG2  ILE  26          HG23      ILE  26  61.063   5.801  -9.703
  200   2HG2  ILE  26          HG22      ILE  26  61.729   6.147 -11.299
  201   3HG2  ILE  26          HG21      ILE  26  62.064   4.600 -10.520
  202   1HD1  ILE  26          HD12      ILE  26  63.783   4.691 -11.506
  203   2HD1  ILE  26          HD11      ILE  26  63.691   5.947 -12.738
  204   3HD1  ILE  26          HD13      ILE  26  65.262   5.417 -12.136
  205    H    PHE  27           HN       PHE  27  63.138   6.557  -6.545
  206    HA   PHE  27           HA       PHE  27  60.378   5.755  -6.020
  207   1HB   PHE  27           HB2      PHE  27  62.694   6.009  -4.088
  208   2HB   PHE  27           HB1      PHE  27  61.337   4.884  -4.004
  209    HD1  PHE  27           HD2      PHE  27  61.079   3.653  -6.533
  210    HD2  PHE  27           HD1      PHE  27  64.693   4.916  -4.583
  211    HE1  PHE  27           HE2      PHE  27  62.371   1.997  -7.853
  212    HE2  PHE  27           HE1      PHE  27  65.983   3.261  -5.902
  213    HZ   PHE  27           HZ       PHE  27  64.822   1.802  -7.537
  214    H    VAL  28           HN       VAL  28  62.453   8.500  -5.206
  215    HA   VAL  28           HA       VAL  28  60.696   9.586  -3.159
  216    HB   VAL  28           HB       VAL  28  62.278  11.395  -3.205
  217   1HG1  VAL  28          HG13      VAL  28  63.026   8.762  -2.907
  218   2HG1  VAL  28          HG12      VAL  28  64.206   9.358  -4.074
  219   3HG1  VAL  28          HG11      VAL  28  64.038  10.150  -2.508
  220   1HG2  VAL  28          HG21      VAL  28  62.482  10.599  -6.036
  221   2HG2  VAL  28          HG23      VAL  28  62.705  12.184  -5.297
  222   3HG2  VAL  28          HG22      VAL  28  64.024  11.013  -5.289
  223    H    LEU  29           HN       LEU  29  60.214   9.262  -6.425
  224    HA   LEU  29           HA       LEU  29  59.445  11.693  -7.516
  225   1HB   LEU  29           HB2      LEU  29  58.940   8.914  -7.887
  226   2HB   LEU  29           HB1      LEU  29  57.389   9.745  -8.005
  227    HG   LEU  29           HG       LEU  29  58.336  11.304  -9.657
  228   1HD1  LEU  29          HD11      LEU  29  60.826   9.981  -8.781
  229   2HD1  LEU  29          HD13      LEU  29  60.691  10.208 -10.525
  230   3HD1  LEU  29          HD12      LEU  29  60.584  11.597  -9.444
  231   1HD2  LEU  29          HD23      LEU  29  58.263   8.370 -10.036
  232   2HD2  LEU  29          HD22      LEU  29  57.440   9.642 -10.939
  233   3HD2  LEU  29          HD21      LEU  29  59.126   9.262 -11.289
  234    H    GLY  30           HN       GLY  30  57.789   9.859  -4.987
  235   1HA   GLY  30           HA2      GLY  30  55.634  11.919  -4.919
  236   2HA   GLY  30           HA1      GLY  30  55.539  10.330  -4.158
  237    H    ALA  31           HN       ALA  31  58.572  11.831  -3.755
  238    HA   ALA  31           HA       ALA  31  58.035  12.213  -0.876
  239   1HB   ALA  31           HB2      ALA  31  60.043  11.041  -1.815
  240   2HB   ALA  31           HB1      ALA  31  60.553  12.568  -2.534
  241   3HB   ALA  31           HB3      ALA  31  60.471  12.403  -0.781
  242    H    GLU  32           HN       GLU  32  58.646  14.255   0.197
  243    HA   GLU  32           HA       GLU  32  57.825  16.610  -1.373
  244   1HB   GLU  32           HB2      GLU  32  58.678  16.299   1.524
  245   2HB   GLU  32           HB1      GLU  32  57.797  17.664   0.836
  246   1HG   GLU  32           HG2      GLU  32  55.849  16.591   1.165
  247   2HG   GLU  32           HG1      GLU  32  56.402  15.256   0.154
  248    H    ASP  33           HN       ASP  33  60.685  15.657   0.575
  249    HA   ASP  33           HA       ASP  33  62.224  17.867  -0.719
  250   1HB   ASP  33           HB2      ASP  33  63.822  17.324   1.170
  251   2HB   ASP  33           HB1      ASP  33  62.223  17.849   1.700
  252    H    GLY  34           HN       GLY  34  61.962  14.386  -0.544
  253   1HA   GLY  34           HA2      GLY  34  62.994  13.295  -2.616
  254   2HA   GLY  34           HA1      GLY  34  64.471  14.144  -2.155
  255    H    CYS  35           HN       CYS  35  62.242  11.572  -1.203
  256    HA   CYS  35           HA       CYS  35  64.477  10.211   0.185
  257   1HB   CYS  35           HB2      CYS  35  62.060  11.445   1.455
  258   2HB   CYS  35           HB1      CYS  35  62.672   9.933   2.127
  259    HG   CYS  35           HG       CYS  35  64.083  11.667   3.345
  260    H    ILE  36           HN       ILE  36  63.880   7.938   0.714
  261    HA   ILE  36           HA       ILE  36  61.687   6.937  -1.071
  262    HB   ILE  36           HB       ILE  36  63.975   5.263  -0.067
  263   1HG1  ILE  36          HG12      ILE  36  64.144   7.176  -2.420
  264   2HG1  ILE  36          HG11      ILE  36  64.996   7.382  -0.887
  265   1HG2  ILE  36          HG22      ILE  36  61.878   5.097  -2.052
  266   2HG2  ILE  36          HG21      ILE  36  63.457   4.905  -2.816
  267   3HG2  ILE  36          HG23      ILE  36  62.979   3.837  -1.495
  268   1HD1  ILE  36          HD13      ILE  36  65.372   4.719  -2.055
  269   2HD1  ILE  36          HD12      ILE  36  65.974   6.017  -3.087
  270   3HD1  ILE  36          HD11      ILE  36  66.572   5.854  -1.436
  271    H    SER  37           HN       SER  37  60.450   7.549   1.092
  272    HA   SER  37           HA       SER  37  60.669   6.191   3.518
  273   1HB   SER  37           HB2      SER  37  58.267   6.621   3.697
  274   2HB   SER  37           HB1      SER  37  59.036   7.971   2.867
  275    HG   SER  37           HG       SER  37  57.070   7.071   1.880
  276    H    THR  38           HN       THR  38  58.990   4.397   4.209
  277    HA   THR  38           HA       THR  38  59.660   1.962   2.814
  278    HB   THR  38           HB       THR  38  58.359   0.954   4.556
  279    HG1  THR  38           HG1      THR  38  56.608   1.854   5.309
  280   1HG2  THR  38          HG23      THR  38  60.352   2.691   5.113
  281   2HG2  THR  38          HG22      THR  38  59.045   3.432   6.038
  282   3HG2  THR  38          HG21      THR  38  59.515   1.762   6.357
  283    H    LYS  39           HN       LYS  39  56.643   3.870   3.054
  284    HA   LYS  39           HA       LYS  39  54.836   2.300   1.660
  285   1HB   LYS  39           HB2      LYS  39  55.320   5.127   2.188
  286   2HB   LYS  39           HB1      LYS  39  54.486   4.889   0.652
  287   1HG   LYS  39           HG2      LYS  39  53.440   3.176   2.784
  288   2HG   LYS  39           HG1      LYS  39  53.278   4.895   3.147
  289   1HD   LYS  39           HD2      LYS  39  51.592   5.091   1.670
  290   2HD   LYS  39           HD1      LYS  39  52.600   4.426   0.384
  291   1HE   LYS  39           HE2      LYS  39  52.057   2.143   1.740
  292   2HE   LYS  39           HE1      LYS  39  50.577   3.063   2.084
  293   1HZ   LYS  39           HZ1      LYS  39  50.745   3.676  -0.409
  294   2HZ   LYS  39           HZ3      LYS  39  51.708   2.284  -0.523
  295   3HZ   LYS  39           HZ2      LYS  39  50.105   2.164   0.027
  296    H    GLU  40           HN       GLU  40  57.404   4.338   0.253
  297    HA   GLU  40           HA       GLU  40  56.713   3.349  -2.467
  298   1HB   GLU  40           HB2      GLU  40  57.892   5.704  -1.237
  299   2HB   GLU  40           HB1      GLU  40  58.921   5.090  -2.531
  300   1HG   GLU  40           HG2      GLU  40  57.521   6.285  -3.877
  301   2HG   GLU  40           HG1      GLU  40  56.470   4.881  -3.700
  302    H    LEU  41           HN       LEU  41  57.773   1.378  -0.716
  303    HA   LEU  41           HA       LEU  41  60.529   0.990  -1.843
  304   1HB   LEU  41           HB2      LEU  41  60.271   1.477   0.646
  305   2HB   LEU  41           HB1      LEU  41  59.430  -0.068   0.776
  306    HG   LEU  41           HG       LEU  41  61.898  -0.191   1.287
  307   1HD1  LEU  41          HD12      LEU  41  60.283  -1.981   0.023
  308   2HD1  LEU  41          HD11      LEU  41  61.578  -1.827  -1.163
  309   3HD1  LEU  41          HD13      LEU  41  61.948  -2.330   0.486
  310   1HD2  LEU  41          HD23      LEU  41  62.459   1.498  -0.550
  311   2HD2  LEU  41          HD22      LEU  41  63.494   0.072  -0.479
  312   3HD2  LEU  41          HD21      LEU  41  62.226   0.181  -1.699
  313    H    GLY  42           HN       GLY  42  57.563  -0.656  -0.709
  314   1HA   GLY  42           HA2      GLY  42  58.147  -3.296  -1.390
  315   2HA   GLY  42           HA1      GLY  42  56.532  -2.600  -1.545
  316    H    LYS  43           HN       LYS  43  56.249  -1.204  -3.596
  317    HA   LYS  43           HA       LYS  43  56.557  -2.737  -5.925
  318   1HB   LYS  43           HB2      LYS  43  55.899  -0.712  -7.055
  319   2HB   LYS  43           HB1      LYS  43  55.132  -0.676  -5.466
  320   1HG   LYS  43           HG2      LYS  43  57.122   0.669  -4.651
  321   2HG   LYS  43           HG1      LYS  43  57.628   0.801  -6.335
  322   1HD   LYS  43           HD2      LYS  43  55.480   1.860  -6.910
  323   2HD   LYS  43           HD1      LYS  43  54.954   1.716  -5.233
  324   1HE   LYS  43           HE2      LYS  43  56.889   3.135  -4.532
  325   2HE   LYS  43           HE1      LYS  43  57.310   3.351  -6.243
  326   1HZ   LYS  43           HZ1      LYS  43  54.877   4.004  -6.521
  327   2HZ   LYS  43           HZ3      LYS  43  54.849   4.195  -4.837
  328   3HZ   LYS  43           HZ2      LYS  43  55.903   5.137  -5.779
  329    H    VAL  44           HN       VAL  44  58.787  -0.361  -4.514
  330    HA   VAL  44           HA       VAL  44  60.605  -0.149  -6.707
  331    HB   VAL  44           HB       VAL  44  60.958   0.045  -3.698
  332   1HG1  VAL  44          HG11      VAL  44  62.858   0.304  -5.938
  333   2HG1  VAL  44          HG13      VAL  44  62.847   1.682  -4.837
  334   3HG1  VAL  44          HG12      VAL  44  63.171   0.062  -4.219
  335   1HG2  VAL  44          HG22      VAL  44  60.062   1.884  -5.876
  336   2HG2  VAL  44          HG21      VAL  44  59.519   1.782  -4.202
  337   3HG2  VAL  44          HG23      VAL  44  61.049   2.572  -4.587
  338    H    MET  45           HN       MET  45  60.821  -2.211  -3.774
  339    HA   MET  45           HA       MET  45  63.133  -3.654  -4.336
  340   1HB   MET  45           HB2      MET  45  60.500  -4.253  -3.029
  341   2HB   MET  45           HB1      MET  45  61.666  -5.564  -3.217
  342   1HG   MET  45           HG2      MET  45  62.720  -2.987  -2.169
  343   2HG   MET  45           HG1      MET  45  61.682  -3.914  -1.087
  344   1HE   MET  45           HE3      MET  45  64.816  -3.077  -2.262
  345   2HE   MET  45           HE2      MET  45  65.024  -3.388  -0.540
  346   3HE   MET  45           HE1      MET  45  65.966  -4.304  -1.714
  347    H    ARG  46           HN       ARG  46  59.942  -3.999  -5.822
  348    HA   ARG  46           HA       ARG  46  60.443  -6.493  -7.181
  349   1HB   ARG  46           HB2      ARG  46  58.609  -4.166  -7.847
  350   2HB   ARG  46           HB1      ARG  46  58.440  -5.814  -8.453
  351   1HG   ARG  46           HG2      ARG  46  58.602  -5.432  -5.495
  352   2HG   ARG  46           HG1      ARG  46  57.097  -4.984  -6.301
  353   1HD   ARG  46           HD2      ARG  46  58.396  -7.653  -6.863
  354   2HD   ARG  46           HD1      ARG  46  57.315  -7.437  -5.471
  355    HE   ARG  46           HE       ARG  46  56.528  -7.199  -8.318
  356   1HH1  ARG  46          HH11      ARG  46  54.650  -5.535  -8.116
  357   2HH1  ARG  46          HH12      ARG  46  53.446  -6.035  -6.976
  358   1HH2  ARG  46          HH21      ARG  46  55.475  -8.416  -5.479
  359   2HH2  ARG  46          HH22      ARG  46  53.914  -7.667  -5.482
  360    H    MET  47           HN       MET  47  60.896  -3.077  -8.081
  361    HA   MET  47           HA       MET  47  61.610  -3.492 -10.819
  362   1HB   MET  47           HB2      MET  47  62.418  -1.381  -8.791
  363   2HB   MET  47           HB1      MET  47  62.611  -1.220 -10.537
  364   1HG   MET  47           HG2      MET  47  59.926  -2.034 -10.052
  365   2HG   MET  47           HG1      MET  47  60.278  -0.701  -8.953
  366   1HE   MET  47           HE3      MET  47  61.700   1.033  -9.504
  367   2HE   MET  47           HE2      MET  47  62.165   1.633 -11.095
  368   3HE   MET  47           HE1      MET  47  60.669   2.194 -10.353
  369    H    LEU  48           HN       LEU  48  63.806  -2.784  -8.068
  370    HA   LEU  48           HA       LEU  48  66.257  -3.275  -9.311
  371   1HB   LEU  48           HB2      LEU  48  65.354  -3.999  -6.504
  372   2HB   LEU  48           HB1      LEU  48  67.029  -3.770  -7.007
  373    HG   LEU  48           HG       LEU  48  64.826  -1.698  -6.915
  374   1HD1  LEU  48          HD12      LEU  48  66.136  -2.194  -4.838
  375   2HD1  LEU  48          HD11      LEU  48  67.607  -1.761  -5.709
  376   3HD1  LEU  48          HD13      LEU  48  66.363  -0.545  -5.421
  377   1HD2  LEU  48          HD21      LEU  48  67.498  -1.676  -8.329
  378   2HD2  LEU  48          HD23      LEU  48  65.916  -1.233  -8.974
  379   3HD2  LEU  48          HD22      LEU  48  66.718  -0.184  -7.806
  380    H    GLY  49           HN       GLY  49  64.867  -5.733  -7.117
  381   1HA   GLY  49           HA2      GLY  49  64.586  -7.887  -8.858
  382   2HA   GLY  49           HA1      GLY  49  66.304  -7.863  -8.460
  383    H    GLN  50           HN       GLN  50  63.606  -6.982  -6.318
  384    HA   GLN  50           HA       GLN  50  64.215  -9.409  -4.670
  385   1HB   GLN  50           HB2      GLN  50  63.991  -6.508  -3.809
  386   2HB   GLN  50           HB1      GLN  50  64.065  -7.862  -2.684
  387   1HG   GLN  50           HG2      GLN  50  66.173  -7.936  -4.725
  388   2HG   GLN  50           HG1      GLN  50  66.257  -6.516  -3.683
  389   1HE2  GLN  50          HE22      GLN  50  68.139  -9.099  -1.854
  390   2HE2  GLN  50          HE21      GLN  50  68.345  -8.130  -3.233
  391    H    ASN  51           HN       ASN  51  62.426  -9.868  -3.102
  392    HA   ASN  51           HA       ASN  51  59.802  -8.647  -3.845
  393   1HB   ASN  51           HB2      ASN  51  60.422 -11.617  -3.712
  394   2HB   ASN  51           HB1      ASN  51  58.865 -10.898  -4.126
  395   1HD2  ASN  51          HD22      ASN  51  61.130 -11.655  -7.177
  396   2HD2  ASN  51          HD21      ASN  51  60.925 -12.564  -5.758
  397    HA   PRO  52           HA       PRO  52  60.471  -9.390   0.709
  398   1HB   PRO  52           HB2      PRO  52  60.080  -6.798   1.494
  399   2HB   PRO  52           HB1      PRO  52  61.669  -7.438   1.029
  400   1HG   PRO  52           HG2      PRO  52  59.767  -5.774  -0.541
  401   2HG   PRO  52           HG1      PRO  52  61.535  -5.718  -0.482
  402   1HD   PRO  52           HD2      PRO  52  60.116  -6.886  -2.507
  403   2HD   PRO  52           HD1      PRO  52  61.767  -7.363  -2.052
  404    H    THR  53           HN       THR  53  58.795  -8.495   2.480
  405    HA   THR  53           HA       THR  53  56.072  -8.678   1.237
  406    HB   THR  53           HB       THR  53  55.579  -9.490   3.667
  407    HG1  THR  53           HG1      THR  53  58.242 -10.253   3.726
  408   1HG2  THR  53          HG23      THR  53  57.299 -11.022   1.704
  409   2HG2  THR  53          HG22      THR  53  56.519 -11.770   3.098
  410   3HG2  THR  53          HG21      THR  53  55.540 -11.039   1.826
  411    HA   PRO  54           HA       PRO  54  54.961  -4.803   2.970
  412   1HB   PRO  54           HB2      PRO  54  52.477  -5.269   4.033
  413   2HB   PRO  54           HB1      PRO  54  52.780  -5.170   2.286
  414   1HG   PRO  54           HG2      PRO  54  52.459  -7.574   4.017
  415   2HG   PRO  54           HG1      PRO  54  51.858  -7.275   2.378
  416   1HD   PRO  54           HD2      PRO  54  54.048  -8.795   2.895
  417   2HD   PRO  54           HD1      PRO  54  53.847  -7.862   1.396
  418    H    GLU  55           HN       GLU  55  55.023  -7.604   5.031
  419    HA   GLU  55           HA       GLU  55  54.722  -6.129   7.549
  420   1HB   GLU  55           HB2      GLU  55  54.268  -8.656   6.811
  421   2HB   GLU  55           HB1      GLU  55  55.942  -8.856   7.328
  422   1HG   GLU  55           HG2      GLU  55  55.168  -7.539   9.456
  423   2HG   GLU  55           HG1      GLU  55  53.551  -8.033   8.954
  424    H    GLU  56           HN       GLU  56  57.401  -7.718   5.790
  425    HA   GLU  56           HA       GLU  56  59.452  -6.888   7.669
  426   1HB   GLU  56           HB2      GLU  56  59.153  -8.301   5.101
  427   2HB   GLU  56           HB1      GLU  56  60.675  -7.424   5.250
  428   1HG   GLU  56           HG2      GLU  56  61.467  -9.084   6.544
  429   2HG   GLU  56           HG1      GLU  56  60.234  -8.694   7.744
  430    H    LEU  57           HN       LEU  57  58.031  -5.537   4.746
  431    HA   LEU  57           HA       LEU  57  59.810  -3.659   3.819
  432   1HB   LEU  57           HB2      LEU  57  57.180  -4.187   3.515
  433   2HB   LEU  57           HB1      LEU  57  57.065  -2.682   4.430
  434    HG   LEU  57           HG       LEU  57  59.020  -2.077   2.596
  435   1HD1  LEU  57          HD12      LEU  57  57.389  -4.293   1.564
  436   2HD1  LEU  57          HD11      LEU  57  57.413  -2.885   0.502
  437   3HD1  LEU  57          HD13      LEU  57  58.926  -3.659   0.974
  438   1HD2  LEU  57          HD23      LEU  57  56.966  -0.776   3.296
  439   2HD2  LEU  57          HD22      LEU  57  57.332  -0.678   1.574
  440   3HD2  LEU  57          HD21      LEU  57  56.041  -1.737   2.143
  441    H    GLN  58           HN       GLN  58  57.405  -2.682   6.287
  442    HA   GLN  58           HA       GLN  58  58.971  -0.382   7.101
  443   1HB   GLN  58           HB2      GLN  58  56.525  -0.473   7.176
  444   2HB   GLN  58           HB1      GLN  58  56.590  -1.816   8.318
  445   1HG   GLN  58           HG2      GLN  58  56.189   0.395   9.426
  446   2HG   GLN  58           HG1      GLN  58  57.656  -0.408   9.990
  447   1HE2  GLN  58          HE22      GLN  58  59.847   2.039   8.633
  448   2HE2  GLN  58          HE21      GLN  58  59.734   0.488   9.313
  449    H    GLU  59           HN       GLU  59  59.051  -3.717   7.995
  450    HA   GLU  59           HA       GLU  59  60.026  -3.315  10.722
  451   1HB   GLU  59           HB2      GLU  59  59.080  -5.409   9.055
  452   2HB   GLU  59           HB1      GLU  59  60.711  -5.861   9.555
  453   1HG   GLU  59           HG2      GLU  59  59.048  -4.715  11.706
  454   2HG   GLU  59           HG1      GLU  59  58.473  -6.260  11.080
  455    H    MET  60           HN       MET  60  61.530  -4.202   7.596
  456    HA   MET  60           HA       MET  60  64.226  -4.262   8.701
  457   1HB   MET  60           HB2      MET  60  63.057  -4.194   5.903
  458   2HB   MET  60           HB1      MET  60  64.774  -4.429   6.238
  459   1HG   MET  60           HG2      MET  60  62.709  -6.176   7.561
  460   2HG   MET  60           HG1      MET  60  63.278  -6.538   5.931
  461   1HE   MET  60           HE1      MET  60  64.982  -7.321   5.215
  462   2HE   MET  60           HE3      MET  60  66.568  -6.727   5.728
  463   3HE   MET  60           HE2      MET  60  66.082  -8.382   6.091
  464    H    ILE  61           HN       ILE  61  62.437  -1.977   6.601
  465    HA   ILE  61           HA       ILE  61  64.464  -0.055   6.214
  466    HB   ILE  61           HB       ILE  61  61.457  -0.005   6.416
  467   1HG1  ILE  61          HG12      ILE  61  63.231   0.690   4.073
  468   2HG1  ILE  61          HG11      ILE  61  62.849  -0.987   4.464
  469   1HG2  ILE  61          HG22      ILE  61  63.257   2.279   6.608
  470   2HG2  ILE  61          HG21      ILE  61  62.233   2.380   5.176
  471   3HG2  ILE  61          HG23      ILE  61  61.502   2.225   6.773
  472   1HD1  ILE  61          HD13      ILE  61  60.417   0.502   4.567
  473   2HD1  ILE  61          HD12      ILE  61  61.234   0.910   3.058
  474   3HD1  ILE  61          HD11      ILE  61  60.864  -0.773   3.433
  475    H    ASP  62           HN       ASP  62  61.951  -0.062   8.786
  476    HA   ASP  62           HA       ASP  62  63.040   2.190  10.207
  477   1HB   ASP  62           HB2      ASP  62  60.764   1.563  10.538
  478   2HB   ASP  62           HB1      ASP  62  61.197  -0.110  10.886
  479    H    GLU  63           HN       GLU  63  64.213  -0.978   9.860
  480    HA   GLU  63           HA       GLU  63  65.499  -1.062  12.536
  481   1HB   GLU  63           HB2      GLU  63  64.706  -2.896  10.413
  482   2HB   GLU  63           HB1      GLU  63  66.358  -3.204  10.949
  483   1HG   GLU  63           HG2      GLU  63  64.235  -2.750  13.017
  484   2HG   GLU  63           HG1      GLU  63  64.317  -4.318  12.215
  485    H    VAL  64           HN       VAL  64  66.378  -0.821   9.086
  486    HA   VAL  64           HA       VAL  64  69.247  -0.697   9.678
  487    HB   VAL  64           HB       VAL  64  68.015  -1.638   7.609
  488   1HG1  VAL  64          HG13      VAL  64  66.690   0.568   7.385
  489   2HG1  VAL  64          HG12      VAL  64  68.162   1.229   6.676
  490   3HG1  VAL  64          HG11      VAL  64  67.347  -0.133   5.907
  491   1HG2  VAL  64          HG22      VAL  64  70.556  -0.837   7.971
  492   2HG2  VAL  64          HG21      VAL  64  69.977  -1.445   6.420
  493   3HG2  VAL  64          HG23      VAL  64  70.096   0.293   6.698
  494    H    ASP  65           HN       ASP  65  66.609   1.567   9.291
  495    HA   ASP  65           HA       ASP  65  67.794   3.946   8.492
  496   1HB   ASP  65           HB2      ASP  65  65.413   3.299   9.392
  497   2HB   ASP  65           HB1      ASP  65  66.054   3.831  10.948
  498    H    GLU  66           HN       GLU  66  69.347   5.315   9.344
  499    HA   GLU  66           HA       GLU  66  70.641   4.490  11.900
  500   1HB   GLU  66           HB2      GLU  66  71.956   4.735   9.802
  501   2HB   GLU  66           HB1      GLU  66  71.470   6.429   9.713
  502   1HG   GLU  66           HG2      GLU  66  72.446   6.584  12.130
  503   2HG   GLU  66           HG1      GLU  66  73.289   5.094  11.704
  504    H    ASP  67           HN       ASP  67  69.794   7.584  10.279
  505    HA   ASP  67           HA       ASP  67  69.926   9.156  12.683
  506   1HB   ASP  67           HB2      ASP  67  68.659  10.785  11.195
  507   2HB   ASP  67           HB1      ASP  67  70.145  10.146  10.491
  508    H    GLY  68           HN       GLY  68  67.479   7.075  11.355
  509   1HA   GLY  68           HA2      GLY  68  65.464   6.364  12.364
  510   2HA   GLY  68           HA1      GLY  68  65.802   7.451  13.712
  511    H    SER  69           HN       SER  69  65.803   8.574  10.389
  512    HA   SER  69           HA       SER  69  63.808  10.609  11.009
  513   1HB   SER  69           HB2      SER  69  64.181  10.667   8.305
  514   2HB   SER  69           HB1      SER  69  65.282  11.418   9.457
  515    HG   SER  69           HG       SER  69  66.168   9.864   7.842
  516    H    GLY  70           HN       GLY  70  63.619   7.353  10.050
  517   1HA   GLY  70           HA2      GLY  70  61.541   6.167   9.799
  518   2HA   GLY  70           HA1      GLY  70  60.748   7.694   9.401
  519    H    THR  71           HN       THR  71  62.660   8.557   7.429
  520    HA   THR  71           HA       THR  71  61.765   6.855   5.175
  521    HB   THR  71           HB       THR  71  62.374   8.775   3.857
  522    HG1  THR  71           HG1      THR  71  63.900  10.106   4.455
  523   1HG2  THR  71          HG23      THR  71  61.267   9.578   6.556
  524   2HG2  THR  71          HG22      THR  71  61.294  10.651   5.159
  525   3HG2  THR  71          HG21      THR  71  60.353   9.162   5.107
  526    H    VAL  72           HN       VAL  72  63.380   6.239   3.492
  527    HA   VAL  72           HA       VAL  72  66.012   5.536   4.730
  528    HB   VAL  72           HB       VAL  72  64.875   4.347   2.203
  529   1HG1  VAL  72          HG11      VAL  72  66.825   3.619   4.348
  530   2HG1  VAL  72          HG13      VAL  72  65.951   2.313   3.548
  531   3HG1  VAL  72          HG12      VAL  72  66.951   3.415   2.602
  532   1HG2  VAL  72          HG22      VAL  72  63.699   4.215   4.896
  533   2HG2  VAL  72          HG21      VAL  72  63.009   3.730   3.348
  534   3HG2  VAL  72          HG23      VAL  72  64.072   2.628   4.223
  535    H    ASP  73           HN       ASP  73  67.660   6.851   4.049
  536    HA   ASP  73           HA       ASP  73  67.394   8.334   1.492
  537   1HB   ASP  73           HB2      ASP  73  69.400   9.515   2.407
  538   2HB   ASP  73           HB1      ASP  73  68.042   9.516   3.533
  539    H    PHE  74           HN       PHE  74  69.719   8.569   0.381
  540    HA   PHE  74           HA       PHE  74  70.365   6.156  -0.917
  541   1HB   PHE  74           HB2      PHE  74  70.938   8.619  -1.433
  542   2HB   PHE  74           HB1      PHE  74  72.323   8.392  -0.365
  543    HD1  PHE  74           HD1      PHE  74  70.603   6.679  -3.227
  544    HD2  PHE  74           HD2      PHE  74  74.320   7.628  -1.295
  545    HE1  PHE  74           HE1      PHE  74  71.842   5.573  -5.068
  546    HE2  PHE  74           HE2      PHE  74  75.560   6.522  -3.137
  547    HZ   PHE  74           HZ       PHE  74  74.320   5.494  -5.022
  548    H    ASP  75           HN       ASP  75  71.534   7.437   2.148
  549    HA   ASP  75           HA       ASP  75  73.816   5.676   2.420
  550   1HB   ASP  75           HB2      ASP  75  72.245   7.622   4.003
  551   2HB   ASP  75           HB1      ASP  75  73.057   6.380   4.957
  552    H    GLU  76           HN       GLU  76  70.817   5.667   4.376
  553    HA   GLU  76           HA       GLU  76  71.079   3.012   5.338
  554   1HB   GLU  76           HB2      GLU  76  68.709   4.831   4.827
  555   2HB   GLU  76           HB1      GLU  76  68.571   3.308   5.706
  556   1HG   GLU  76           HG2      GLU  76  69.814   4.076   7.510
  557   2HG   GLU  76           HG1      GLU  76  70.683   5.264   6.538
  558    H    PHE  77           HN       PHE  77  69.275   4.247   2.507
  559    HA   PHE  77           HA       PHE  77  68.001   1.970   1.574
  560   1HB   PHE  77           HB2      PHE  77  68.125   4.311   0.587
  561   2HB   PHE  77           HB1      PHE  77  69.665   3.844  -0.135
  562    HD1  PHE  77           HD1      PHE  77  66.455   1.966   0.342
  563    HD2  PHE  77           HD2      PHE  77  69.345   3.523  -2.429
  564    HE1  PHE  77           HE1      PHE  77  65.252   0.871  -1.529
  565    HE2  PHE  77           HE2      PHE  77  68.141   2.429  -4.301
  566    HZ   PHE  77           HZ       PHE  77  66.093   1.104  -3.851
  567    H    LEU  78           HN       LEU  78  71.466   2.713   1.418
  568    HA   LEU  78           HA       LEU  78  72.182   0.467  -0.271
  569   1HB   LEU  78           HB2      LEU  78  73.503   2.551   1.405
  570   2HB   LEU  78           HB1      LEU  78  74.461   1.123   1.010
  571    HG   LEU  78           HG       LEU  78  73.062   2.947  -0.966
  572   1HD1  LEU  78          HD13      LEU  78  75.708   2.898   0.222
  573   2HD1  LEU  78          HD12      LEU  78  75.803   2.686  -1.527
  574   3HD1  LEU  78          HD11      LEU  78  74.994   4.101  -0.853
  575   1HD2  LEU  78          HD23      LEU  78  73.932   0.186  -1.155
  576   2HD2  LEU  78          HD22      LEU  78  73.080   1.164  -2.349
  577   3HD2  LEU  78          HD21      LEU  78  74.841   1.202  -2.273
  578    H    VAL  79           HN       VAL  79  72.663   1.060   3.240
  579    HA   VAL  79           HA       VAL  79  73.694  -1.409   4.021
  580    HB   VAL  79           HB       VAL  79  71.563   0.241   5.424
  581   1HG1  VAL  79          HG11      VAL  79  72.042  -1.965   6.462
  582   2HG1  VAL  79          HG13      VAL  79  73.755  -1.548   6.523
  583   3HG1  VAL  79          HG12      VAL  79  72.590  -0.631   7.476
  584   1HG2  VAL  79          HG23      VAL  79  74.159   0.976   4.545
  585   2HG2  VAL  79          HG22      VAL  79  73.099   1.879   5.627
  586   3HG2  VAL  79          HG21      VAL  79  74.268   0.736   6.288
  587    H    MET  80           HN       MET  80  70.241  -0.559   3.605
  588    HA   MET  80           HA       MET  80  69.056  -2.991   4.391
  589   1HB   MET  80           HB2      MET  80  68.416  -0.593   2.936
  590   2HB   MET  80           HB1      MET  80  67.709  -1.975   2.097
  591   1HG   MET  80           HG2      MET  80  67.418  -2.039   5.035
  592   2HG   MET  80           HG1      MET  80  66.549  -0.728   4.237
  593   1HE   MET  80           HE1      MET  80  64.597  -0.767   3.370
  594   2HE   MET  80           HE3      MET  80  64.993  -1.440   1.783
  595   3HE   MET  80           HE2      MET  80  63.631  -2.078   2.700
  596    H    MET  81           HN       MET  81  70.352  -2.069   1.189
  597    HA   MET  81           HA       MET  81  69.688  -4.521  -0.149
  598   1HB   MET  81           HB2      MET  81  71.445  -2.144  -0.534
  599   2HB   MET  81           HB1      MET  81  71.808  -3.564  -1.516
  600   1HG   MET  81           HG2      MET  81  70.234  -2.132  -2.715
  601   2HG   MET  81           HG1      MET  81  69.426  -3.628  -2.245
  602   1HE   MET  81           HE2      MET  81  69.052  -0.592  -3.021
  603   2HE   MET  81           HE1      MET  81  67.326  -0.758  -2.707
  604   3HE   MET  81           HE3      MET  81  68.276   0.448  -1.829
  605    H    VAL  82           HN       VAL  82  72.931  -3.398   0.912
  606    HA   VAL  82           HA       VAL  82  74.366  -5.767   0.572
  607    HB   VAL  82           HB       VAL  82  75.333  -3.618   1.230
  608   1HG1  VAL  82          HG13      VAL  82  73.905  -4.116   3.860
  609   2HG1  VAL  82          HG12      VAL  82  75.051  -2.810   3.563
  610   3HG1  VAL  82          HG11      VAL  82  73.519  -2.853   2.690
  611   1HG2  VAL  82          HG22      VAL  82  76.033  -6.113   2.320
  612   2HG2  VAL  82          HG21      VAL  82  77.062  -4.684   2.212
  613   3HG2  VAL  82          HG23      VAL  82  76.116  -4.981   3.671
  614    H    ARG  83           HN       ARG  83  72.261  -4.869   3.303
  615    HA   ARG  83           HA       ARG  83  72.884  -7.090   4.999
  616   1HB   ARG  83           HB2      ARG  83  70.563  -5.200   4.626
  617   2HB   ARG  83           HB1      ARG  83  70.475  -6.494   5.821
  618   1HG   ARG  83           HG2      ARG  83  72.867  -5.569   6.505
  619   2HG   ARG  83           HG1      ARG  83  72.256  -4.090   5.765
  620   1HD   ARG  83           HD2      ARG  83  71.708  -4.077   8.157
  621   2HD   ARG  83           HD1      ARG  83  70.208  -4.283   7.229
  622    HE   ARG  83           HE       ARG  83  71.124  -6.876   7.623
  623   1HH1  ARG  83          HH21      ARG  83  71.710  -4.693  10.037
  624   2HH1  ARG  83          HH22      ARG  83  70.654  -5.404  11.211
  625   1HH2  ARG  83          HH11      ARG  83  69.180  -7.585   8.953
  626   2HH2  ARG  83          HH12      ARG  83  69.224  -7.043  10.598
  627    H    CYS  84           HN       CYS  84  70.352  -6.645   2.513
  628    HA   CYS  84           HA       CYS  84  69.261  -9.326   2.860
  629   1HB   CYS  84           HB2      CYS  84  68.502  -6.920   1.715
  630   2HB   CYS  84           HB1      CYS  84  68.808  -7.940   0.308
  631    HG   CYS  84           HG       CYS  84  66.613  -8.435   2.441
  632    H    MET  85           HN       MET  85  71.644  -7.800   0.738
  633    HA   MET  85           HA       MET  85  72.439 -10.511  -0.230
  634   1HB   MET  85           HB2      MET  85  72.561  -9.533  -2.533
  635   2HB   MET  85           HB1      MET  85  70.919  -9.535  -1.887
  636   1HG   MET  85           HG2      MET  85  70.824  -7.310  -2.195
  637   2HG   MET  85           HG1      MET  85  72.134  -7.117  -1.032
  638   1HE   MET  85           HE1      MET  85  73.234  -5.461  -1.546
  639   2HE   MET  85           HE3      MET  85  74.384  -5.212  -2.868
  640   3HE   MET  85           HE2      MET  85  72.706  -4.710  -3.051
  641    H    LYS  86           HN       LYS  86  74.522 -10.597   0.573
  642    HA   LYS  86           HA       LYS  86  76.185  -8.204   0.847
  643   1HB   LYS  86           HB2      LYS  86  76.481 -11.177   1.285
  644   2HB   LYS  86           HB1      LYS  86  77.858 -10.090   1.471
  645   1HG   LYS  86           HG2      LYS  86  76.939  -9.018   3.316
  646   2HG   LYS  86           HG1      LYS  86  75.283  -9.401   2.841
  647   1HD   LYS  86           HD2      LYS  86  75.362 -11.113   4.306
  648   2HD   LYS  86           HD1      LYS  86  76.501 -11.894   3.210
  649   1HE   LYS  86           HE2      LYS  86  78.317 -10.463   4.392
  650   2HE   LYS  86           HE1      LYS  86  77.097 -10.236   5.662
  651   1HZ   LYS  86           HZ3      LYS  86  76.788 -12.642   5.729
  652   2HZ   LYS  86           HZ2      LYS  86  78.003 -12.844   4.560
  653   3HZ   LYS  86           HZ1      LYS  86  78.391 -12.226   6.094
  654    H    ASP  87           HN       ASP  87  77.172 -11.271  -0.668
  655    HA   ASP  87           HA       ASP  87  77.828  -9.857  -3.199
  656   1HB   ASP  87           HB2      ASP  87  79.652 -10.125  -1.123
  657   2HB   ASP  87           HB1      ASP  87  80.039 -11.489  -2.172
  658    H    ASP  88           HN       ASP  88  78.920 -12.935  -1.754
  659    HA   ASP  88           HA       ASP  88  78.192 -14.406  -4.178
  660   1HB   ASP  88           HB2      ASP  88  80.205 -14.842  -2.772
  661   2HB   ASP  88           HB1      ASP  88  79.147 -15.328  -1.447
  662    H    SER  89           HN       SER  89  75.843 -13.281  -3.221
  663    HA   SER  89           HA       SER  89  74.448 -15.511  -1.788
  664   1HB   SER  89           HB2      SER  89  73.590 -12.639  -2.244
  665   2HB   SER  89           HB1      SER  89  72.875 -13.790  -1.118
  666    HG   SER  89           HG       SER  89  74.830 -13.793   0.023
   
  No H/Q in entry =         666
  Start of MODEL    5
    1   1H    MET   1           HT3      MET   1  78.381  -0.287  20.137
    2   2H    MET   1           HT2      MET   1  78.352   1.330  20.658
    3   3H    MET   1           HT1      MET   1  76.897   0.503  20.366
    4    HA   MET   1           HA       MET   1  77.062   1.720  18.433
    5   1HB   MET   1           HB2      MET   1  79.847   1.664  19.343
    6   2HB   MET   1           HB1      MET   1  79.709   1.585  17.586
    7   1HG   MET   1           HG2      MET   1  78.681   3.662  17.434
    8   2HG   MET   1           HG1      MET   1  78.029   3.574  19.070
    9   1HE   MET   1           HE2      MET   1  79.293   3.291  20.986
   10   2HE   MET   1           HE1      MET   1  80.870   3.972  21.375
   11   3HE   MET   1           HE3      MET   1  79.466   5.033  21.190
   12    H    ASP   2           HN       ASP   2  77.083   0.930  16.224
   13    HA   ASP   2           HA       ASP   2  77.803  -1.976  15.978
   14   1HB   ASP   2           HB2      ASP   2  75.812  -1.969  14.373
   15   2HB   ASP   2           HB1      ASP   2  75.417  -1.721  16.075
   16    H    ASP   3           HN       ASP   3  78.581  -2.632  13.875
   17    HA   ASP   3           HA       ASP   3  79.093  -0.519  11.857
   18   1HB   ASP   3           HB2      ASP   3  80.903  -0.822  13.787
   19   2HB   ASP   3           HB1      ASP   3  81.407  -2.183  12.787
   20    H    ILE   4           HN       ILE   4  81.293  -2.608  10.980
   21    HA   ILE   4           HA       ILE   4  81.389  -4.479   9.546
   22    HB   ILE   4           HB       ILE   4  78.651  -5.128  10.658
   23   1HG1  ILE   4          HG12      ILE   4  81.345  -5.691  11.937
   24   2HG1  ILE   4          HG11      ILE   4  80.216  -4.455  12.494
   25   1HG2  ILE   4          HG23      ILE   4  80.936  -6.645   9.431
   26   2HG2  ILE   4          HG22      ILE   4  79.851  -7.463  10.556
   27   3HG2  ILE   4          HG21      ILE   4  79.211  -6.751   9.074
   28   1HD1  ILE   4          HD12      ILE   4  78.687  -6.806  12.240
   29   2HD1  ILE   4          HD11      ILE   4  80.193  -7.305  13.011
   30   3HD1  ILE   4          HD13      ILE   4  79.207  -6.037  13.740
   31    H    TYR   5           HN       TYR   5  77.897  -3.674   9.637
   32    HA   TYR   5           HA       TYR   5  77.545  -3.973   6.799
   33   1HB   TYR   5           HB2      TYR   5  76.000  -2.710   9.067
   34   2HB   TYR   5           HB1      TYR   5  75.384  -2.688   7.414
   35    HD1  TYR   5           HD2      TYR   5  75.316  -4.971   6.158
   36    HD2  TYR   5           HD1      TYR   5  75.635  -4.589  10.425
   37    HE1  TYR   5           HE2      TYR   5  74.504  -7.299   6.428
   38    HE2  TYR   5           HE1      TYR   5  74.824  -6.916  10.694
   39    HH   TYR   5           HH       TYR   5  73.492  -8.555   9.421
   40    H    LYS   6           HN       LYS   6  77.869  -1.065   8.868
   41    HA   LYS   6           HA       LYS   6  77.597   0.918   6.876
   42   1HB   LYS   6           HB2      LYS   6  78.358   0.670   9.591
   43   2HB   LYS   6           HB1      LYS   6  79.654   1.570   8.801
   44   1HG   LYS   6           HG2      LYS   6  77.837   3.021   7.754
   45   2HG   LYS   6           HG1      LYS   6  76.708   2.250   8.869
   46   1HD   LYS   6           HD2      LYS   6  77.332   3.725  10.448
   47   2HD   LYS   6           HD1      LYS   6  78.946   3.012  10.420
   48   1HE   LYS   6           HE2      LYS   6  78.181   5.027   8.314
   49   2HE   LYS   6           HE1      LYS   6  78.709   5.574   9.917
   50   1HZ   LYS   6           HZ2      LYS   6  80.562   3.846   9.604
   51   2HZ   LYS   6           HZ1      LYS   6  80.179   3.933   7.951
   52   3HZ   LYS   6           HZ3      LYS   6  80.698   5.323   8.773
   53    H    ALA   7           HN       ALA   7  80.196  -1.333   7.428
   54    HA   ALA   7           HA       ALA   7  82.132   0.222   5.813
   55   1HB   ALA   7           HB1      ALA   7  82.115  -2.336   7.409
   56   2HB   ALA   7           HB3      ALA   7  83.454  -1.978   6.318
   57   3HB   ALA   7           HB2      ALA   7  83.092  -0.890   7.657
   58    H    ALA   8           HN       ALA   8  79.766  -2.276   5.393
   59    HA   ALA   8           HA       ALA   8  80.962  -3.485   3.018
   60   1HB   ALA   8           HB1      ALA   8  79.311  -4.464   4.741
   61   2HB   ALA   8           HB3      ALA   8  78.067  -3.547   3.892
   62   3HB   ALA   8           HB2      ALA   8  78.973  -4.799   3.043
   63    H    VAL   9           HN       VAL   9  78.386  -1.094   3.643
   64    HA   VAL   9           HA       VAL   9  77.376  -0.725   1.054
   65    HB   VAL   9           HB       VAL   9  77.958   1.214   3.310
   66   1HG1  VAL   9          HG12      VAL   9  76.744   1.618   0.624
   67   2HG1  VAL   9          HG11      VAL   9  75.903   2.356   1.987
   68   3HG1  VAL   9          HG13      VAL   9  77.587   2.767   1.661
   69   1HG2  VAL   9          HG22      VAL   9  76.161  -0.902   3.087
   70   2HG2  VAL   9          HG21      VAL   9  76.038   0.438   4.226
   71   3HG2  VAL   9          HG23      VAL   9  75.187   0.512   2.683
   72    H    GLU  10           HN       GLU  10  80.281   0.770   2.508
   73    HA   GLU  10           HA       GLU  10  80.950   2.283   0.113
   74   1HB   GLU  10           HB2      GLU  10  81.695   3.156   2.176
   75   2HB   GLU  10           HB1      GLU  10  82.248   1.581   2.744
   76   1HG   GLU  10           HG2      GLU  10  84.181   2.942   2.140
   77   2HG   GLU  10           HG1      GLU  10  84.021   1.612   0.993
   78    H    GLN  11           HN       GLN  11  81.509  -0.966   1.220
   79    HA   GLN  11           HA       GLN  11  83.905  -1.509  -0.314
   80   1HB   GLN  11           HB2      GLN  11  82.015  -2.840   1.444
   81   2HB   GLN  11           HB1      GLN  11  82.439  -3.880   0.085
   82   1HG   GLN  11           HG2      GLN  11  84.528  -4.213   0.874
   83   2HG   GLN  11           HG1      GLN  11  84.768  -2.489   1.158
   84   1HE2  GLN  11          HE22      GLN  11  84.398  -2.869   4.628
   85   2HE2  GLN  11          HE21      GLN  11  85.063  -2.001   3.329
   86    H    LEU  12           HN       LEU  12  80.489  -1.414  -1.069
   87    HA   LEU  12           HA       LEU  12  80.259  -3.112  -3.285
   88   1HB   LEU  12           HB2      LEU  12  79.153  -0.342  -2.735
   89   2HB   LEU  12           HB1      LEU  12  78.561  -1.382  -4.031
   90    HG   LEU  12           HG       LEU  12  78.579  -2.069  -1.077
   91   1HD1  LEU  12          HD12      LEU  12  76.648  -0.769  -2.856
   92   2HD1  LEU  12          HD11      LEU  12  75.983  -2.189  -2.048
   93   3HD1  LEU  12          HD13      LEU  12  76.660  -0.868  -1.095
   94   1HD2  LEU  12          HD23      LEU  12  78.079  -3.628  -3.571
   95   2HD2  LEU  12          HD22      LEU  12  78.718  -4.168  -2.018
   96   3HD2  LEU  12          HD21      LEU  12  76.984  -3.914  -2.218
   97    H    THR  13           HN       THR  13  79.988  -2.063  -5.649
   98    HA   THR  13           HA       THR  13  82.661  -0.975  -6.339
   99    HB   THR  13           HB       THR  13  81.253  -1.402  -8.673
  100    HG1  THR  13           HG1      THR  13  79.907  -3.074  -8.360
  101   1HG2  THR  13          HG21      THR  13  82.905  -3.253  -6.950
  102   2HG2  THR  13          HG23      THR  13  82.361  -3.708  -8.565
  103   3HG2  THR  13          HG22      THR  13  83.426  -2.318  -8.351
  104    H    GLU  14           HN       GLU  14  82.919   1.012  -7.446
  105    HA   GLU  14           HA       GLU  14  81.159   3.159  -6.850
  106   1HB   GLU  14           HB2      GLU  14  83.614   2.623  -8.272
  107   2HB   GLU  14           HB1      GLU  14  82.626   3.751  -9.204
  108   1HG   GLU  14           HG2      GLU  14  83.683   5.257  -7.813
  109   2HG   GLU  14           HG1      GLU  14  82.297   4.862  -6.795
  110    H    GLU  15           HN       GLU  15  81.718   1.684 -10.075
  111    HA   GLU  15           HA       GLU  15  79.781   2.911 -11.598
  112   1HB   GLU  15           HB2      GLU  15  79.739   0.811 -12.875
  113   2HB   GLU  15           HB1      GLU  15  81.376   1.126 -12.298
  114   1HG   GLU  15           HG2      GLU  15  80.707  -0.311 -10.246
  115   2HG   GLU  15           HG1      GLU  15  79.370  -0.867 -11.254
  116    H    GLN  16           HN       GLN  16  79.237   0.346  -9.192
  117    HA   GLN  16           HA       GLN  16  76.426  -0.011  -9.767
  118   1HB   GLN  16           HB2      GLN  16  77.924  -1.626  -8.595
  119   2HB   GLN  16           HB1      GLN  16  78.029  -0.508  -7.236
  120   1HG   GLN  16           HG2      GLN  16  75.906  -0.970  -6.515
  121   2HG   GLN  16           HG1      GLN  16  75.288  -1.186  -8.153
  122   1HE2  GLN  16          HE22      GLN  16  77.255  -4.400  -6.481
  123   2HE2  GLN  16          HE21      GLN  16  77.800  -2.831  -6.131
  124    H    LYS  17           HN       LYS  17  77.933   1.444  -6.852
  125    HA   LYS  17           HA       LYS  17  75.732   2.687  -5.721
  126   1HB   LYS  17           HB2      LYS  17  78.651   3.261  -5.948
  127   2HB   LYS  17           HB1      LYS  17  77.638   4.552  -5.299
  128   1HG   LYS  17           HG2      LYS  17  77.274   3.441  -3.357
  129   2HG   LYS  17           HG1      LYS  17  77.005   1.909  -4.187
  130   1HD   LYS  17           HD2      LYS  17  79.013   1.771  -2.776
  131   2HD   LYS  17           HD1      LYS  17  79.451   1.648  -4.480
  132   1HE   LYS  17           HE2      LYS  17  80.736   3.508  -4.342
  133   2HE   LYS  17           HE1      LYS  17  79.406   4.430  -3.614
  134   1HZ   LYS  17           HZ2      LYS  17  79.867   3.134  -1.528
  135   2HZ   LYS  17           HZ1      LYS  17  81.311   2.609  -2.253
  136   3HZ   LYS  17           HZ3      LYS  17  81.064   4.260  -1.956
  137    H    ASN  18           HN       ASN  18  77.675   3.869  -8.462
  138    HA   ASN  18           HA       ASN  18  76.369   6.407  -8.766
  139   1HB   ASN  18           HB2      ASN  18  78.173   4.596 -10.257
  140   2HB   ASN  18           HB1      ASN  18  77.240   5.703 -11.265
  141   1HD2  ASN  18          HD22      ASN  18  80.444   7.328  -9.970
  142   2HD2  ASN  18          HD21      ASN  18  80.170   5.818 -10.695
  143    H    GLU  19           HN       GLU  19  75.803   3.235 -10.324
  144    HA   GLU  19           HA       GLU  19  73.605   4.100 -11.965
  145   1HB   GLU  19           HB2      GLU  19  75.175   1.929 -11.828
  146   2HB   GLU  19           HB1      GLU  19  73.799   1.309 -10.915
  147   1HG   GLU  19           HG2      GLU  19  73.574   2.588 -13.653
  148   2HG   GLU  19           HG1      GLU  19  73.652   0.848 -13.380
  149    H    PHE  20           HN       PHE  20  73.863   3.069  -8.616
  150    HA   PHE  20           HA       PHE  20  71.048   2.527  -8.194
  151   1HB   PHE  20           HB2      PHE  20  73.495   3.041  -6.517
  152   2HB   PHE  20           HB1      PHE  20  71.913   2.938  -5.748
  153    HD1  PHE  20           HD2      PHE  20  72.546   1.055  -8.822
  154    HD2  PHE  20           HD1      PHE  20  72.591   0.887  -4.529
  155    HE1  PHE  20           HE2      PHE  20  72.659  -1.418  -8.921
  156    HE2  PHE  20           HE1      PHE  20  72.703  -1.588  -4.628
  157    HZ   PHE  20           HZ       PHE  20  72.737  -2.741  -6.823
  158    H    LYS  21           HN       LYS  21  73.083   5.409  -8.015
  159    HA   LYS  21           HA       LYS  21  71.405   7.141  -6.532
  160   1HB   LYS  21           HB2      LYS  21  73.805   7.373  -7.545
  161   2HB   LYS  21           HB1      LYS  21  72.967   7.997  -8.965
  162   1HG   LYS  21           HG2      LYS  21  71.796   9.287  -6.740
  163   2HG   LYS  21           HG1      LYS  21  73.539   9.339  -6.475
  164   1HD   LYS  21           HD2      LYS  21  73.938  10.555  -8.424
  165   2HD   LYS  21           HD1      LYS  21  72.450  10.002  -9.192
  166   1HE   LYS  21           HE2      LYS  21  72.174  12.346  -8.544
  167   2HE   LYS  21           HE1      LYS  21  71.158  11.350  -7.483
  168   1HZ   LYS  21           HZ2      LYS  21  73.962  11.878  -6.757
  169   2HZ   LYS  21           HZ1      LYS  21  72.782  13.055  -6.432
  170   3HZ   LYS  21           HZ3      LYS  21  72.645  11.508  -5.748
  171    H    ALA  22           HN       ALA  22  71.448   6.486 -10.049
  172    HA   ALA  22           HA       ALA  22  69.354   8.294 -10.770
  173   1HB   ALA  22           HB2      ALA  22  71.059   6.362 -11.943
  174   2HB   ALA  22           HB1      ALA  22  69.416   5.896 -12.383
  175   3HB   ALA  22           HB3      ALA  22  70.013   7.507 -12.782
  176    H    ALA  23           HN       ALA  23  69.281   4.865  -9.790
  177    HA   ALA  23           HA       ALA  23  66.428   4.538 -10.189
  178   1HB   ALA  23           HB2      ALA  23  68.694   3.073  -8.875
  179   2HB   ALA  23           HB1      ALA  23  67.043   2.545  -8.549
  180   3HB   ALA  23           HB3      ALA  23  67.656   2.555 -10.203
  181    H    PHE  24           HN       PHE  24  68.457   5.610  -7.512
  182    HA   PHE  24           HA       PHE  24  66.592   5.344  -5.371
  183   1HB   PHE  24           HB2      PHE  24  68.924   5.784  -4.985
  184   2HB   PHE  24           HB1      PHE  24  68.874   7.244  -5.972
  185    HD1  PHE  24           HD1      PHE  24  67.464   9.209  -5.193
  186    HD2  PHE  24           HD2      PHE  24  68.356   5.842  -2.679
  187    HE1  PHE  24           HE1      PHE  24  66.865  10.544  -3.190
  188    HE2  PHE  24           HE2      PHE  24  67.757   7.177  -0.677
  189    HZ   PHE  24           HZ       PHE  24  67.010   9.528  -0.933
  190    H    ASP  25           HN       ASP  25  67.084   7.950  -7.748
  191    HA   ASP  25           HA       ASP  25  65.214   9.800  -6.543
  192   1HB   ASP  25           HB2      ASP  25  66.821   9.483  -9.010
  193   2HB   ASP  25           HB1      ASP  25  65.380  10.485  -9.184
  194    H    ILE  26           HN       ILE  26  64.870   7.043  -8.667
  195    HA   ILE  26           HA       ILE  26  62.262   7.774  -9.732
  196    HB   ILE  26           HB       ILE  26  63.758   5.146  -9.535
  197   1HG1  ILE  26          HG12      ILE  26  63.775   7.456 -11.471
  198   2HG1  ILE  26          HG11      ILE  26  65.142   6.589 -10.776
  199   1HG2  ILE  26          HG21      ILE  26  61.288   4.974  -9.982
  200   2HG2  ILE  26          HG23      ILE  26  61.526   5.975 -11.413
  201   3HG2  ILE  26          HG22      ILE  26  62.288   4.389 -11.312
  202   1HD1  ILE  26          HD11      ILE  26  64.253   4.539 -12.076
  203   2HD1  ILE  26          HD13      ILE  26  63.284   5.704 -12.979
  204   3HD1  ILE  26          HD12      ILE  26  65.044   5.812 -13.006
  205    H    PHE  27           HN       PHE  27  63.371   6.369  -6.759
  206    HA   PHE  27           HA       PHE  27  60.777   5.065  -6.184
  207   1HB   PHE  27           HB2      PHE  27  63.313   5.417  -4.555
  208   2HB   PHE  27           HB1      PHE  27  61.985   4.321  -4.174
  209    HD1  PHE  27           HD2      PHE  27  61.280   3.188  -6.778
  210    HD2  PHE  27           HD1      PHE  27  65.149   4.073  -5.133
  211    HE1  PHE  27           HE2      PHE  27  62.295   1.450  -8.231
  212    HE2  PHE  27           HE1      PHE  27  66.164   2.338  -6.586
  213    HZ   PHE  27           HZ       PHE  27  64.738   1.029  -8.135
  214    H    VAL  28           HN       VAL  28  62.394   8.083  -5.607
  215    HA   VAL  28           HA       VAL  28  60.651   8.767  -3.309
  216    HB   VAL  28           HB       VAL  28  62.115  10.818  -3.355
  217   1HG1  VAL  28          HG11      VAL  28  62.639   8.384  -2.349
  218   2HG1  VAL  28          HG13      VAL  28  63.981   8.501  -3.488
  219   3HG1  VAL  28          HG12      VAL  28  63.787   9.716  -2.225
  220   1HG2  VAL  28          HG21      VAL  28  62.489  10.424  -5.927
  221   2HG2  VAL  28          HG23      VAL  28  63.801  11.090  -4.952
  222   3HG2  VAL  28          HG22      VAL  28  63.802   9.378  -5.381
  223    H    LEU  29           HN       LEU  29  60.001   8.612  -6.448
  224    HA   LEU  29           HA       LEU  29  59.311  11.136  -7.445
  225   1HB   LEU  29           HB2      LEU  29  58.868   8.457  -8.051
  226   2HB   LEU  29           HB1      LEU  29  57.239   9.102  -7.836
  227    HG   LEU  29           HG       LEU  29  57.895  11.008  -9.368
  228   1HD1  LEU  29          HD11      LEU  29  60.413   9.449  -9.295
  229   2HD1  LEU  29          HD13      LEU  29  59.910  10.000 -10.895
  230   3HD1  LEU  29          HD12      LEU  29  60.160  11.168  -9.597
  231   1HD2  LEU  29          HD22      LEU  29  56.923   8.514  -9.949
  232   2HD2  LEU  29          HD21      LEU  29  57.065   9.819 -11.126
  233   3HD2  LEU  29          HD23      LEU  29  58.326   8.592 -11.015
  234    H    GLY  30           HN       GLY  30  58.368  12.681  -6.124
  235   1HA   GLY  30           HA2      GLY  30  56.117  13.520  -5.463
  236   2HA   GLY  30           HA1      GLY  30  55.798  11.917  -4.797
  237    H    ALA  31           HN       ALA  31  58.495  11.666  -3.638
  238    HA   ALA  31           HA       ALA  31  58.102  12.503  -1.013
  239   1HB   ALA  31           HB1      ALA  31  60.047  11.234  -2.472
  240   2HB   ALA  31           HB3      ALA  31  60.877  12.719  -2.008
  241   3HB   ALA  31           HB2      ALA  31  60.210  11.658  -0.768
  242    H    GLU  32           HN       GLU  32  59.075  14.317   0.206
  243    HA   GLU  32           HA       GLU  32  58.887  16.861  -1.296
  244   1HB   GLU  32           HB2      GLU  32  59.209  16.176   1.646
  245   2HB   GLU  32           HB1      GLU  32  58.898  17.794   1.014
  246   1HG   GLU  32           HG2      GLU  32  56.922  16.314  -0.203
  247   2HG   GLU  32           HG1      GLU  32  57.044  15.540   1.378
  248    H    ASP  33           HN       ASP  33  61.209  15.240   0.901
  249    HA   ASP  33           HA       ASP  33  63.319  17.180   0.155
  250   1HB   ASP  33           HB2      ASP  33  64.556  15.967   1.936
  251   2HB   ASP  33           HB1      ASP  33  62.965  16.485   2.494
  252    H    GLY  34           HN       GLY  34  62.187  14.107  -0.860
  253   1HA   GLY  34           HA2      GLY  34  63.078  13.051  -2.859
  254   2HA   GLY  34           HA1      GLY  34  64.652  13.756  -2.490
  255    H    CYS  35           HN       CYS  35  62.553  12.058  -0.203
  256    HA   CYS  35           HA       CYS  35  64.758  10.079   0.213
  257   1HB   CYS  35           HB2      CYS  35  62.871  11.577   1.868
  258   2HB   CYS  35           HB1      CYS  35  62.860   9.855   2.253
  259    HG   CYS  35           HG       CYS  35  65.268  11.763   2.631
  260    H    ILE  36           HN       ILE  36  64.142   7.811   0.484
  261    HA   ILE  36           HA       ILE  36  61.773   7.087  -1.169
  262    HB   ILE  36           HB       ILE  36  63.683   5.049  -0.114
  263   1HG1  ILE  36          HG12      ILE  36  64.460   7.227  -2.079
  264   2HG1  ILE  36          HG11      ILE  36  65.288   6.790  -0.584
  265   1HG2  ILE  36          HG21      ILE  36  62.474   5.671  -2.823
  266   2HG2  ILE  36          HG23      ILE  36  63.500   4.277  -2.480
  267   3HG2  ILE  36          HG22      ILE  36  61.928   4.430  -1.693
  268   1HD1  ILE  36          HD13      ILE  36  65.065   4.430  -2.174
  269   2HD1  ILE  36          HD12      ILE  36  65.692   5.716  -3.205
  270   3HD1  ILE  36          HD11      ILE  36  66.531   5.295  -1.713
  271    H    SER  37           HN       SER  37  60.375   7.745   0.751
  272    HA   SER  37           HA       SER  37  60.350   6.596   3.292
  273   1HB   SER  37           HB2      SER  37  58.018   7.132   1.427
  274   2HB   SER  37           HB1      SER  37  57.918   7.024   3.182
  275    HG   SER  37           HG       SER  37  59.131   8.857   3.354
  276    H    THR  38           HN       THR  38  59.146   4.740   4.153
  277    HA   THR  38           HA       THR  38  59.609   2.282   2.780
  278    HB   THR  38           HB       THR  38  59.288   2.799   5.272
  279    HG1  THR  38           HG1      THR  38  57.640   0.687   4.419
  280   1HG2  THR  38          HG23      THR  38  56.395   2.610   4.400
  281   2HG2  THR  38          HG22      THR  38  56.946   2.601   6.075
  282   3HG2  THR  38          HG21      THR  38  57.188   4.033   5.074
  283    H    LYS  39           HN       LYS  39  56.732   4.348   3.018
  284    HA   LYS  39           HA       LYS  39  54.755   2.667   1.943
  285   1HB   LYS  39           HB2      LYS  39  54.954   5.252   2.722
  286   2HB   LYS  39           HB1      LYS  39  54.907   5.478   0.973
  287   1HG   LYS  39           HG2      LYS  39  52.836   4.154   0.843
  288   2HG   LYS  39           HG1      LYS  39  52.883   3.901   2.589
  289   1HD   LYS  39           HD2      LYS  39  52.756   6.358   2.930
  290   2HD   LYS  39           HD1      LYS  39  52.641   6.578   1.183
  291   1HE   LYS  39           HE2      LYS  39  50.696   4.615   2.084
  292   2HE   LYS  39           HE1      LYS  39  50.489   6.157   2.941
  293   1HZ   LYS  39           HZ2      LYS  39  51.004   6.095   0.035
  294   2HZ   LYS  39           HZ1      LYS  39  49.424   5.914   0.632
  295   3HZ   LYS  39           HZ3      LYS  39  50.297   7.330   0.964
  296    H    GLU  40           HN       GLU  40  57.327   4.457   0.279
  297    HA   GLU  40           HA       GLU  40  56.411   3.314  -2.331
  298   1HB   GLU  40           HB2      GLU  40  57.316   5.853  -1.436
  299   2HB   GLU  40           HB1      GLU  40  58.571   5.216  -2.499
  300   1HG   GLU  40           HG2      GLU  40  55.801   4.828  -3.460
  301   2HG   GLU  40           HG1      GLU  40  56.343   6.506  -3.396
  302    H    LEU  41           HN       LEU  41  57.665   1.473  -0.645
  303    HA   LEU  41           HA       LEU  41  60.411   1.248  -1.836
  304   1HB   LEU  41           HB2      LEU  41  59.629   1.468   0.823
  305   2HB   LEU  41           HB1      LEU  41  59.872  -0.267   0.613
  306    HG   LEU  41           HG       LEU  41  61.866   1.930  -0.005
  307   1HD1  LEU  41          HD11      LEU  41  61.423   0.029   2.218
  308   2HD1  LEU  41          HD13      LEU  41  63.086   0.123   1.638
  309   3HD1  LEU  41          HD12      LEU  41  62.268   1.577   2.211
  310   1HD2  LEU  41          HD22      LEU  41  61.904  -1.047  -0.558
  311   2HD2  LEU  41          HD21      LEU  41  62.105   0.265  -1.718
  312   3HD2  LEU  41          HD23      LEU  41  63.366  -0.062  -0.529
  313    H    GLY  42           HN       GLY  42  57.510  -0.528  -0.768
  314   1HA   GLY  42           HA2      GLY  42  58.212  -3.150  -1.385
  315   2HA   GLY  42           HA1      GLY  42  56.588  -2.512  -1.648
  316    H    LYS  43           HN       LYS  43  56.620  -0.925  -3.709
  317    HA   LYS  43           HA       LYS  43  56.923  -2.503  -6.024
  318   1HB   LYS  43           HB2      LYS  43  56.892   0.474  -5.487
  319   2HB   LYS  43           HB1      LYS  43  56.918  -0.169  -7.129
  320   1HG   LYS  43           HG2      LYS  43  54.888  -1.554  -6.513
  321   2HG   LYS  43           HG1      LYS  43  54.810  -0.638  -5.008
  322   1HD   LYS  43           HD2      LYS  43  54.610   0.470  -7.821
  323   2HD   LYS  43           HD1      LYS  43  53.331   0.422  -6.608
  324   1HE   LYS  43           HE2      LYS  43  54.815   1.868  -5.132
  325   2HE   LYS  43           HE1      LYS  43  55.868   2.082  -6.544
  326   1HZ   LYS  43           HZ1      LYS  43  52.976   2.439  -6.874
  327   2HZ   LYS  43           HZ3      LYS  43  53.856   3.688  -6.139
  328   3HZ   LYS  43           HZ2      LYS  43  54.257   3.180  -7.710
  329    H    VAL  44           HN       VAL  44  59.166  -0.053  -4.693
  330    HA   VAL  44           HA       VAL  44  61.181  -0.061  -6.628
  331    HB   VAL  44           HB       VAL  44  61.438  -0.074  -3.602
  332   1HG1  VAL  44          HG11      VAL  44  63.311   0.467  -5.841
  333   2HG1  VAL  44          HG13      VAL  44  63.346   1.622  -4.509
  334   3HG1  VAL  44          HG12      VAL  44  63.648  -0.088  -4.201
  335   1HG2  VAL  44          HG23      VAL  44  60.526   1.938  -5.609
  336   2HG2  VAL  44          HG22      VAL  44  60.007   1.703  -3.940
  337   3HG2  VAL  44          HG21      VAL  44  61.532   2.519  -4.284
  338    H    MET  45           HN       MET  45  60.741  -2.378  -3.943
  339    HA   MET  45           HA       MET  45  63.087  -3.950  -4.555
  340   1HB   MET  45           HB2      MET  45  60.586  -4.208  -2.911
  341   2HB   MET  45           HB1      MET  45  61.624  -5.617  -3.123
  342   1HG   MET  45           HG2      MET  45  62.742  -2.953  -2.252
  343   2HG   MET  45           HG1      MET  45  62.101  -4.111  -1.086
  344   1HE   MET  45           HE3      MET  45  64.611  -3.636  -0.172
  345   2HE   MET  45           HE2      MET  45  66.075  -4.177  -0.990
  346   3HE   MET  45           HE1      MET  45  65.155  -2.826  -1.647
  347    H    ARG  46           HN       ARG  46  59.862  -3.832  -5.864
  348    HA   ARG  46           HA       ARG  46  59.901  -6.532  -6.993
  349   1HB   ARG  46           HB2      ARG  46  58.176  -4.115  -7.628
  350   2HB   ARG  46           HB1      ARG  46  57.783  -5.802  -7.964
  351   1HG   ARG  46           HG2      ARG  46  58.454  -5.106  -5.144
  352   2HG   ARG  46           HG1      ARG  46  56.898  -4.551  -5.760
  353   1HD   ARG  46           HD2      ARG  46  57.818  -7.422  -6.080
  354   2HD   ARG  46           HD1      ARG  46  56.876  -6.872  -4.680
  355    HE   ARG  46           HE       ARG  46  55.516  -5.860  -6.900
  356   1HH1  ARG  46          HH21      ARG  46  54.746  -8.121  -4.856
  357   2HH1  ARG  46          HH22      ARG  46  54.228  -9.344  -5.968
  358   1HH2  ARG  46          HH11      ARG  46  55.619  -7.792  -8.739
  359   2HH2  ARG  46          HH12      ARG  46  54.721  -9.157  -8.165
  360    H    MET  47           HN       MET  47  60.265  -3.214  -8.296
  361    HA   MET  47           HA       MET  47  60.768  -4.055 -11.011
  362   1HB   MET  47           HB2      MET  47  61.257  -1.726 -11.333
  363   2HB   MET  47           HB1      MET  47  59.999  -1.794 -10.098
  364   1HG   MET  47           HG2      MET  47  61.459  -0.388  -9.013
  365   2HG   MET  47           HG1      MET  47  62.143  -1.927  -8.492
  366   1HE   MET  47           HE2      MET  47  62.498   1.289 -10.336
  367   2HE   MET  47           HE1      MET  47  63.734   1.049 -11.568
  368   3HE   MET  47           HE3      MET  47  62.143   0.299 -11.750
  369    H    LEU  48           HN       LEU  48  62.803  -3.635  -8.170
  370    HA   LEU  48           HA       LEU  48  65.342  -3.614  -9.580
  371   1HB   LEU  48           HB2      LEU  48  64.412  -4.119  -6.746
  372   2HB   LEU  48           HB1      LEU  48  66.117  -4.188  -7.189
  373    HG   LEU  48           HG       LEU  48  64.427  -1.804  -7.922
  374   1HD1  LEU  48          HD12      LEU  48  64.386  -2.369  -5.400
  375   2HD1  LEU  48          HD11      LEU  48  66.102  -1.962  -5.415
  376   3HD1  LEU  48          HD13      LEU  48  64.904  -0.746  -5.858
  377   1HD2  LEU  48          HD22      LEU  48  67.378  -2.368  -7.540
  378   2HD2  LEU  48          HD21      LEU  48  66.554  -1.897  -9.027
  379   3HD2  LEU  48          HD23      LEU  48  66.734  -0.735  -7.713
  380    H    GLY  49           HN       GLY  49  63.165  -6.105  -8.409
  381   1HA   GLY  49           HA2      GLY  49  63.445  -8.306  -9.640
  382   2HA   GLY  49           HA1      GLY  49  65.160  -8.174  -9.243
  383    H    GLN  50           HN       GLN  50  63.384  -6.932  -6.696
  384    HA   GLN  50           HA       GLN  50  63.693  -9.491  -5.180
  385   1HB   GLN  50           HB2      GLN  50  63.362  -6.647  -4.178
  386   2HB   GLN  50           HB1      GLN  50  63.924  -8.040  -3.254
  387   1HG   GLN  50           HG2      GLN  50  65.541  -7.765  -5.617
  388   2HG   GLN  50           HG1      GLN  50  65.494  -6.222  -4.764
  389   1HE2  GLN  50          HE22      GLN  50  68.237  -7.998  -3.111
  390   2HE2  GLN  50          HE21      GLN  50  67.940  -7.166  -4.561
  391    H    ASN  51           HN       ASN  51  61.981  -9.879  -3.491
  392    HA   ASN  51           HA       ASN  51  59.347  -8.621  -4.095
  393   1HB   ASN  51           HB2      ASN  51  58.342 -10.842  -4.360
  394   2HB   ASN  51           HB1      ASN  51  59.668 -10.656  -5.506
  395   1HD2  ASN  51          HD22      ASN  51  59.880 -13.892  -3.416
  396   2HD2  ASN  51          HD21      ASN  51  58.524 -13.150  -4.119
  397    HA   PRO  52           HA       PRO  52  60.269  -9.475   0.408
  398   1HB   PRO  52           HB2      PRO  52  60.051  -6.881   1.256
  399   2HB   PRO  52           HB1      PRO  52  61.578  -7.589   0.691
  400   1HG   PRO  52           HG2      PRO  52  59.670  -5.813  -0.744
  401   2HG   PRO  52           HG1      PRO  52  61.440  -5.833  -0.779
  402   1HD   PRO  52           HD2      PRO  52  59.882  -6.898  -2.748
  403   2HD   PRO  52           HD1      PRO  52  61.521  -7.470  -2.372
  404    H    THR  53           HN       THR  53  58.764  -8.166   2.257
  405    HA   THR  53           HA       THR  53  55.959  -8.289   1.195
  406    HB   THR  53           HB       THR  53  55.385  -9.467   3.235
  407    HG1  THR  53           HG1      THR  53  57.983  -9.561   4.168
  408   1HG2  THR  53          HG21      THR  53  56.413 -10.827   1.454
  409   2HG2  THR  53          HG23      THR  53  58.008 -10.519   2.142
  410   3HG2  THR  53          HG22      THR  53  56.823 -11.459   3.050
  411    HA   PRO  54           HA       PRO  54  55.258  -4.405   3.113
  412   1HB   PRO  54           HB2      PRO  54  52.784  -4.707   4.254
  413   2HB   PRO  54           HB1      PRO  54  53.034  -4.556   2.502
  414   1HG   PRO  54           HG2      PRO  54  52.572  -6.998   4.144
  415   2HG   PRO  54           HG1      PRO  54  51.937  -6.577   2.545
  416   1HD   PRO  54           HD2      PRO  54  54.003  -8.297   2.905
  417   2HD   PRO  54           HD1      PRO  54  53.833  -7.280   1.458
  418    H    GLU  55           HN       GLU  55  54.628  -7.211   5.211
  419    HA   GLU  55           HA       GLU  55  54.753  -5.797   7.717
  420   1HB   GLU  55           HB2      GLU  55  54.607  -8.515   6.669
  421   2HB   GLU  55           HB1      GLU  55  55.629  -8.431   8.104
  422   1HG   GLU  55           HG2      GLU  55  52.776  -7.431   7.866
  423   2HG   GLU  55           HG1      GLU  55  53.324  -8.829   8.793
  424    H    GLU  56           HN       GLU  56  57.196  -7.106   5.548
  425    HA   GLU  56           HA       GLU  56  59.369  -6.827   7.525
  426   1HB   GLU  56           HB2      GLU  56  58.839  -8.118   4.993
  427   2HB   GLU  56           HB1      GLU  56  60.347  -7.210   4.897
  428   1HG   GLU  56           HG2      GLU  56  61.219  -8.340   6.859
  429   2HG   GLU  56           HG1      GLU  56  59.674  -9.151   7.126
  430    H    LEU  57           HN       LEU  57  58.298  -5.222   4.523
  431    HA   LEU  57           HA       LEU  57  60.280  -3.409   3.967
  432   1HB   LEU  57           HB2      LEU  57  57.717  -3.753   3.240
  433   2HB   LEU  57           HB1      LEU  57  57.516  -2.317   4.245
  434    HG   LEU  57           HG       LEU  57  59.502  -1.337   2.916
  435   1HD1  LEU  57          HD12      LEU  57  59.322  -3.942   1.754
  436   2HD1  LEU  57          HD11      LEU  57  58.885  -2.766   0.514
  437   3HD1  LEU  57          HD13      LEU  57  60.439  -2.642   1.339
  438   1HD2  LEU  57          HD23      LEU  57  56.970  -0.842   2.684
  439   2HD2  LEU  57          HD22      LEU  57  58.011  -0.395   1.332
  440   3HD2  LEU  57          HD21      LEU  57  57.040  -1.864   1.248
  441    H    GLN  58           HN       GLN  58  57.772  -2.859   6.480
  442    HA   GLN  58           HA       GLN  58  58.914  -0.402   7.450
  443   1HB   GLN  58           HB2      GLN  58  56.576  -1.674   7.730
  444   2HB   GLN  58           HB1      GLN  58  57.347  -2.242   9.212
  445   1HG   GLN  58           HG2      GLN  58  56.835   0.621   8.374
  446   2HG   GLN  58           HG1      GLN  58  56.201  -0.220   9.789
  447   1HE2  GLN  58          HE22      GLN  58  59.977   1.335   9.886
  448   2HE2  GLN  58          HE21      GLN  58  59.100   1.307   8.432
  449    H    GLU  59           HN       GLU  59  58.780  -3.547   9.166
  450    HA   GLU  59           HA       GLU  59  60.569  -3.099  11.218
  451   1HB   GLU  59           HB2      GLU  59  59.236  -5.209  10.295
  452   2HB   GLU  59           HB1      GLU  59  60.816  -5.630   9.632
  453   1HG   GLU  59           HG2      GLU  59  61.791  -5.318  11.925
  454   2HG   GLU  59           HG1      GLU  59  60.155  -5.092  12.540
  455    H    MET  60           HN       MET  60  61.529  -4.330   7.985
  456    HA   MET  60           HA       MET  60  64.283  -4.470   8.252
  457   1HB   MET  60           HB2      MET  60  62.307  -4.073   6.159
  458   2HB   MET  60           HB1      MET  60  63.814  -3.245   5.764
  459   1HG   MET  60           HG2      MET  60  64.948  -5.474   6.513
  460   2HG   MET  60           HG1      MET  60  63.349  -6.175   6.265
  461   1HE   MET  60           HE3      MET  60  66.453  -5.718   5.235
  462   2HE   MET  60           HE2      MET  60  66.058  -7.062   4.167
  463   3HE   MET  60           HE1      MET  60  66.593  -5.531   3.481
  464    H    ILE  61           HN       ILE  61  62.831  -1.572   6.747
  465    HA   ILE  61           HA       ILE  61  64.981   0.171   6.951
  466    HB   ILE  61           HB       ILE  61  62.004   0.625   7.296
  467   1HG1  ILE  61          HG12      ILE  61  63.527   1.407   4.860
  468   2HG1  ILE  61          HG11      ILE  61  63.318  -0.322   5.135
  469   1HG2  ILE  61          HG23      ILE  61  64.302   2.559   7.047
  470   2HG2  ILE  61          HG22      ILE  61  62.703   2.982   6.435
  471   3HG2  ILE  61          HG21      ILE  61  62.924   2.618   8.146
  472   1HD1  ILE  61          HD13      ILE  61  60.807   0.729   5.696
  473   2HD1  ILE  61          HD12      ILE  61  61.350   1.673   4.307
  474   3HD1  ILE  61          HD11      ILE  61  61.274  -0.087   4.204
  475    H    ASP  62           HN       ASP  62  62.566  -0.529   9.487
  476    HA   ASP  62           HA       ASP  62  63.496   1.380  11.404
  477   1HB   ASP  62           HB2      ASP  62  61.419  -0.349  11.142
  478   2HB   ASP  62           HB1      ASP  62  62.396  -1.218  12.327
  479    H    GLU  63           HN       GLU  63  65.040  -1.413  10.215
  480    HA   GLU  63           HA       GLU  63  66.621  -1.751  12.734
  481   1HB   GLU  63           HB2      GLU  63  66.258  -3.497  10.278
  482   2HB   GLU  63           HB1      GLU  63  67.220  -3.932  11.692
  483   1HG   GLU  63           HG2      GLU  63  64.325  -3.137  11.978
  484   2HG   GLU  63           HG1      GLU  63  64.776  -4.796  11.581
  485    H    VAL  64           HN       VAL  64  66.794  -0.582   9.477
  486    HA   VAL  64           HA       VAL  64  69.789  -0.557   9.616
  487    HB   VAL  64           HB       VAL  64  68.620  -1.758   7.737
  488   1HG1  VAL  64          HG11      VAL  64  67.069   0.614   7.734
  489   2HG1  VAL  64          HG13      VAL  64  67.959   0.597   6.212
  490   3HG1  VAL  64          HG12      VAL  64  66.922  -0.763   6.643
  491   1HG2  VAL  64          HG22      VAL  64  70.559   0.471   7.440
  492   2HG2  VAL  64          HG21      VAL  64  70.718  -1.226   6.988
  493   3HG2  VAL  64          HG23      VAL  64  69.830  -0.114   5.946
  494    H    ASP  65           HN       ASP  65  66.959   1.430   9.665
  495    HA   ASP  65           HA       ASP  65  67.742   3.856   8.520
  496   1HB   ASP  65           HB2      ASP  65  65.725   2.908  10.141
  497   2HB   ASP  65           HB1      ASP  65  66.524   4.073  11.196
  498    H    GLU  66           HN       GLU  66  69.039   5.605   9.211
  499    HA   GLU  66           HA       GLU  66  71.008   4.958  11.358
  500   1HB   GLU  66           HB2      GLU  66  70.905   6.643   8.882
  501   2HB   GLU  66           HB1      GLU  66  72.030   7.106  10.160
  502   1HG   GLU  66           HG2      GLU  66  72.722   4.591  10.131
  503   2HG   GLU  66           HG1      GLU  66  71.957   4.569   8.543
  504    H    ASP  67           HN       ASP  67  68.341   7.057  10.625
  505    HA   ASP  67           HA       ASP  67  69.010   8.750  13.013
  506   1HB   ASP  67           HB2      ASP  67  67.421  10.366  11.783
  507   2HB   ASP  67           HB1      ASP  67  68.994  10.085  11.037
  508    H    GLY  68           HN       GLY  68  66.797   6.484  11.662
  509   1HA   GLY  68           HA2      GLY  68  64.970   5.441  12.755
  510   2HA   GLY  68           HA1      GLY  68  65.145   6.594  14.079
  511    H    SER  69           HN       SER  69  65.175   8.446  11.370
  512    HA   SER  69           HA       SER  69  62.727   9.749  11.792
  513   1HB   SER  69           HB2      SER  69  63.132  10.651   9.544
  514   2HB   SER  69           HB1      SER  69  64.661  10.499  10.405
  515    HG   SER  69           HG       SER  69  64.287   9.588   8.104
  516    H    GLY  70           HN       GLY  70  63.426   7.063   9.534
  517   1HA   GLY  70           HA2      GLY  70  61.584   5.318   9.433
  518   2HA   GLY  70           HA1      GLY  70  60.471   6.675   9.260
  519    H    THR  71           HN       THR  71  62.813   7.928   7.590
  520    HA   THR  71           HA       THR  71  61.847   6.803   5.012
  521    HB   THR  71           HB       THR  71  63.157   8.894   4.213
  522    HG1  THR  71           HG1      THR  71  63.868  10.226   5.731
  523   1HG2  THR  71          HG22      THR  71  60.584   8.572   5.475
  524   2HG2  THR  71          HG21      THR  71  61.211  10.188   5.799
  525   3HG2  THR  71          HG23      THR  71  61.035   9.627   4.137
  526    H    VAL  72           HN       VAL  72  63.469   6.346   3.306
  527    HA   VAL  72           HA       VAL  72  66.006   5.263   4.469
  528    HB   VAL  72           HB       VAL  72  64.802   4.584   1.785
  529   1HG1  VAL  72          HG13      VAL  72  67.106   3.814   2.508
  530   2HG1  VAL  72          HG12      VAL  72  66.315   2.887   3.782
  531   3HG1  VAL  72          HG11      VAL  72  65.987   2.518   2.089
  532   1HG2  VAL  72          HG21      VAL  72  64.036   3.430   4.488
  533   2HG2  VAL  72          HG23      VAL  72  62.977   4.331   3.404
  534   3HG2  VAL  72          HG22      VAL  72  63.572   2.740   2.932
  535    H    ASP  73           HN       ASP  73  67.773   6.515   4.026
  536    HA   ASP  73           HA       ASP  73  67.721   8.333   1.667
  537   1HB   ASP  73           HB2      ASP  73  69.348   8.070   4.201
  538   2HB   ASP  73           HB1      ASP  73  69.855   9.142   2.895
  539    H    PHE  74           HN       PHE  74  69.723   8.416   0.311
  540    HA   PHE  74           HA       PHE  74  70.480   6.050  -0.905
  541   1HB   PHE  74           HB2      PHE  74  71.039   8.417  -1.561
  542   2HB   PHE  74           HB1      PHE  74  72.308   8.405  -0.335
  543    HD1  PHE  74           HD1      PHE  74  71.089   6.078  -3.025
  544    HD2  PHE  74           HD2      PHE  74  74.445   8.000  -1.154
  545    HE1  PHE  74           HE1      PHE  74  72.622   4.950  -4.615
  546    HE2  PHE  74           HE2      PHE  74  75.977   6.872  -2.745
  547    HZ   PHE  74           HZ       PHE  74  75.065   5.346  -4.474
  548    H    ASP  75           HN       ASP  75  71.771   7.411   2.094
  549    HA   ASP  75           HA       ASP  75  73.980   5.555   2.361
  550   1HB   ASP  75           HB2      ASP  75  72.447   7.423   4.178
  551   2HB   ASP  75           HB1      ASP  75  73.776   6.434   4.785
  552    H    GLU  76           HN       GLU  76  70.764   5.740   3.939
  553    HA   GLU  76           HA       GLU  76  71.058   3.156   5.247
  554   1HB   GLU  76           HB2      GLU  76  68.585   4.819   4.665
  555   2HB   GLU  76           HB1      GLU  76  68.759   3.603   5.930
  556   1HG   GLU  76           HG2      GLU  76  70.415   4.938   7.079
  557   2HG   GLU  76           HG1      GLU  76  70.470   6.096   5.751
  558    H    PHE  77           HN       PHE  77  69.245   4.341   2.404
  559    HA   PHE  77           HA       PHE  77  67.841   2.049   1.653
  560   1HB   PHE  77           HB2      PHE  77  67.787   4.284   0.569
  561   2HB   PHE  77           HB1      PHE  77  69.390   3.983  -0.102
  562    HD1  PHE  77           HD1      PHE  77  65.833   2.950  -0.190
  563    HD2  PHE  77           HD2      PHE  77  69.717   2.484  -1.963
  564    HE1  PHE  77           HE1      PHE  77  64.814   1.757  -2.112
  565    HE2  PHE  77           HE2      PHE  77  68.698   1.292  -3.884
  566    HZ   PHE  77           HZ       PHE  77  66.247   0.928  -3.959
  567    H    LEU  78           HN       LEU  78  71.292   2.768   1.154
  568    HA   LEU  78           HA       LEU  78  71.814   0.406  -0.460
  569   1HB   LEU  78           HB2      LEU  78  73.161   2.756   0.547
  570   2HB   LEU  78           HB1      LEU  78  74.170   1.334   0.812
  571    HG   LEU  78           HG       LEU  78  72.922   2.162  -1.825
  572   1HD1  LEU  78          HD13      LEU  78  75.103   3.268  -0.690
  573   2HD1  LEU  78          HD12      LEU  78  75.857   1.858  -1.435
  574   3HD1  LEU  78          HD11      LEU  78  74.968   3.012  -2.430
  575   1HD2  LEU  78          HD23      LEU  78  74.385  -0.290  -0.894
  576   2HD2  LEU  78          HD22      LEU  78  72.996  -0.165  -1.974
  577   3HD2  LEU  78          HD21      LEU  78  74.605   0.264  -2.555
  578    H    VAL  79           HN       VAL  79  72.249   1.233   2.986
  579    HA   VAL  79           HA       VAL  79  73.575  -1.157   3.796
  580    HB   VAL  79           HB       VAL  79  71.578   0.484   5.380
  581   1HG1  VAL  79          HG13      VAL  79  72.870  -1.701   6.194
  582   2HG1  VAL  79          HG12      VAL  79  74.184  -0.548   6.423
  583   3HG1  VAL  79          HG11      VAL  79  72.652  -0.316   7.265
  584   1HG2  VAL  79          HG21      VAL  79  73.846   1.423   3.966
  585   2HG2  VAL  79          HG23      VAL  79  72.912   2.291   5.185
  586   3HG2  VAL  79          HG22      VAL  79  74.321   1.344   5.663
  587    H    MET  80           HN       MET  80  70.187  -0.485   3.120
  588    HA   MET  80           HA       MET  80  69.030  -2.734   4.483
  589   1HB   MET  80           HB2      MET  80  68.071  -1.451   1.913
  590   2HB   MET  80           HB1      MET  80  67.092  -2.152   3.203
  591   1HG   MET  80           HG2      MET  80  68.593  -0.237   4.529
  592   2HG   MET  80           HG1      MET  80  68.231   0.538   2.986
  593   1HE   MET  80           HE1      MET  80  66.162  -0.324   1.873
  594   2HE   MET  80           HE3      MET  80  64.792  -1.070   2.707
  595   3HE   MET  80           HE2      MET  80  64.804   0.666   2.403
  596    H    MET  81           HN       MET  81  70.519  -2.348   1.294
  597    HA   MET  81           HA       MET  81  69.705  -4.946   0.279
  598   1HB   MET  81           HB2      MET  81  71.742  -2.835  -0.450
  599   2HB   MET  81           HB1      MET  81  71.610  -4.339  -1.364
  600   1HG   MET  81           HG2      MET  81  69.093  -3.798  -1.536
  601   2HG   MET  81           HG1      MET  81  69.539  -2.171  -1.021
  602   1HE   MET  81           HE1      MET  81  68.040  -2.266  -3.277
  603   2HE   MET  81           HE3      MET  81  68.771  -2.168  -4.885
  604   3HE   MET  81           HE2      MET  81  68.472  -3.737  -4.144
  605    H    VAL  82           HN       VAL  82  72.922  -3.702   1.274
  606    HA   VAL  82           HA       VAL  82  74.323  -6.142   1.271
  607    HB   VAL  82           HB       VAL  82  75.443  -4.041   1.524
  608   1HG1  VAL  82          HG12      VAL  82  73.523  -3.698   3.814
  609   2HG1  VAL  82          HG11      VAL  82  75.035  -2.790   3.788
  610   3HG1  VAL  82          HG13      VAL  82  73.866  -2.596   2.480
  611   1HG2  VAL  82          HG23      VAL  82  75.726  -6.110   3.526
  612   2HG2  VAL  82          HG22      VAL  82  76.974  -5.105   2.790
  613   3HG2  VAL  82          HG21      VAL  82  76.116  -4.538   4.224
  614    H    ARG  83           HN       ARG  83  71.921  -4.965   3.523
  615    HA   ARG  83           HA       ARG  83  72.624  -6.885   5.641
  616   1HB   ARG  83           HB2      ARG  83  70.541  -4.774   5.131
  617   2HB   ARG  83           HB1      ARG  83  70.318  -5.916   6.457
  618   1HG   ARG  83           HG2      ARG  83  72.651  -5.305   7.240
  619   2HG   ARG  83           HG1      ARG  83  72.628  -4.003   6.050
  620   1HD   ARG  83           HD2      ARG  83  71.906  -3.142   8.245
  621   2HD   ARG  83           HD1      ARG  83  70.532  -3.124   7.121
  622    HE   ARG  83           HE       ARG  83  69.650  -5.096   8.226
  623   1HH1  ARG  83          HH21      ARG  83  72.852  -4.503   9.244
  624   2HH1  ARG  83          HH22      ARG  83  72.611  -5.102  10.851
  625   1HH2  ARG  83          HH11      ARG  83  69.206  -5.608  10.437
  626   2HH2  ARG  83          HH12      ARG  83  70.548  -5.730  11.526
  627    H    CYS  84           HN       CYS  84  70.435  -6.691   2.902
  628    HA   CYS  84           HA       CYS  84  68.778  -8.955   3.771
  629   1HB   CYS  84           HB2      CYS  84  68.405  -6.815   2.160
  630   2HB   CYS  84           HB1      CYS  84  68.853  -8.014   0.946
  631    HG   CYS  84           HG       CYS  84  66.730  -9.275   1.370
  632    H    MET  85           HN       MET  85  71.158  -8.385   1.150
  633    HA   MET  85           HA       MET  85  71.239 -11.207   0.406
  634   1HB   MET  85           HB2      MET  85  72.855 -10.417  -1.207
  635   2HB   MET  85           HB1      MET  85  71.611  -9.173  -1.071
  636   1HG   MET  85           HG2      MET  85  72.997  -7.825   0.356
  637   2HG   MET  85           HG1      MET  85  74.179  -9.123   0.532
  638   1HE   MET  85           HE1      MET  85  72.492  -6.564  -1.381
  639   2HE   MET  85           HE3      MET  85  74.038  -5.732  -1.164
  640   3HE   MET  85           HE2      MET  85  73.484  -6.160  -2.781
  641    H    LYS  86           HN       LYS  86  72.688  -9.332   2.869
  642    HA   LYS  86           HA       LYS  86  74.506  -9.741   4.331
  643   1HB   LYS  86           HB2      LYS  86  73.170 -12.326   3.638
  644   2HB   LYS  86           HB1      LYS  86  74.648 -12.395   4.597
  645   1HG   LYS  86           HG2      LYS  86  73.154 -10.321   5.746
  646   2HG   LYS  86           HG1      LYS  86  71.976 -11.590   5.407
  647   1HD   LYS  86           HD2      LYS  86  72.758 -12.230   7.511
  648   2HD   LYS  86           HD1      LYS  86  73.797 -13.174   6.445
  649   1HE   LYS  86           HE2      LYS  86  75.141 -10.739   6.661
  650   2HE   LYS  86           HE1      LYS  86  74.531 -11.039   8.300
  651   1HZ   LYS  86           HZ3      LYS  86  75.718 -13.230   6.724
  652   2HZ   LYS  86           HZ2      LYS  86  76.722 -12.162   7.583
  653   3HZ   LYS  86           HZ1      LYS  86  75.563 -13.091   8.407
  654    H    ASP  87           HN       ASP  87  76.311  -8.994   3.094
  655    HA   ASP  87           HA       ASP  87  77.533 -10.459   0.945
  656   1HB   ASP  87           HB2      ASP  87  77.725  -7.977   2.035
  657   2HB   ASP  87           HB1      ASP  87  79.188  -8.714   2.689
  658    H    ASP  88           HN       ASP  88  80.294 -10.305   2.071
  659    HA   ASP  88           HA       ASP  88  81.811 -11.876   2.992
  660   1HB   ASP  88           HB2      ASP  88  79.666 -11.243   4.969
  661   2HB   ASP  88           HB1      ASP  88  80.761 -12.564   5.376
  662    H    SER  89           HN       SER  89  79.780 -12.980   1.172
  663    HA   SER  89           HA       SER  89  79.240 -15.650   2.413
  664   1HB   SER  89           HB2      SER  89  77.279 -14.533   1.575
  665   2HB   SER  89           HB1      SER  89  78.090 -14.113   0.068
  666    HG   SER  89           HG       SER  89  76.974 -15.896  -0.449
   
  No H/Q in entry =         666
  Start of MODEL    6
    1   1H    MET   1           HT3      MET   1  82.600  -1.398  15.905
    2   2H    MET   1           HT2      MET   1  82.342  -2.639  17.036
    3   3H    MET   1           HT1      MET   1  82.171  -1.014  17.500
    4    HA   MET   1           HA       MET   1  84.263  -1.272  18.291
    5   1HB   MET   1           HB2      MET   1  83.825  -3.744  17.441
    6   2HB   MET   1           HB1      MET   1  84.954  -3.279  16.168
    7   1HG   MET   1           HG2      MET   1  86.712  -2.913  17.688
    8   2HG   MET   1           HG1      MET   1  85.616  -2.766  19.062
    9   1HE   MET   1           HE2      MET   1  87.122  -4.133  20.379
   10   2HE   MET   1           HE1      MET   1  85.491  -4.662  20.787
   11   3HE   MET   1           HE3      MET   1  86.788  -5.850  20.597
   12    H    ASP   2           HN       ASP   2  84.042  -1.551  14.725
   13    HA   ASP   2           HA       ASP   2  85.536   0.967  14.420
   14   1HB   ASP   2           HB2      ASP   2  86.896  -1.475  14.612
   15   2HB   ASP   2           HB1      ASP   2  86.851  -1.128  12.884
   16    H    ASP   3           HN       ASP   3  83.078   0.862  13.521
   17    HA   ASP   3           HA       ASP   3  81.740   1.053  11.583
   18   1HB   ASP   3           HB2      ASP   3  84.434   0.833  10.205
   19   2HB   ASP   3           HB1      ASP   3  82.983   1.616   9.576
   20    H    ILE   4           HN       ILE   4  80.500  -0.649  10.936
   21    HA   ILE   4           HA       ILE   4  81.883  -3.120   9.938
   22    HB   ILE   4           HB       ILE   4  79.182  -2.952  11.297
   23   1HG1  ILE   4          HG12      ILE   4  81.001  -4.027  13.119
   24   2HG1  ILE   4          HG11      ILE   4  81.855  -2.644  12.432
   25   1HG2  ILE   4          HG23      ILE   4  80.734  -5.028  10.062
   26   2HG2  ILE   4          HG22      ILE   4  80.603  -5.367  11.788
   27   3HG2  ILE   4          HG21      ILE   4  79.146  -5.150  10.818
   28   1HD1  ILE   4          HD13      ILE   4  79.034  -2.531  13.535
   29   2HD1  ILE   4          HD12      ILE   4  80.473  -2.042  14.430
   30   3HD1  ILE   4          HD11      ILE   4  80.000  -1.167  12.974
   31    H    TYR   5           HN       TYR   5  78.544  -1.822   9.921
   32    HA   TYR   5           HA       TYR   5  77.915  -2.854   7.320
   33   1HB   TYR   5           HB2      TYR   5  76.791  -0.723   9.144
   34   2HB   TYR   5           HB1      TYR   5  76.043  -1.084   7.587
   35    HD1  TYR   5           HD2      TYR   5  75.011  -3.268   7.153
   36    HD2  TYR   5           HD1      TYR   5  76.760  -2.340  10.966
   37    HE1  TYR   5           HE2      TYR   5  73.883  -5.239   8.151
   38    HE2  TYR   5           HE1      TYR   5  75.632  -4.312  11.962
   39    HH   TYR   5           HH       TYR   5  73.933  -5.829  11.611
   40    H    LYS   6           HN       LYS   6  79.381   0.153   8.422
   41    HA   LYS   6           HA       LYS   6  79.082   1.803   6.155
   42   1HB   LYS   6           HB2      LYS   6  81.565   1.444   7.868
   43   2HB   LYS   6           HB1      LYS   6  81.065   2.911   7.026
   44   1HG   LYS   6           HG2      LYS   6  78.890   2.709   8.442
   45   2HG   LYS   6           HG1      LYS   6  79.841   1.630   9.462
   46   1HD   LYS   6           HD2      LYS   6  81.253   3.313  10.172
   47   2HD   LYS   6           HD1      LYS   6  81.057   4.248   8.689
   48   1HE   LYS   6           HE2      LYS   6  79.891   5.449  10.439
   49   2HE   LYS   6           HE1      LYS   6  78.644   4.680   9.434
   50   1HZ   LYS   6           HZ1      LYS   6  79.844   3.348  11.795
   51   2HZ   LYS   6           HZ3      LYS   6  78.441   4.294  11.906
   52   3HZ   LYS   6           HZ2      LYS   6  78.447   2.898  10.939
   53    H    ALA   7           HN       ALA   7  81.478  -0.748   6.810
   54    HA   ALA   7           HA       ALA   7  82.957  -0.418   4.352
   55   1HB   ALA   7           HB2      ALA   7  82.895  -2.071   6.732
   56   2HB   ALA   7           HB1      ALA   7  83.167  -3.070   5.305
   57   3HB   ALA   7           HB3      ALA   7  84.255  -1.729   5.662
   58    H    ALA   8           HN       ALA   8  80.392  -2.699   5.372
   59    HA   ALA   8           HA       ALA   8  80.196  -4.299   3.077
   60   1HB   ALA   8           HB3      ALA   8  78.899  -4.087   5.417
   61   2HB   ALA   8           HB2      ALA   8  77.703  -3.297   4.388
   62   3HB   ALA   8           HB1      ALA   8  78.200  -4.955   4.050
   63    H    VAL   9           HN       VAL   9  78.554  -1.181   3.704
   64    HA   VAL   9           HA       VAL   9  77.291  -1.050   1.103
   65    HB   VAL   9           HB       VAL   9  77.945   1.030   3.214
   66   1HG1  VAL   9          HG12      VAL   9  76.802   1.262   0.559
   67   2HG1  VAL   9          HG11      VAL   9  75.630   1.742   1.787
   68   3HG1  VAL   9          HG13      VAL   9  77.202   2.536   1.712
   69   1HG2  VAL   9          HG23      VAL   9  76.139  -1.159   3.188
   70   2HG2  VAL   9          HG22      VAL   9  76.232   0.141   4.376
   71   3HG2  VAL   9          HG21      VAL   9  75.169   0.298   2.977
   72    H    GLU  10           HN       GLU  10  80.109   0.654   2.520
   73    HA   GLU  10           HA       GLU  10  80.858   2.073   0.156
   74   1HB   GLU  10           HB2      GLU  10  81.586   2.104   2.729
   75   2HB   GLU  10           HB1      GLU  10  82.897   1.094   2.115
   76   1HG   GLU  10           HG2      GLU  10  82.281   3.503   0.503
   77   2HG   GLU  10           HG1      GLU  10  82.972   3.810   2.097
   78    H    GLN  11           HN       GLN  11  81.232  -1.265   1.052
   79    HA   GLN  11           HA       GLN  11  83.528  -1.942  -0.532
   80   1HB   GLN  11           HB2      GLN  11  81.481  -3.190   1.066
   81   2HB   GLN  11           HB1      GLN  11  81.688  -4.106  -0.426
   82   1HG   GLN  11           HG2      GLN  11  83.620  -4.966   0.338
   83   2HG   GLN  11           HG1      GLN  11  84.274  -3.343   0.558
   84   1HE2  GLN  11          HE22      GLN  11  84.279  -3.875   4.036
   85   2HE2  GLN  11          HE21      GLN  11  85.143  -3.395   2.655
   86    H    LEU  12           HN       LEU  12  80.291  -1.108  -1.393
   87    HA   LEU  12           HA       LEU  12  79.975  -2.594  -3.819
   88   1HB   LEU  12           HB2      LEU  12  78.943   0.075  -2.821
   89   2HB   LEU  12           HB1      LEU  12  78.354  -0.691  -4.295
   90    HG   LEU  12           HG       LEU  12  78.419  -2.289  -1.759
   91   1HD1  LEU  12          HD13      LEU  12  76.992   0.174  -2.053
   92   2HD1  LEU  12          HD12      LEU  12  75.826  -1.147  -2.099
   93   3HD1  LEU  12          HD11      LEU  12  76.914  -0.980  -0.723
   94   1HD2  LEU  12          HD21      LEU  12  76.580  -2.180  -4.173
   95   2HD2  LEU  12          HD23      LEU  12  77.851  -3.371  -3.896
   96   3HD2  LEU  12          HD22      LEU  12  76.439  -3.326  -2.840
   97    H    THR  13           HN       THR  13  80.862  -2.271  -5.835
   98    HA   THR  13           HA       THR  13  83.091  -0.523  -6.245
   99    HB   THR  13           HB       THR  13  82.760  -1.249  -8.621
  100    HG1  THR  13           HG1      THR  13  80.970  -2.445  -9.119
  101   1HG2  THR  13          HG21      THR  13  83.378  -2.793  -6.391
  102   2HG2  THR  13          HG23      THR  13  82.202  -3.773  -7.268
  103   3HG2  THR  13          HG22      THR  13  83.676  -3.235  -8.072
  104    H    GLU  14           HN       GLU  14  83.212   1.435  -7.481
  105    HA   GLU  14           HA       GLU  14  81.243   3.397  -7.105
  106   1HB   GLU  14           HB2      GLU  14  82.474   4.542  -8.994
  107   2HB   GLU  14           HB1      GLU  14  83.531   3.892  -7.740
  108   1HG   GLU  14           HG2      GLU  14  83.414   1.731  -9.335
  109   2HG   GLU  14           HG1      GLU  14  83.144   2.981 -10.550
  110    H    GLU  15           HN       GLU  15  81.705   1.248  -9.925
  111    HA   GLU  15           HA       GLU  15  79.635   2.350 -11.560
  112   1HB   GLU  15           HB2      GLU  15  79.824   0.124 -12.689
  113   2HB   GLU  15           HB1      GLU  15  81.396   0.853 -12.366
  114   1HG   GLU  15           HG2      GLU  15  81.764  -0.556 -10.466
  115   2HG   GLU  15           HG1      GLU  15  80.089  -1.109 -10.471
  116    H    GLN  16           HN       GLN  16  79.528   0.256  -8.770
  117    HA   GLN  16           HA       GLN  16  76.853  -0.802  -9.299
  118   1HB   GLN  16           HB2      GLN  16  78.641  -1.940  -7.975
  119   2HB   GLN  16           HB1      GLN  16  78.512  -0.667  -6.760
  120   1HG   GLN  16           HG2      GLN  16  77.142  -2.453  -5.963
  121   2HG   GLN  16           HG1      GLN  16  76.027  -1.253  -6.615
  122   1HE2  GLN  16          HE22      GLN  16  75.242  -4.704  -7.986
  123   2HE2  GLN  16          HE21      GLN  16  75.471  -4.133  -6.404
  124    H    LYS  17           HN       LYS  17  78.141   1.407  -6.777
  125    HA   LYS  17           HA       LYS  17  75.623   2.298  -5.801
  126   1HB   LYS  17           HB2      LYS  17  78.402   3.491  -5.925
  127   2HB   LYS  17           HB1      LYS  17  77.081   4.288  -5.071
  128   1HG   LYS  17           HG2      LYS  17  76.921   2.603  -3.465
  129   2HG   LYS  17           HG1      LYS  17  77.660   1.394  -4.517
  130   1HD   LYS  17           HD2      LYS  17  79.557   1.796  -3.341
  131   2HD   LYS  17           HD1      LYS  17  79.661   3.277  -4.293
  132   1HE   LYS  17           HE2      LYS  17  79.698   4.255  -2.203
  133   2HE   LYS  17           HE1      LYS  17  77.936   4.082  -2.341
  134   1HZ   LYS  17           HZ3      LYS  17  79.564   1.812  -1.413
  135   2HZ   LYS  17           HZ2      LYS  17  79.152   3.043  -0.316
  136   3HZ   LYS  17           HZ1      LYS  17  77.934   2.156  -1.101
  137    H    ASN  18           HN       ASN  18  77.515   3.297  -8.601
  138    HA   ASN  18           HA       ASN  18  76.187   5.789  -9.129
  139   1HB   ASN  18           HB2      ASN  18  77.981   3.854 -10.463
  140   2HB   ASN  18           HB1      ASN  18  77.005   4.828 -11.564
  141   1HD2  ASN  18          HD22      ASN  18  80.239   6.549 -10.207
  142   2HD2  ASN  18          HD21      ASN  18  80.007   4.896 -10.515
  143    H    GLU  19           HN       GLU  19  75.293   2.453  -9.666
  144    HA   GLU  19           HA       GLU  19  73.221   3.045 -11.655
  145   1HB   GLU  19           HB2      GLU  19  74.246   0.687 -10.102
  146   2HB   GLU  19           HB1      GLU  19  72.683   0.560 -10.909
  147   1HG   GLU  19           HG2      GLU  19  75.286   1.356 -12.247
  148   2HG   GLU  19           HG1      GLU  19  74.513  -0.225 -12.377
  149    H    PHE  20           HN       PHE  20  73.385   2.411  -8.161
  150    HA   PHE  20           HA       PHE  20  70.535   2.310  -7.715
  151   1HB   PHE  20           HB2      PHE  20  73.038   2.690  -6.095
  152   2HB   PHE  20           HB1      PHE  20  71.472   2.943  -5.326
  153    HD1  PHE  20           HD1      PHE  20  72.167   0.535  -8.070
  154    HD2  PHE  20           HD2      PHE  20  71.432   1.041  -3.868
  155    HE1  PHE  20           HE1      PHE  20  71.888  -1.915  -7.825
  156    HE2  PHE  20           HE2      PHE  20  71.153  -1.410  -3.623
  157    HZ   PHE  20           HZ       PHE  20  71.381  -2.888  -5.601
  158    H    LYS  21           HN       LYS  21  72.851   4.911  -8.073
  159    HA   LYS  21           HA       LYS  21  71.486   7.028  -6.753
  160   1HB   LYS  21           HB2      LYS  21  73.830   6.809  -7.908
  161   2HB   LYS  21           HB1      LYS  21  72.974   7.353  -9.351
  162   1HG   LYS  21           HG2      LYS  21  72.271   9.385  -8.254
  163   2HG   LYS  21           HG1      LYS  21  72.889   8.819  -6.702
  164   1HD   LYS  21           HD2      LYS  21  75.085   9.223  -7.271
  165   2HD   LYS  21           HD1      LYS  21  74.807   8.920  -8.986
  166   1HE   LYS  21           HE2      LYS  21  73.423  11.095  -8.984
  167   2HE   LYS  21           HE1      LYS  21  74.176  11.425  -7.410
  168   1HZ   LYS  21           HZ3      LYS  21  75.834  10.540  -9.678
  169   2HZ   LYS  21           HZ2      LYS  21  75.386  12.174  -9.557
  170   3HZ   LYS  21           HZ1      LYS  21  76.283  11.442  -8.314
  171    H    ALA  22           HN       ALA  22  71.375   6.134 -10.230
  172    HA   ALA  22           HA       ALA  22  69.380   7.970 -11.033
  173   1HB   ALA  22           HB1      ALA  22  70.551   5.409 -11.939
  174   2HB   ALA  22           HB3      ALA  22  68.940   5.740 -12.576
  175   3HB   ALA  22           HB2      ALA  22  70.250   6.888 -12.852
  176    H    ALA  23           HN       ALA  23  69.016   4.633  -9.799
  177    HA   ALA  23           HA       ALA  23  66.145   4.570  -9.929
  178   1HB   ALA  23           HB2      ALA  23  68.265   3.098  -8.346
  179   2HB   ALA  23           HB1      ALA  23  66.554   2.677  -8.245
  180   3HB   ALA  23           HB3      ALA  23  67.407   2.540  -9.783
  181    H    PHE  24           HN       PHE  24  68.438   5.615  -7.420
  182    HA   PHE  24           HA       PHE  24  66.756   5.852  -5.189
  183   1HB   PHE  24           HB2      PHE  24  69.128   6.305  -5.099
  184   2HB   PHE  24           HB1      PHE  24  68.972   7.624  -6.259
  185    HD1  PHE  24           HD2      PHE  24  66.560   6.954  -3.535
  186    HD2  PHE  24           HD1      PHE  24  69.841   9.389  -4.858
  187    HE1  PHE  24           HE2      PHE  24  66.133   8.539  -1.677
  188    HE2  PHE  24           HE1      PHE  24  69.415  10.975  -3.000
  189    HZ   PHE  24           HZ       PHE  24  67.560  10.550  -1.410
  190    H    ASP  25           HN       ASP  25  67.211   8.206  -7.846
  191    HA   ASP  25           HA       ASP  25  65.280  10.106  -6.821
  192   1HB   ASP  25           HB2      ASP  25  66.829   9.610  -9.338
  193   2HB   ASP  25           HB1      ASP  25  65.506  10.776  -9.384
  194    H    ILE  26           HN       ILE  26  64.906   7.066  -8.317
  195    HA   ILE  26           HA       ILE  26  62.406   7.710  -9.732
  196    HB   ILE  26           HB       ILE  26  63.960   5.179  -9.155
  197   1HG1  ILE  26          HG12      ILE  26  63.667   7.066 -11.497
  198   2HG1  ILE  26          HG11      ILE  26  65.147   6.527 -10.707
  199   1HG2  ILE  26          HG22      ILE  26  61.499   5.601 -10.878
  200   2HG2  ILE  26          HG21      ILE  26  62.450   4.118 -10.810
  201   3HG2  ILE  26          HG23      ILE  26  61.565   4.664  -9.385
  202   1HD1  ILE  26          HD12      ILE  26  64.435   4.153 -11.478
  203   2HD1  ILE  26          HD11      ILE  26  63.354   5.002 -12.583
  204   3HD1  ILE  26          HD13      ILE  26  65.096   5.255 -12.686
  205    H    PHE  27           HN       PHE  27  63.391   6.398  -6.612
  206    HA   PHE  27           HA       PHE  27  60.667   5.436  -5.993
  207   1HB   PHE  27           HB2      PHE  27  63.126   5.675  -4.233
  208   2HB   PHE  27           HB1      PHE  27  61.736   4.617  -3.984
  209    HD1  PHE  27           HD1      PHE  27  61.180   3.249  -6.352
  210    HD2  PHE  27           HD2      PHE  27  65.026   4.544  -4.944
  211    HE1  PHE  27           HE1      PHE  27  62.272   1.482  -7.710
  212    HE2  PHE  27           HE2      PHE  27  66.117   2.780  -6.304
  213    HZ   PHE  27           HZ       PHE  27  64.741   1.250  -7.687
  214    H    VAL  28           HN       VAL  28  62.741   8.208  -5.321
  215    HA   VAL  28           HA       VAL  28  61.057   9.269  -3.183
  216    HB   VAL  28           HB       VAL  28  62.645  11.125  -3.326
  217   1HG1  VAL  28          HG13      VAL  28  63.322   8.413  -2.934
  218   2HG1  VAL  28          HG12      VAL  28  64.642   9.115  -3.868
  219   3HG1  VAL  28          HG11      VAL  28  64.182   9.825  -2.322
  220   1HG2  VAL  28          HG23      VAL  28  63.208   9.884  -6.007
  221   2HG2  VAL  28          HG22      VAL  28  62.925  11.579  -5.608
  222   3HG2  VAL  28          HG21      VAL  28  64.461  10.818  -5.189
  223    H    LEU  29           HN       LEU  29  60.384   8.913  -6.359
  224    HA   LEU  29           HA       LEU  29  59.682  11.394  -7.452
  225   1HB   LEU  29           HB2      LEU  29  58.995   8.589  -7.736
  226   2HB   LEU  29           HB1      LEU  29  57.582   9.605  -8.033
  227    HG   LEU  29           HG       LEU  29  59.551  10.984  -9.363
  228   1HD1  LEU  29          HD12      LEU  29  60.082   8.011  -9.645
  229   2HD1  LEU  29          HD11      LEU  29  60.723   9.245 -10.730
  230   3HD1  LEU  29          HD13      LEU  29  61.203   9.226  -9.033
  231   1HD2  LEU  29          HD23      LEU  29  57.179   9.572  -9.944
  232   2HD2  LEU  29          HD22      LEU  29  58.022  10.708 -10.997
  233   3HD2  LEU  29          HD21      LEU  29  58.376   8.983 -11.099
  234    H    GLY  30           HN       GLY  30  58.946  12.833  -5.778
  235   1HA   GLY  30           HA2      GLY  30  56.720  13.845  -5.230
  236   2HA   GLY  30           HA1      GLY  30  56.191  12.221  -4.784
  237    H    ALA  31           HN       ALA  31  59.081  11.927  -3.637
  238    HA   ALA  31           HA       ALA  31  58.574  12.105  -0.920
  239   1HB   ALA  31           HB1      ALA  31  60.592  11.171  -2.063
  240   2HB   ALA  31           HB3      ALA  31  61.164  12.817  -2.332
  241   3HB   ALA  31           HB2      ALA  31  61.011  12.195  -0.689
  242    H    GLU  32           HN       GLU  32  59.286  13.745   0.698
  243    HA   GLU  32           HA       GLU  32  58.644  16.493  -0.233
  244   1HB   GLU  32           HB2      GLU  32  58.993  15.254   2.518
  245   2HB   GLU  32           HB1      GLU  32  58.400  16.885   2.206
  246   1HG   GLU  32           HG2      GLU  32  56.932  14.964   0.616
  247   2HG   GLU  32           HG1      GLU  32  56.867  14.525   2.323
  248    H    ASP  33           HN       ASP  33  61.365  14.572   0.673
  249    HA   ASP  33           HA       ASP  33  63.076  17.029   0.677
  250   1HB   ASP  33           HB2      ASP  33  64.359  15.961   2.532
  251   2HB   ASP  33           HB1      ASP  33  62.686  16.285   2.984
  252    H    GLY  34           HN       GLY  34  62.360  14.353  -0.984
  253   1HA   GLY  34           HA2      GLY  34  63.607  13.364  -2.748
  254   2HA   GLY  34           HA1      GLY  34  65.062  14.142  -2.120
  255    H    CYS  35           HN       CYS  35  62.832  12.155  -0.240
  256    HA   CYS  35           HA       CYS  35  65.074  10.214   0.200
  257   1HB   CYS  35           HB2      CYS  35  62.851  11.347   1.882
  258   2HB   CYS  35           HB1      CYS  35  63.559   9.790   2.310
  259    HG   CYS  35           HG       CYS  35  65.634  10.931   3.070
  260    H    ILE  36           HN       ILE  36  64.221   7.937   0.714
  261    HA   ILE  36           HA       ILE  36  61.994   7.295  -1.179
  262    HB   ILE  36           HB       ILE  36  63.865   5.256  -0.017
  263   1HG1  ILE  36          HG12      ILE  36  64.620   7.163  -2.260
  264   2HG1  ILE  36          HG11      ILE  36  65.322   7.181  -0.641
  265   1HG2  ILE  36          HG22      ILE  36  62.177   5.655  -2.426
  266   2HG2  ILE  36          HG21      ILE  36  63.696   4.796  -2.681
  267   3HG2  ILE  36          HG23      ILE  36  62.519   4.179  -1.521
  268   1HD1  ILE  36          HD11      ILE  36  65.600   4.540  -1.342
  269   2HD1  ILE  36          HD13      ILE  36  65.841   5.350  -2.889
  270   3HD1  ILE  36          HD12      ILE  36  66.864   5.758  -1.511
  271    H    SER  37           HN       SER  37  60.478   7.941   0.637
  272    HA   SER  37           HA       SER  37  60.293   6.772   3.172
  273   1HB   SER  37           HB2      SER  37  58.853   8.561   2.210
  274   2HB   SER  37           HB1      SER  37  58.066   7.358   1.192
  275    HG   SER  37           HG       SER  37  57.299   8.025   3.529
  276    H    THR  38           HN       THR  38  59.125   4.896   3.954
  277    HA   THR  38           HA       THR  38  59.585   2.455   2.617
  278    HB   THR  38           HB       THR  38  59.012   2.971   5.063
  279    HG1  THR  38           HG1      THR  38  57.773   0.944   5.197
  280   1HG2  THR  38          HG22      THR  38  56.722   4.008   3.975
  281   2HG2  THR  38          HG21      THR  38  56.172   2.421   4.511
  282   3HG2  THR  38          HG23      THR  38  56.900   3.539   5.665
  283    H    LYS  39           HN       LYS  39  56.960   4.745   2.269
  284    HA   LYS  39           HA       LYS  39  54.904   3.158   1.184
  285   1HB   LYS  39           HB2      LYS  39  55.757   5.930   1.268
  286   2HB   LYS  39           HB1      LYS  39  55.012   5.560  -0.288
  287   1HG   LYS  39           HG2      LYS  39  53.008   5.762   0.723
  288   2HG   LYS  39           HG1      LYS  39  53.386   4.283   1.607
  289   1HD   LYS  39           HD2      LYS  39  54.564   5.686   3.325
  290   2HD   LYS  39           HD1      LYS  39  53.984   7.122   2.480
  291   1HE   LYS  39           HE2      LYS  39  51.761   5.338   2.885
  292   2HE   LYS  39           HE1      LYS  39  52.584   5.605   4.434
  293   1HZ   LYS  39           HZ1      LYS  39  51.814   7.741   2.514
  294   2HZ   LYS  39           HZ3      LYS  39  50.983   7.378   3.946
  295   3HZ   LYS  39           HZ2      LYS  39  52.573   7.973   4.017
  296    H    GLU  40           HN       GLU  40  57.814   4.461  -0.394
  297    HA   GLU  40           HA       GLU  40  57.074   3.010  -2.904
  298   1HB   GLU  40           HB2      GLU  40  58.522   5.482  -2.156
  299   2HB   GLU  40           HB1      GLU  40  59.253   4.566  -3.474
  300   1HG   GLU  40           HG2      GLU  40  57.668   5.279  -4.901
  301   2HG   GLU  40           HG1      GLU  40  56.399   4.656  -3.847
  302    H    LEU  41           HN       LEU  41  57.992   1.386  -0.798
  303    HA   LEU  41           HA       LEU  41  60.810   0.770  -1.628
  304   1HB   LEU  41           HB2      LEU  41  60.548   1.593   0.683
  305   2HB   LEU  41           HB1      LEU  41  59.361   0.330   1.003
  306    HG   LEU  41           HG       LEU  41  61.805  -0.093   1.753
  307   1HD1  LEU  41          HD13      LEU  41  59.754  -1.789   0.709
  308   2HD1  LEU  41          HD12      LEU  41  61.315  -2.452   0.226
  309   3HD1  LEU  41          HD11      LEU  41  60.967  -2.168   1.931
  310   1HD2  LEU  41          HD23      LEU  41  62.758   0.660  -0.461
  311   2HD2  LEU  41          HD22      LEU  41  63.312  -0.933   0.054
  312   3HD2  LEU  41          HD21      LEU  41  62.067  -0.791  -1.188
  313    H    GLY  42           HN       GLY  42  57.587  -0.509  -0.974
  314   1HA   GLY  42           HA2      GLY  42  58.381  -3.298  -1.269
  315   2HA   GLY  42           HA1      GLY  42  56.722  -2.694  -1.231
  316    H    LYS  43           HN       LYS  43  56.261  -1.234  -3.304
  317    HA   LYS  43           HA       LYS  43  56.246  -2.901  -5.589
  318   1HB   LYS  43           HB2      LYS  43  55.711  -0.705  -6.743
  319   2HB   LYS  43           HB1      LYS  43  54.742  -1.024  -5.304
  320   1HG   LYS  43           HG2      LYS  43  55.709   0.669  -4.114
  321   2HG   LYS  43           HG1      LYS  43  57.296   0.405  -4.834
  322   1HD   LYS  43           HD2      LYS  43  56.928   1.918  -6.484
  323   2HD   LYS  43           HD1      LYS  43  55.275   1.362  -6.744
  324   1HE   LYS  43           HE2      LYS  43  55.547   2.679  -4.155
  325   2HE   LYS  43           HE1      LYS  43  56.007   3.751  -5.493
  326   1HZ   LYS  43           HZ3      LYS  43  53.671   2.042  -5.878
  327   2HZ   LYS  43           HZ2      LYS  43  53.488   3.365  -4.829
  328   3HZ   LYS  43           HZ1      LYS  43  53.964   3.615  -6.442
  329    H    VAL  44           HN       VAL  44  58.786  -0.959  -4.277
  330    HA   VAL  44           HA       VAL  44  60.284  -0.659  -6.783
  331    HB   VAL  44           HB       VAL  44  60.801  -0.165  -3.841
  332   1HG1  VAL  44          HG12      VAL  44  62.650  -0.013  -6.199
  333   2HG1  VAL  44          HG11      VAL  44  62.810   1.173  -4.904
  334   3HG1  VAL  44          HG13      VAL  44  62.986  -0.546  -4.552
  335   1HG2  VAL  44          HG23      VAL  44  60.307   1.596  -6.259
  336   2HG2  VAL  44          HG22      VAL  44  59.274   1.413  -4.841
  337   3HG2  VAL  44          HG21      VAL  44  60.835   2.221  -4.696
  338    H    MET  45           HN       MET  45  60.994  -2.349  -3.700
  339    HA   MET  45           HA       MET  45  63.196  -3.869  -4.537
  340   1HB   MET  45           HB2      MET  45  60.935  -4.302  -2.582
  341   2HB   MET  45           HB1      MET  45  62.223  -5.498  -2.749
  342   1HG   MET  45           HG2      MET  45  63.300  -2.801  -2.579
  343   2HG   MET  45           HG1      MET  45  62.303  -3.185  -1.176
  344   1HE   MET  45           HE3      MET  45  65.373  -2.877  -2.476
  345   2HE   MET  45           HE2      MET  45  65.598  -2.765  -0.732
  346   3HE   MET  45           HE1      MET  45  66.492  -3.972  -1.654
  347    H    ARG  46           HN       ARG  46  59.818  -4.271  -5.345
  348    HA   ARG  46           HA       ARG  46  60.001  -7.040  -6.208
  349   1HB   ARG  46           HB2      ARG  46  58.066  -4.902  -5.957
  350   2HB   ARG  46           HB1      ARG  46  57.885  -5.703  -7.519
  351   1HG   ARG  46           HG2      ARG  46  57.582  -7.839  -6.500
  352   2HG   ARG  46           HG1      ARG  46  58.128  -7.246  -4.931
  353   1HD   ARG  46           HD2      ARG  46  55.839  -7.142  -4.576
  354   2HD   ARG  46           HD1      ARG  46  56.064  -5.550  -5.326
  355    HE   ARG  46           HE       ARG  46  55.764  -7.469  -7.407
  356   1HH1  ARG  46          HH21      ARG  46  54.182  -4.907  -7.105
  357   2HH1  ARG  46          HH22      ARG  46  52.573  -5.515  -6.898
  358   1HH2  ARG  46          HH11      ARG  46  53.604  -8.745  -6.166
  359   2HH2  ARG  46          HH12      ARG  46  52.245  -7.690  -6.367
  360    H    MET  47           HN       MET  47  60.015  -3.892  -7.918
  361    HA   MET  47           HA       MET  47  60.541  -5.195 -10.502
  362   1HB   MET  47           HB2      MET  47  60.258  -3.002 -11.362
  363   2HB   MET  47           HB1      MET  47  59.179  -3.054  -9.969
  364   1HG   MET  47           HG2      MET  47  60.285  -1.067  -9.537
  365   2HG   MET  47           HG1      MET  47  61.352  -2.193  -8.697
  366   1HE   MET  47           HE2      MET  47  62.529  -0.171  -8.707
  367   2HE   MET  47           HE1      MET  47  64.096  -0.417  -9.473
  368   3HE   MET  47           HE3      MET  47  62.979   0.801 -10.107
  369    H    LEU  48           HN       LEU  48  62.359  -3.579  -7.960
  370    HA   LEU  48           HA       LEU  48  64.777  -3.056  -9.396
  371   1HB   LEU  48           HB2      LEU  48  63.711  -2.862  -6.778
  372   2HB   LEU  48           HB1      LEU  48  65.209  -3.782  -6.635
  373    HG   LEU  48           HG       LEU  48  64.848  -1.042  -7.872
  374   1HD1  LEU  48          HD13      LEU  48  65.757  -2.086  -5.307
  375   2HD1  LEU  48          HD12      LEU  48  66.990  -1.092  -6.081
  376   3HD1  LEU  48          HD11      LEU  48  65.388  -0.424  -5.770
  377   1HD2  LEU  48          HD21      LEU  48  66.909  -3.133  -8.279
  378   2HD2  LEU  48          HD23      LEU  48  66.464  -1.776  -9.314
  379   3HD2  LEU  48          HD22      LEU  48  67.530  -1.521  -7.932
  380    H    GLY  49           HN       GLY  49  63.509  -5.988  -7.876
  381   1HA   GLY  49           HA2      GLY  49  64.465  -8.061  -9.081
  382   2HA   GLY  49           HA1      GLY  49  66.035  -7.402  -8.622
  383    H    GLN  50           HN       GLN  50  63.891  -6.655  -6.180
  384    HA   GLN  50           HA       GLN  50  64.834  -9.001  -4.579
  385   1HB   GLN  50           HB2      GLN  50  63.802  -6.261  -3.773
  386   2HB   GLN  50           HB1      GLN  50  64.468  -7.469  -2.675
  387   1HG   GLN  50           HG2      GLN  50  66.367  -7.177  -4.745
  388   2HG   GLN  50           HG1      GLN  50  65.872  -5.541  -4.306
  389   1HE2  GLN  50          HE22      GLN  50  68.576  -6.345  -1.939
  390   2HE2  GLN  50          HE21      GLN  50  68.416  -5.988  -3.590
  391    H    ASN  51           HN       ASN  51  63.156  -9.476  -2.700
  392    HA   ASN  51           HA       ASN  51  60.341  -9.229  -3.650
  393   1HB   ASN  51           HB2      ASN  51  61.796 -11.368  -4.362
  394   2HB   ASN  51           HB1      ASN  51  61.306 -11.910  -2.757
  395   1HD2  ASN  51          HD22      ASN  51  58.276 -13.020  -4.180
  396   2HD2  ASN  51          HD21      ASN  51  59.663 -13.415  -3.284
  397    HA   PRO  52           HA       PRO  52  61.084  -9.043   0.984
  398   1HB   PRO  52           HB2      PRO  52  60.318  -6.443   1.353
  399   2HB   PRO  52           HB1      PRO  52  61.991  -6.916   0.995
  400   1HG   PRO  52           HG2      PRO  52  59.912  -5.798  -0.815
  401   2HG   PRO  52           HG1      PRO  52  61.654  -5.488  -0.768
  402   1HD   PRO  52           HD2      PRO  52  60.448  -7.142  -2.583
  403   2HD   PRO  52           HD1      PRO  52  62.142  -7.302  -2.067
  404    H    THR  53           HN       THR  53  59.299  -8.547   2.625
  405    HA   THR  53           HA       THR  53  56.648  -9.146   1.399
  406    HB   THR  53           HB       THR  53  56.409  -9.399   4.127
  407    HG1  THR  53           HG1      THR  53  58.579 -10.656   4.339
  408   1HG2  THR  53          HG23      THR  53  57.488 -11.411   2.135
  409   2HG2  THR  53          HG22      THR  53  56.819 -11.817   3.716
  410   3HG2  THR  53          HG21      THR  53  55.788 -11.093   2.482
  411    HA   PRO  54           HA       PRO  54  54.896  -5.290   2.529
  412   1HB   PRO  54           HB2      PRO  54  52.478  -5.983   3.611
  413   2HB   PRO  54           HB1      PRO  54  52.836  -6.106   1.876
  414   1HG   PRO  54           HG2      PRO  54  52.794  -8.233   3.955
  415   2HG   PRO  54           HG1      PRO  54  52.263  -8.292   2.268
  416   1HD   PRO  54           HD2      PRO  54  54.633  -9.326   3.148
  417   2HD   PRO  54           HD1      PRO  54  54.362  -8.753   1.488
  418    H    GLU  55           HN       GLU  55  54.558  -7.706   5.151
  419    HA   GLU  55           HA       GLU  55  54.321  -5.726   7.259
  420   1HB   GLU  55           HB2      GLU  55  54.755  -8.685   7.001
  421   2HB   GLU  55           HB1      GLU  55  54.994  -7.924   8.575
  422   1HG   GLU  55           HG2      GLU  55  52.650  -6.784   7.917
  423   2HG   GLU  55           HG1      GLU  55  52.488  -8.286   7.007
  424    H    GLU  56           HN       GLU  56  57.003  -7.239   5.600
  425    HA   GLU  56           HA       GLU  56  58.981  -6.547   7.663
  426   1HB   GLU  56           HB2      GLU  56  58.840  -7.914   5.020
  427   2HB   GLU  56           HB1      GLU  56  60.403  -7.233   5.474
  428   1HG   GLU  56           HG2      GLU  56  60.550  -9.354   6.427
  429   2HG   GLU  56           HG1      GLU  56  59.916  -8.416   7.779
  430    H    LEU  57           HN       LEU  57  57.701  -5.160   4.702
  431    HA   LEU  57           HA       LEU  57  59.594  -3.406   3.765
  432   1HB   LEU  57           HB2      LEU  57  56.798  -3.680   3.745
  433   2HB   LEU  57           HB1      LEU  57  57.088  -2.015   4.250
  434    HG   LEU  57           HG       LEU  57  58.917  -2.598   2.149
  435   1HD1  LEU  57          HD12      LEU  57  56.485  -4.092   1.906
  436   2HD1  LEU  57          HD11      LEU  57  56.478  -2.814   0.690
  437   3HD1  LEU  57          HD13      LEU  57  57.811  -3.967   0.750
  438   1HD2  LEU  57          HD23      LEU  57  57.904  -0.397   2.787
  439   2HD2  LEU  57          HD22      LEU  57  57.767  -0.740   1.062
  440   3HD2  LEU  57          HD21      LEU  57  56.369  -0.949   2.116
  441    H    GLN  58           HN       GLN  58  57.374  -2.504   6.436
  442    HA   GLN  58           HA       GLN  58  59.022  -0.204   7.173
  443   1HB   GLN  58           HB2      GLN  58  56.547  -0.298   7.339
  444   2HB   GLN  58           HB1      GLN  58  56.686  -1.585   8.537
  445   1HG   GLN  58           HG2      GLN  58  56.364   0.741   9.499
  446   2HG   GLN  58           HG1      GLN  58  57.777  -0.125  10.101
  447   1HE2  GLN  58          HE22      GLN  58  59.851   2.546   9.150
  448   2HE2  GLN  58          HE21      GLN  58  59.450   1.372  10.308
  449    H    GLU  59           HN       GLU  59  58.950  -3.562   8.015
  450    HA   GLU  59           HA       GLU  59  60.115  -3.275  10.679
  451   1HB   GLU  59           HB2      GLU  59  58.746  -5.193   9.352
  452   2HB   GLU  59           HB1      GLU  59  60.390  -5.777   9.090
  453   1HG   GLU  59           HG2      GLU  59  60.771  -6.137  11.349
  454   2HG   GLU  59           HG1      GLU  59  59.607  -4.909  11.848
  455    H    MET  60           HN       MET  60  61.339  -3.794   7.394
  456    HA   MET  60           HA       MET  60  64.073  -4.364   8.238
  457   1HB   MET  60           HB2      MET  60  62.461  -4.484   5.913
  458   2HB   MET  60           HB1      MET  60  63.792  -3.392   5.531
  459   1HG   MET  60           HG2      MET  60  65.351  -5.159   6.508
  460   2HG   MET  60           HG1      MET  60  63.966  -6.250   6.509
  461   1HE   MET  60           HE2      MET  60  66.821  -5.438   5.309
  462   2HE   MET  60           HE1      MET  60  66.875  -6.649   4.031
  463   3HE   MET  60           HE3      MET  60  66.837  -4.929   3.622
  464    H    ILE  61           HN       ILE  61  62.395  -1.518   6.865
  465    HA   ILE  61           HA       ILE  61  64.672   0.209   6.743
  466    HB   ILE  61           HB       ILE  61  61.690   0.652   7.036
  467   1HG1  ILE  61          HG12      ILE  61  63.423   1.150   4.616
  468   2HG1  ILE  61          HG11      ILE  61  62.793  -0.462   4.960
  469   1HG2  ILE  61          HG23      ILE  61  63.159   2.590   7.839
  470   2HG2  ILE  61          HG22      ILE  61  63.723   2.718   6.173
  471   3HG2  ILE  61          HG21      ILE  61  62.017   2.964   6.548
  472   1HD1  ILE  61          HD11      ILE  61  60.506   0.840   5.244
  473   2HD1  ILE  61          HD13      ILE  61  61.308   2.035   4.224
  474   3HD1  ILE  61          HD12      ILE  61  61.082   0.387   3.640
  475    H    ASP  62           HN       ASP  62  62.079   0.026   9.217
  476    HA   ASP  62           HA       ASP  62  63.106   1.928  11.029
  477   1HB   ASP  62           HB2      ASP  62  60.933   0.371  10.874
  478   2HB   ASP  62           HB1      ASP  62  61.848  -0.588  12.038
  479    H    GLU  63           HN       GLU  63  64.299  -1.249  10.276
  480    HA   GLU  63           HA       GLU  63  65.831  -1.486  12.793
  481   1HB   GLU  63           HB2      GLU  63  64.918  -3.155  10.590
  482   2HB   GLU  63           HB1      GLU  63  66.618  -3.452  10.957
  483   1HG   GLU  63           HG2      GLU  63  65.533  -3.302  13.472
  484   2HG   GLU  63           HG1      GLU  63  64.220  -4.051  12.562
  485    H    VAL  64           HN       VAL  64  66.355  -0.565   9.426
  486    HA   VAL  64           HA       VAL  64  69.297  -0.513   9.816
  487    HB   VAL  64           HB       VAL  64  67.907  -1.340   7.754
  488   1HG1  VAL  64          HG12      VAL  64  67.958   1.662   7.323
  489   2HG1  VAL  64          HG11      VAL  64  67.587   0.479   6.067
  490   3HG1  VAL  64          HG13      VAL  64  66.524   0.643   7.464
  491   1HG2  VAL  64          HG21      VAL  64  70.360   0.417   7.686
  492   2HG2  VAL  64          HG23      VAL  64  70.266  -1.341   7.577
  493   3HG2  VAL  64          HG22      VAL  64  69.741  -0.343   6.221
  494    H    ASP  65           HN       ASP  65  66.586   1.720   9.197
  495    HA   ASP  65           HA       ASP  65  67.841   4.149   8.782
  496   1HB   ASP  65           HB2      ASP  65  65.343   3.155   9.732
  497   2HB   ASP  65           HB1      ASP  65  65.818   4.479  10.797
  498    H    GLU  66           HN       GLU  66  69.700   4.805   9.833
  499    HA   GLU  66           HA       GLU  66  70.447   4.087  12.500
  500   1HB   GLU  66           HB2      GLU  66  71.425   5.572  10.261
  501   2HB   GLU  66           HB1      GLU  66  71.603   6.582  11.697
  502   1HG   GLU  66           HG2      GLU  66  73.458   5.388  12.170
  503   2HG   GLU  66           HG1      GLU  66  72.386   4.040  12.549
  504    H    ASP  67           HN       ASP  67  68.802   6.970  11.194
  505    HA   ASP  67           HA       ASP  67  68.558   8.118  13.920
  506   1HB   ASP  67           HB2      ASP  67  67.610  10.030  12.615
  507   2HB   ASP  67           HB1      ASP  67  69.201   9.542  12.034
  508    H    GLY  68           HN       GLY  68  66.908   5.831  12.197
  509   1HA   GLY  68           HA2      GLY  68  64.671   5.089  12.160
  510   2HA   GLY  68           HA1      GLY  68  64.679   5.623  13.841
  511    H    SER  69           HN       SER  69  64.857   7.463  10.780
  512    HA   SER  69           HA       SER  69  62.865   9.373  11.827
  513   1HB   SER  69           HB2      SER  69  63.643  10.732  10.062
  514   2HB   SER  69           HB1      SER  69  65.066   9.782  10.480
  515    HG   SER  69           HG       SER  69  64.969   9.367   8.398
  516    H    GLY  70           HN       GLY  70  63.083   6.814   9.400
  517   1HA   GLY  70           HA2      GLY  70  60.891   5.647   8.949
  518   2HA   GLY  70           HA1      GLY  70  60.186   7.257   8.790
  519    H    THR  71           HN       THR  71  62.297   8.471   7.308
  520    HA   THR  71           HA       THR  71  61.725   7.318   4.647
  521    HB   THR  71           HB       THR  71  62.526   9.446   3.871
  522    HG1  THR  71           HG1      THR  71  63.626   9.684   6.472
  523   1HG2  THR  71          HG22      THR  71  61.103   9.706   6.530
  524   2HG2  THR  71          HG21      THR  71  61.319  11.045   5.403
  525   3HG2  THR  71          HG23      THR  71  60.368   9.639   4.927
  526    H    VAL  72           HN       VAL  72  63.423   6.704   3.173
  527    HA   VAL  72           HA       VAL  72  65.943   5.856   4.543
  528    HB   VAL  72           HB       VAL  72  64.914   4.961   1.845
  529   1HG1  VAL  72          HG11      VAL  72  67.004   4.180   3.751
  530   2HG1  VAL  72          HG13      VAL  72  66.016   2.826   3.200
  531   3HG1  VAL  72          HG12      VAL  72  66.866   3.833   2.028
  532   1HG2  VAL  72          HG21      VAL  72  64.003   4.125   4.604
  533   2HG2  VAL  72          HG23      VAL  72  63.014   4.552   3.207
  534   3HG2  VAL  72          HG22      VAL  72  63.897   3.025   3.229
  535    H    ASP  73           HN       ASP  73  67.975   6.216   3.418
  536    HA   ASP  73           HA       ASP  73  67.875   8.220   1.195
  537   1HB   ASP  73           HB2      ASP  73  69.591   9.513   2.379
  538   2HB   ASP  73           HB1      ASP  73  68.188   9.298   3.426
  539    H    PHE  74           HN       PHE  74  70.109   8.391   0.143
  540    HA   PHE  74           HA       PHE  74  71.047   6.025  -0.929
  541   1HB   PHE  74           HB2      PHE  74  71.656   8.575  -1.248
  542   2HB   PHE  74           HB1      PHE  74  72.996   8.181  -0.170
  543    HD1  PHE  74           HD1      PHE  74  74.512   6.213  -0.783
  544    HD2  PHE  74           HD2      PHE  74  71.715   7.965  -3.533
  545    HE1  PHE  74           HE1      PHE  74  75.735   5.187  -2.681
  546    HE2  PHE  74           HE2      PHE  74  72.938   6.939  -5.430
  547    HZ   PHE  74           HZ       PHE  74  74.948   5.551  -5.005
  548    H    ASP  75           HN       ASP  75  71.876   7.383   2.232
  549    HA   ASP  75           HA       ASP  75  74.055   5.531   2.771
  550   1HB   ASP  75           HB2      ASP  75  72.908   7.861   3.862
  551   2HB   ASP  75           HB1      ASP  75  72.711   6.622   5.103
  552    H    GLU  76           HN       GLU  76  70.744   5.793   4.139
  553    HA   GLU  76           HA       GLU  76  70.873   3.165   5.372
  554   1HB   GLU  76           HB2      GLU  76  68.526   4.983   4.736
  555   2HB   GLU  76           HB1      GLU  76  68.541   3.685   5.933
  556   1HG   GLU  76           HG2      GLU  76  70.074   4.839   7.329
  557   2HG   GLU  76           HG1      GLU  76  70.515   5.967   6.047
  558    H    PHE  77           HN       PHE  77  69.448   4.478   2.389
  559    HA   PHE  77           HA       PHE  77  67.861   2.333   1.532
  560   1HB   PHE  77           HB2      PHE  77  68.122   4.536   0.425
  561   2HB   PHE  77           HB1      PHE  77  69.751   4.084  -0.076
  562    HD1  PHE  77           HD2      PHE  77  66.242   2.757  -0.211
  563    HD2  PHE  77           HD1      PHE  77  70.037   3.140  -2.188
  564    HE1  PHE  77           HE2      PHE  77  65.315   1.622  -2.212
  565    HE2  PHE  77           HE1      PHE  77  69.110   2.006  -4.189
  566    HZ   PHE  77           HZ       PHE  77  66.749   1.247  -4.201
  567    H    LEU  78           HN       LEU  78  71.377   2.780   1.012
  568    HA   LEU  78           HA       LEU  78  71.734   0.254  -0.354
  569   1HB   LEU  78           HB2      LEU  78  73.425   2.402   0.878
  570   2HB   LEU  78           HB1      LEU  78  74.194   0.879   0.431
  571    HG   LEU  78           HG       LEU  78  72.382   2.252  -1.533
  572   1HD1  LEU  78          HD12      LEU  78  75.235   2.984  -0.852
  573   2HD1  LEU  78          HD11      LEU  78  74.537   3.314  -2.436
  574   3HD1  LEU  78          HD13      LEU  78  73.842   4.056  -0.994
  575   1HD2  LEU  78          HD21      LEU  78  74.785   0.410  -1.668
  576   2HD2  LEU  78          HD23      LEU  78  73.122   0.042  -2.129
  577   3HD2  LEU  78          HD22      LEU  78  74.075   1.171  -3.093
  578    H    VAL  79           HN       VAL  79  72.320   1.333   3.008
  579    HA   VAL  79           HA       VAL  79  73.446  -1.035   4.057
  580    HB   VAL  79           HB       VAL  79  71.474   0.896   5.328
  581   1HG1  VAL  79          HG13      VAL  79  71.941  -1.194   6.623
  582   2HG1  VAL  79          HG12      VAL  79  73.659  -0.796   6.579
  583   3HG1  VAL  79          HG11      VAL  79  72.531   0.259   7.431
  584   1HG2  VAL  79          HG21      VAL  79  73.797   1.597   4.120
  585   2HG2  VAL  79          HG23      VAL  79  73.181   2.412   5.557
  586   3HG2  VAL  79          HG22      VAL  79  74.410   1.156   5.713
  587    H    MET  80           HN       MET  80  70.092  -0.258   3.278
  588    HA   MET  80           HA       MET  80  68.920  -2.545   4.635
  589   1HB   MET  80           HB2      MET  80  68.134  -0.209   3.212
  590   2HB   MET  80           HB1      MET  80  67.394  -1.580   2.388
  591   1HG   MET  80           HG2      MET  80  67.197  -1.915   5.254
  592   2HG   MET  80           HG1      MET  80  66.516  -0.361   4.772
  593   1HE   MET  80           HE1      MET  80  65.203   0.078   3.037
  594   2HE   MET  80           HE3      MET  80  64.912  -1.067   1.721
  595   3HE   MET  80           HE2      MET  80  63.642  -0.727   2.895
  596    H    MET  81           HN       MET  81  70.259  -1.922   1.432
  597    HA   MET  81           HA       MET  81  69.274  -4.387   0.227
  598   1HB   MET  81           HB2      MET  81  71.244  -2.205  -0.444
  599   2HB   MET  81           HB1      MET  81  71.109  -3.633  -1.471
  600   1HG   MET  81           HG2      MET  81  68.486  -2.586  -0.796
  601   2HG   MET  81           HG1      MET  81  69.483  -1.351  -1.566
  602   1HE   MET  81           HE1      MET  81  67.394  -1.524  -3.251
  603   2HE   MET  81           HE3      MET  81  68.944  -0.977  -3.905
  604   3HE   MET  81           HE2      MET  81  67.942  -2.098  -4.824
  605    H    VAL  82           HN       VAL  82  72.562  -3.280   1.163
  606    HA   VAL  82           HA       VAL  82  73.990  -5.643   0.744
  607    HB   VAL  82           HB       VAL  82  75.146  -3.671   1.379
  608   1HG1  VAL  82          HG12      VAL  82  72.968  -3.493   3.351
  609   2HG1  VAL  82          HG11      VAL  82  74.542  -3.001   3.977
  610   3HG1  VAL  82          HG13      VAL  82  73.870  -2.205   2.554
  611   1HG2  VAL  82          HG23      VAL  82  75.115  -5.571   3.742
  612   2HG2  VAL  82          HG22      VAL  82  76.215  -5.617   2.363
  613   3HG2  VAL  82          HG21      VAL  82  76.307  -4.289   3.522
  614    H    ARG  83           HN       ARG  83  71.589  -4.978   3.184
  615    HA   ARG  83           HA       ARG  83  72.360  -7.174   4.960
  616   1HB   ARG  83           HB2      ARG  83  70.101  -5.203   4.682
  617   2HB   ARG  83           HB1      ARG  83  69.958  -6.546   5.818
  618   1HG   ARG  83           HG2      ARG  83  72.142  -5.854   6.830
  619   2HG   ARG  83           HG1      ARG  83  72.141  -4.443   5.772
  620   1HD   ARG  83           HD2      ARG  83  70.486  -3.382   6.970
  621   2HD   ARG  83           HD1      ARG  83  69.667  -4.904   7.376
  622    HE   ARG  83           HE       ARG  83  72.214  -4.009   8.677
  623   1HH1  ARG  83          HH21      ARG  83  72.153  -6.624   9.472
  624   2HH1  ARG  83          HH22      ARG  83  70.971  -6.754  10.731
  625   1HH2  ARG  83          HH11      ARG  83  69.411  -3.760   9.939
  626   2HH2  ARG  83          HH12      ARG  83  69.416  -5.133  10.995
  627    H    CYS  84           HN       CYS  84  69.607  -6.587   2.733
  628    HA   CYS  84           HA       CYS  84  68.556  -9.271   2.955
  629   1HB   CYS  84           HB2      CYS  84  67.337  -7.173   2.280
  630   2HB   CYS  84           HB1      CYS  84  68.223  -7.206   0.755
  631    HG   CYS  84           HG       CYS  84  66.628  -9.767   1.431
  632    H    MET  85           HN       MET  85  71.183  -7.896   1.188
  633    HA   MET  85           HA       MET  85  71.572 -10.487  -0.239
  634   1HB   MET  85           HB2      MET  85  71.887  -9.318  -2.343
  635   2HB   MET  85           HB1      MET  85  70.344  -8.798  -1.665
  636   1HG   MET  85           HG2      MET  85  71.058  -6.667  -1.722
  637   2HG   MET  85           HG1      MET  85  72.344  -7.088  -0.589
  638   1HE   MET  85           HE3      MET  85  73.148  -5.000  -1.708
  639   2HE   MET  85           HE2      MET  85  74.658  -5.878  -1.480
  640   3HE   MET  85           HE1      MET  85  74.350  -5.050  -3.005
  641    H    LYS  86           HN       LYS  86  72.973  -9.602   2.048
  642    HA   LYS  86           HA       LYS  86  75.319  -8.079   1.635
  643   1HB   LYS  86           HB2      LYS  86  74.352  -8.980   3.782
  644   2HB   LYS  86           HB1      LYS  86  74.977 -10.568   3.337
  645   1HG   LYS  86           HG2      LYS  86  77.231  -9.841   3.467
  646   2HG   LYS  86           HG1      LYS  86  76.768  -8.140   3.451
  647   1HD   LYS  86           HD2      LYS  86  75.497  -8.694   5.652
  648   2HD   LYS  86           HD1      LYS  86  76.513 -10.135   5.694
  649   1HE   LYS  86           HE2      LYS  86  78.454  -8.924   6.066
  650   2HE   LYS  86           HE1      LYS  86  77.847  -7.495   5.204
  651   1HZ   LYS  86           HZ2      LYS  86  76.080  -7.469   7.053
  652   2HZ   LYS  86           HZ1      LYS  86  77.176  -8.436   7.921
  653   3HZ   LYS  86           HZ3      LYS  86  77.632  -6.882   7.417
  654    H    ASP  87           HN       ASP  87  74.549 -11.361   0.651
  655    HA   ASP  87           HA       ASP  87  75.750 -12.873  -0.715
  656   1HB   ASP  87           HB2      ASP  87  76.657 -10.143  -1.310
  657   2HB   ASP  87           HB1      ASP  87  77.862 -11.370  -1.703
  658    H    ASP  88           HN       ASP  88  78.472 -10.800   0.281
  659    HA   ASP  88           HA       ASP  88  80.390 -11.308   1.567
  660   1HB   ASP  88           HB2      ASP  88  78.238 -11.947   3.024
  661   2HB   ASP  88           HB1      ASP  88  78.902 -13.570   2.834
  662    H    SER  89           HN       SER  89  81.593 -12.152  -0.248
  663    HA   SER  89           HA       SER  89  82.131 -15.048  -0.071
  664   1HB   SER  89           HB2      SER  89  80.404 -13.807  -2.058
  665   2HB   SER  89           HB1      SER  89  81.770 -14.616  -2.820
  666    HG   SER  89           HG       SER  89  79.663 -15.646  -1.325
   
  No H/Q in entry =         666
  Start of MODEL    7
    1   1H    MET   1           HT3      MET   1  79.705   1.627  16.390
    2   2H    MET   1           HT2      MET   1  78.204   1.521  17.176
    3   3H    MET   1           HT1      MET   1  79.644   1.439  18.074
    4    HA   MET   1           HA       MET   1  80.190  -0.687  17.211
    5   1HB   MET   1           HB2      MET   1  77.326  -0.203  18.042
    6   2HB   MET   1           HB1      MET   1  77.945  -1.839  17.810
    7   1HG   MET   1           HG2      MET   1  79.721  -1.425  19.452
    8   2HG   MET   1           HG1      MET   1  79.160   0.234  19.660
    9   1HE   MET   1           HE1      MET   1  79.664  -1.057  21.960
   10   2HE   MET   1           HE3      MET   1  78.365  -1.772  22.924
   11   3HE   MET   1           HE2      MET   1  79.253  -2.759  21.766
   12    H    ASP   2           HN       ASP   2  78.415  -2.560  16.123
   13    HA   ASP   2           HA       ASP   2  77.890  -3.416  13.974
   14   1HB   ASP   2           HB2      ASP   2  76.588  -0.686  14.138
   15   2HB   ASP   2           HB1      ASP   2  76.255  -1.815  12.823
   16    H    ASP   3           HN       ASP   3  80.361  -3.031  13.549
   17    HA   ASP   3           HA       ASP   3  80.877  -0.821  11.627
   18   1HB   ASP   3           HB2      ASP   3  82.372  -2.552  13.482
   19   2HB   ASP   3           HB1      ASP   3  83.192  -2.294  11.942
   20    H    ILE   4           HN       ILE   4  80.726  -4.359  11.788
   21    HA   ILE   4           HA       ILE   4  81.860  -5.154   9.377
   22    HB   ILE   4           HB       ILE   4  79.290  -6.029  10.731
   23   1HG1  ILE   4          HG12      ILE   4  82.153  -7.027  10.878
   24   2HG1  ILE   4          HG11      ILE   4  81.282  -6.173  12.153
   25   1HG2  ILE   4          HG22      ILE   4  80.864  -7.175   8.439
   26   2HG2  ILE   4          HG21      ILE   4  80.006  -8.255   9.539
   27   3HG2  ILE   4          HG23      ILE   4  79.115  -7.036   8.627
   28   1HD1  ILE   4          HD11      ILE   4  79.756  -8.457  11.219
   29   2HD1  ILE   4          HD13      ILE   4  81.364  -8.952  11.750
   30   3HD1  ILE   4          HD12      ILE   4  80.301  -8.076  12.852
   31    H    TYR   5           HN       TYR   5  78.379  -4.348   9.744
   32    HA   TYR   5           HA       TYR   5  77.693  -4.354   7.010
   33   1HB   TYR   5           HB2      TYR   5  76.715  -2.933   9.477
   34   2HB   TYR   5           HB1      TYR   5  75.951  -2.618   7.919
   35    HD1  TYR   5           HD1      TYR   5  76.771  -5.268  10.390
   36    HD2  TYR   5           HD2      TYR   5  74.525  -4.236   6.877
   37    HE1  TYR   5           HE1      TYR   5  75.479  -7.376  10.596
   38    HE2  TYR   5           HE2      TYR   5  73.234  -6.344   7.083
   39    HH   TYR   5           HH       TYR   5  73.319  -8.284   9.890
   40    H    LYS   6           HN       LYS   6  78.502  -1.458   8.978
   41    HA   LYS   6           HA       LYS   6  78.470   0.542   7.083
   42   1HB   LYS   6           HB2      LYS   6  79.759  -0.035   9.591
   43   2HB   LYS   6           HB1      LYS   6  80.887   0.840   8.554
   44   1HG   LYS   6           HG2      LYS   6  78.474   2.163   8.152
   45   2HG   LYS   6           HG1      LYS   6  78.465   1.799   9.878
   46   1HD   LYS   6           HD2      LYS   6  80.366   3.065  10.298
   47   2HD   LYS   6           HD1      LYS   6  80.972   2.888   8.651
   48   1HE   LYS   6           HE2      LYS   6  78.667   4.237   8.148
   49   2HE   LYS   6           HE1      LYS   6  79.072   4.886   9.749
   50   1HZ   LYS   6           HZ1      LYS   6  81.323   5.302   8.977
   51   2HZ   LYS   6           HZ3      LYS   6  80.940   4.690   7.443
   52   3HZ   LYS   6           HZ2      LYS   6  80.206   6.121   7.993
   53    H    ALA   7           HN       ALA   7  81.035  -1.899   7.489
   54    HA   ALA   7           HA       ALA   7  82.754  -0.771   5.428
   55   1HB   ALA   7           HB2      ALA   7  82.655  -3.024   7.310
   56   2HB   ALA   7           HB1      ALA   7  83.446  -3.428   5.787
   57   3HB   ALA   7           HB3      ALA   7  84.042  -2.085   6.761
   58    H    ALA   8           HN       ALA   8  80.191  -3.206   5.520
   59    HA   ALA   8           HA       ALA   8  80.655  -4.498   3.034
   60   1HB   ALA   8           HB1      ALA   8  78.729  -4.406   5.096
   61   2HB   ALA   8           HB3      ALA   8  77.845  -4.081   3.604
   62   3HB   ALA   8           HB2      ALA   8  78.797  -5.558   3.761
   63    H    VAL   9           HN       VAL   9  78.957  -1.459   3.777
   64    HA   VAL   9           HA       VAL   9  77.943  -1.027   1.103
   65    HB   VAL   9           HB       VAL   9  78.499   0.769   3.484
   66   1HG1  VAL   9          HG11      VAL   9  78.344   1.826   1.081
   67   2HG1  VAL   9          HG13      VAL   9  76.626   1.470   1.241
   68   3HG1  VAL   9          HG12      VAL   9  77.417   2.535   2.402
   69   1HG2  VAL   9          HG21      VAL   9  76.527  -1.197   2.939
   70   2HG2  VAL   9          HG23      VAL   9  76.560  -0.055   4.282
   71   3HG2  VAL   9          HG22      VAL   9  75.731   0.370   2.785
   72    H    GLU  10           HN       GLU  10  81.040  -0.547   2.614
   73    HA   GLU  10           HA       GLU  10  81.982   1.452   0.677
   74   1HB   GLU  10           HB2      GLU  10  82.659   0.517   3.235
   75   2HB   GLU  10           HB1      GLU  10  84.005   0.024   2.207
   76   1HG   GLU  10           HG2      GLU  10  83.188   2.706   1.521
   77   2HG   GLU  10           HG1      GLU  10  83.509   2.604   3.253
   78    H    GLN  11           HN       GLN  11  81.700  -1.976   0.761
   79    HA   GLN  11           HA       GLN  11  84.004  -2.574  -0.934
   80   1HB   GLN  11           HB2      GLN  11  81.508  -4.186  -0.317
   81   2HB   GLN  11           HB1      GLN  11  83.055  -4.819  -0.879
   82   1HG   GLN  11           HG2      GLN  11  83.005  -3.168   1.621
   83   2HG   GLN  11           HG1      GLN  11  82.452  -4.841   1.702
   84   1HE2  GLN  11          HE22      GLN  11  86.396  -4.099   1.557
   85   2HE2  GLN  11          HE21      GLN  11  85.239  -2.882   1.802
   86    H    LEU  12           HN       LEU  12  80.806  -1.396  -1.487
   87    HA   LEU  12           HA       LEU  12  80.361  -2.507  -4.121
   88   1HB   LEU  12           HB2      LEU  12  79.333   0.030  -2.804
   89   2HB   LEU  12           HB1      LEU  12  78.593  -0.795  -4.176
   90    HG   LEU  12           HG       LEU  12  79.040  -2.098  -1.477
   91   1HD1  LEU  12          HD12      LEU  12  76.759  -0.497  -2.592
   92   2HD1  LEU  12          HD11      LEU  12  76.414  -1.852  -1.517
   93   3HD1  LEU  12          HD13      LEU  12  77.414  -0.513  -0.955
   94   1HD2  LEU  12          HD21      LEU  12  77.532  -2.858  -3.993
   95   2HD2  LEU  12          HD23      LEU  12  78.866  -3.728  -3.235
   96   3HD2  LEU  12          HD22      LEU  12  77.289  -3.672  -2.446
   97    H    THR  13           HN       THR  13  81.214  -1.826  -6.063
   98    HA   THR  13           HA       THR  13  83.280   0.218  -6.126
   99    HB   THR  13           HB       THR  13  82.542  -0.407  -8.739
  100    HG1  THR  13           HG1      THR  13  81.153  -1.970  -8.394
  101   1HG2  THR  13          HG21      THR  13  84.524  -1.376  -6.744
  102   2HG2  THR  13          HG23      THR  13  84.321  -2.349  -8.200
  103   3HG2  THR  13          HG22      THR  13  84.787  -0.652  -8.331
  104    H    GLU  14           HN       GLU  14  83.179   2.168  -7.470
  105    HA   GLU  14           HA       GLU  14  80.992   3.872  -7.025
  106   1HB   GLU  14           HB2      GLU  14  82.067   5.253  -8.764
  107   2HB   GLU  14           HB1      GLU  14  83.283   4.513  -7.721
  108   1HG   GLU  14           HG2      GLU  14  82.904   2.600  -9.692
  109   2HG   GLU  14           HG1      GLU  14  82.800   4.119 -10.583
  110    H    GLU  15           HN       GLU  15  81.316   1.353  -9.409
  111    HA   GLU  15           HA       GLU  15  79.377   2.385 -11.308
  112   1HB   GLU  15           HB2      GLU  15  79.665   0.229 -12.324
  113   2HB   GLU  15           HB1      GLU  15  81.232   0.660 -11.640
  114   1HG   GLU  15           HG2      GLU  15  80.511  -0.621  -9.546
  115   2HG   GLU  15           HG1      GLU  15  79.182  -1.255 -10.517
  116    H    GLN  16           HN       GLN  16  79.194   0.335  -8.424
  117    HA   GLN  16           HA       GLN  16  76.416  -0.455  -8.878
  118   1HB   GLN  16           HB2      GLN  16  77.886  -0.483  -6.242
  119   2HB   GLN  16           HB1      GLN  16  76.706  -1.642  -6.853
  120   1HG   GLN  16           HG2      GLN  16  78.748  -1.688  -8.754
  121   2HG   GLN  16           HG1      GLN  16  79.597  -1.589  -7.212
  122   1HE2  GLN  16          HE22      GLN  16  78.307  -4.758  -6.045
  123   2HE2  GLN  16          HE21      GLN  16  78.768  -3.223  -5.488
  124    H    LYS  17           HN       LYS  17  77.870   1.431  -6.206
  125    HA   LYS  17           HA       LYS  17  75.535   2.566  -5.169
  126   1HB   LYS  17           HB2      LYS  17  77.165   4.458  -4.529
  127   2HB   LYS  17           HB1      LYS  17  77.607   2.826  -4.030
  128   1HG   LYS  17           HG2      LYS  17  78.627   3.193  -6.660
  129   2HG   LYS  17           HG1      LYS  17  79.063   4.626  -5.729
  130   1HD   LYS  17           HD2      LYS  17  79.504   1.799  -4.737
  131   2HD   LYS  17           HD1      LYS  17  80.739   2.743  -5.571
  132   1HE   LYS  17           HE2      LYS  17  81.278   3.711  -3.598
  133   2HE   LYS  17           HE1      LYS  17  79.647   4.405  -3.522
  134   1HZ   LYS  17           HZ2      LYS  17  78.913   2.118  -2.782
  135   2HZ   LYS  17           HZ1      LYS  17  80.556   1.769  -2.524
  136   3HZ   LYS  17           HZ3      LYS  17  79.807   3.016  -1.651
  137    H    ASN  18           HN       ASN  18  77.274   3.457  -8.096
  138    HA   ASN  18           HA       ASN  18  76.108   6.053  -8.496
  139   1HB   ASN  18           HB2      ASN  18  77.574   3.977 -10.042
  140   2HB   ASN  18           HB1      ASN  18  76.673   5.162 -10.989
  141   1HD2  ASN  18          HD22      ASN  18  79.599   7.161 -10.672
  142   2HD2  ASN  18          HD21      ASN  18  78.671   6.205 -11.725
  143    H    GLU  19           HN       GLU  19  75.164   2.809  -9.679
  144    HA   GLU  19           HA       GLU  19  72.911   3.657 -11.224
  145   1HB   GLU  19           HB2      GLU  19  73.564   1.076  -9.767
  146   2HB   GLU  19           HB1      GLU  19  72.289   1.237 -10.976
  147   1HG   GLU  19           HG2      GLU  19  73.927   1.895 -12.667
  148   2HG   GLU  19           HG1      GLU  19  75.218   1.845 -11.467
  149    H    PHE  20           HN       PHE  20  73.223   2.720  -7.801
  150    HA   PHE  20           HA       PHE  20  70.457   2.646  -7.134
  151   1HB   PHE  20           HB2      PHE  20  73.014   3.273  -5.651
  152   2HB   PHE  20           HB1      PHE  20  71.457   3.257  -4.823
  153    HD1  PHE  20           HD1      PHE  20  69.931   1.119  -5.610
  154    HD2  PHE  20           HD2      PHE  20  74.222   1.289  -5.525
  155    HE1  PHE  20           HE1      PHE  20  70.027  -1.355  -5.471
  156    HE2  PHE  20           HE2      PHE  20  74.317  -1.185  -5.385
  157    HZ   PHE  20           HZ       PHE  20  72.220  -2.507  -5.357
  158    H    LYS  21           HN       LYS  21  72.705   5.353  -7.476
  159    HA   LYS  21           HA       LYS  21  71.125   7.382  -6.220
  160   1HB   LYS  21           HB2      LYS  21  73.593   7.281  -7.106
  161   2HB   LYS  21           HB1      LYS  21  72.882   7.833  -8.624
  162   1HG   LYS  21           HG2      LYS  21  71.692   9.587  -7.002
  163   2HG   LYS  21           HG1      LYS  21  73.113   9.259  -6.008
  164   1HD   LYS  21           HD2      LYS  21  74.464   9.637  -8.194
  165   2HD   LYS  21           HD1      LYS  21  72.992  10.403  -8.794
  166   1HE   LYS  21           HE2      LYS  21  74.008  12.259  -7.836
  167   2HE   LYS  21           HE1      LYS  21  73.159  11.645  -6.403
  168   1HZ   LYS  21           HZ2      LYS  21  75.159  10.221  -6.004
  169   2HZ   LYS  21           HZ1      LYS  21  75.964  11.106  -7.211
  170   3HZ   LYS  21           HZ3      LYS  21  75.430  11.887  -5.803
  171    H    ALA  22           HN       ALA  22  71.318   6.323  -9.634
  172    HA   ALA  22           HA       ALA  22  69.421   8.192 -10.678
  173   1HB   ALA  22           HB1      ALA  22  70.776   5.684 -11.447
  174   2HB   ALA  22           HB3      ALA  22  69.237   5.953 -12.263
  175   3HB   ALA  22           HB2      ALA  22  70.523   7.153 -12.388
  176    H    ALA  23           HN       ALA  23  69.006   4.840  -9.495
  177    HA   ALA  23           HA       ALA  23  66.163   4.736  -9.965
  178   1HB   ALA  23           HB1      ALA  23  68.001   3.236  -8.070
  179   2HB   ALA  23           HB3      ALA  23  66.360   2.739  -8.481
  180   3HB   ALA  23           HB2      ALA  23  67.611   2.766  -9.724
  181    H    PHE  24           HN       PHE  24  68.160   5.687  -7.181
  182    HA   PHE  24           HA       PHE  24  66.248   5.856  -5.141
  183   1HB   PHE  24           HB2      PHE  24  68.650   6.296  -4.887
  184   2HB   PHE  24           HB1      PHE  24  68.506   7.749  -5.877
  185    HD1  PHE  24           HD2      PHE  24  67.041   9.655  -5.064
  186    HD2  PHE  24           HD1      PHE  24  68.132   6.334  -2.568
  187    HE1  PHE  24           HE2      PHE  24  66.433  10.969  -3.050
  188    HE2  PHE  24           HE1      PHE  24  67.524   7.647  -0.555
  189    HZ   PHE  24           HZ       PHE  24  66.674   9.964  -0.796
  190    H    ASP  25           HN       ASP  25  66.899   8.193  -7.759
  191    HA   ASP  25           HA       ASP  25  64.989  10.166  -6.845
  192   1HB   ASP  25           HB2      ASP  25  66.769   9.622  -9.127
  193   2HB   ASP  25           HB1      ASP  25  65.317  10.523  -9.564
  194    H    ILE  26           HN       ILE  26  64.630   7.118  -8.393
  195    HA   ILE  26           HA       ILE  26  62.157   7.758  -9.828
  196    HB   ILE  26           HB       ILE  26  63.579   5.185  -9.096
  197   1HG1  ILE  26          HG12      ILE  26  63.608   7.062 -11.458
  198   2HG1  ILE  26          HG11      ILE  26  64.974   6.377 -10.579
  199   1HG2  ILE  26          HG21      ILE  26  60.968   5.311  -9.721
  200   2HG2  ILE  26          HG23      ILE  26  61.640   5.354 -11.351
  201   3HG2  ILE  26          HG22      ILE  26  62.005   4.000 -10.281
  202   1HD1  ILE  26          HD12      ILE  26  63.057   4.795 -12.314
  203   2HD1  ILE  26          HD11      ILE  26  64.671   5.313 -12.805
  204   3HD1  ILE  26          HD13      ILE  26  64.479   4.156 -11.487
  205    H    PHE  27           HN       PHE  27  63.057   6.311  -6.709
  206    HA   PHE  27           HA       PHE  27  60.307   5.531  -6.060
  207   1HB   PHE  27           HB2      PHE  27  62.659   5.843  -4.188
  208   2HB   PHE  27           HB1      PHE  27  61.322   4.701  -4.070
  209    HD1  PHE  27           HD1      PHE  27  61.065   3.353  -6.514
  210    HD2  PHE  27           HD2      PHE  27  64.677   4.822  -4.713
  211    HE1  PHE  27           HE1      PHE  27  62.382   1.682  -7.791
  212    HE2  PHE  27           HE2      PHE  27  65.993   3.152  -5.990
  213    HZ   PHE  27           HZ       PHE  27  64.845   1.583  -7.528
  214    H    VAL  28           HN       VAL  28  62.500   8.221  -5.335
  215    HA   VAL  28           HA       VAL  28  60.631   9.448  -3.427
  216    HB   VAL  28           HB       VAL  28  62.435  11.063  -3.218
  217   1HG1  VAL  28          HG13      VAL  28  62.660   8.437  -2.602
  218   2HG1  VAL  28          HG12      VAL  28  64.051   8.619  -3.670
  219   3HG1  VAL  28          HG11      VAL  28  63.909   9.623  -2.227
  220   1HG2  VAL  28          HG22      VAL  28  63.403   9.788  -5.784
  221   2HG2  VAL  28          HG21      VAL  28  63.024  11.486  -5.496
  222   3HG2  VAL  28          HG23      VAL  28  64.455  10.764  -4.759
  223    H    LEU  29           HN       LEU  29  59.884   9.079  -6.369
  224    HA   LEU  29           HA       LEU  29  59.953  11.333  -7.962
  225   1HB   LEU  29           HB2      LEU  29  58.241   9.054  -7.506
  226   2HB   LEU  29           HB1      LEU  29  57.256  10.459  -7.912
  227    HG   LEU  29           HG       LEU  29  57.946   9.228  -9.944
  228   1HD1  LEU  29          HD13      LEU  29  58.611  12.031  -9.363
  229   2HD1  LEU  29          HD12      LEU  29  59.492  11.370 -10.742
  230   3HD1  LEU  29          HD11      LEU  29  57.728  11.344 -10.727
  231   1HD2  LEU  29          HD21      LEU  29  60.390   9.016  -8.552
  232   2HD2  LEU  29          HD23      LEU  29  60.042   8.435 -10.180
  233   3HD2  LEU  29          HD22      LEU  29  60.723  10.044  -9.946
  234    H    GLY  30           HN       GLY  30  60.060  13.297  -6.725
  235   1HA   GLY  30           HA2      GLY  30  59.173  15.174  -5.634
  236   2HA   GLY  30           HA1      GLY  30  57.604  14.632  -6.229
  237    H    ALA  31           HN       ALA  31  59.909  13.217  -3.881
  238    HA   ALA  31           HA       ALA  31  57.733  12.405  -2.115
  239   1HB   ALA  31           HB3      ALA  31  60.389  11.724  -2.611
  240   2HB   ALA  31           HB2      ALA  31  60.443  12.462  -1.010
  241   3HB   ALA  31           HB1      ALA  31  59.390  11.080  -1.307
  242    H    GLU  32           HN       GLU  32  58.668  12.995   0.419
  243    HA   GLU  32           HA       GLU  32  57.881  15.789   0.730
  244   1HB   GLU  32           HB2      GLU  32  58.930  13.702   2.671
  245   2HB   GLU  32           HB1      GLU  32  58.160  15.220   3.131
  246   1HG   GLU  32           HG2      GLU  32  56.081  14.552   2.068
  247   2HG   GLU  32           HG1      GLU  32  56.837  13.094   1.422
  248    H    ASP  33           HN       ASP  33  60.900  13.928   1.141
  249    HA   ASP  33           HA       ASP  33  62.397  16.523   1.088
  250   1HB   ASP  33           HB2      ASP  33  63.805  15.640   2.902
  251   2HB   ASP  33           HB1      ASP  33  62.113  15.644   3.401
  252    H    GLY  34           HN       GLY  34  61.849  14.203  -0.866
  253   1HA   GLY  34           HA2      GLY  34  63.109  13.220  -2.593
  254   2HA   GLY  34           HA1      GLY  34  64.518  14.089  -1.980
  255    H    CYS  35           HN       CYS  35  62.478  11.803  -0.193
  256    HA   CYS  35           HA       CYS  35  64.880  10.022   0.073
  257   1HB   CYS  35           HB2      CYS  35  63.173  11.390   1.974
  258   2HB   CYS  35           HB1      CYS  35  63.108   9.648   2.241
  259    HG   CYS  35           HG       CYS  35  65.672  11.395   2.466
  260    H    ILE  36           HN       ILE  36  64.315   7.710   0.411
  261    HA   ILE  36           HA       ILE  36  61.936   6.944  -1.201
  262    HB   ILE  36           HB       ILE  36  63.921   4.982  -0.099
  263   1HG1  ILE  36          HG12      ILE  36  64.535   7.054  -2.233
  264   2HG1  ILE  36          HG11      ILE  36  65.427   6.765  -0.740
  265   1HG2  ILE  36          HG22      ILE  36  61.946   5.124  -2.178
  266   2HG2  ILE  36          HG21      ILE  36  63.519   4.816  -2.913
  267   3HG2  ILE  36          HG23      ILE  36  62.901   3.732  -1.665
  268   1HD1  ILE  36          HD12      ILE  36  65.290   4.278  -2.095
  269   2HD1  ILE  36          HD11      ILE  36  65.754   5.484  -3.295
  270   3HD1  ILE  36          HD13      ILE  36  66.716   5.282  -1.831
  271    H    SER  37           HN       SER  37  60.225   7.189   0.327
  272    HA   SER  37           HA       SER  37  60.336   6.252   3.047
  273   1HB   SER  37           HB2      SER  37  58.613   7.666   1.320
  274   2HB   SER  37           HB1      SER  37  57.684   6.277   1.877
  275    HG   SER  37           HG       SER  37  57.666   7.084   3.825
  276    H    THR  38           HN       THR  38  58.766   4.493   3.831
  277    HA   THR  38           HA       THR  38  59.396   1.980   2.504
  278    HB   THR  38           HB       THR  38  59.227   2.361   4.970
  279    HG1  THR  38           HG1      THR  38  58.759   0.334   5.049
  280   1HG2  THR  38          HG23      THR  38  56.374   2.898   4.185
  281   2HG2  THR  38          HG22      THR  38  56.769   2.324   5.804
  282   3HG2  THR  38          HG21      THR  38  57.430   3.853   5.224
  283    H    LYS  39           HN       LYS  39  56.890   4.295   2.170
  284    HA   LYS  39           HA       LYS  39  54.662   2.611   1.519
  285   1HB   LYS  39           HB2      LYS  39  55.544   5.434   1.051
  286   2HB   LYS  39           HB1      LYS  39  54.158   4.837   0.137
  287   1HG   LYS  39           HG2      LYS  39  53.638   3.925   2.696
  288   2HG   LYS  39           HG1      LYS  39  54.361   5.509   2.985
  289   1HD   LYS  39           HD2      LYS  39  52.133   6.101   2.688
  290   2HD   LYS  39           HD1      LYS  39  52.738   6.258   1.037
  291   1HE   LYS  39           HE2      LYS  39  51.321   4.642   0.326
  292   2HE   LYS  39           HE1      LYS  39  51.943   3.516   1.549
  293   1HZ   LYS  39           HZ2      LYS  39  49.990   5.697   2.070
  294   2HZ   LYS  39           HZ1      LYS  39  49.593   4.051   1.923
  295   3HZ   LYS  39           HZ3      LYS  39  50.567   4.576   3.208
  296    H    GLU  40           HN       GLU  40  57.479   3.656  -0.313
  297    HA   GLU  40           HA       GLU  40  56.340   2.424  -2.792
  298   1HB   GLU  40           HB2      GLU  40  58.146   4.652  -2.104
  299   2HB   GLU  40           HB1      GLU  40  58.705   3.670  -3.459
  300   1HG   GLU  40           HG2      GLU  40  57.311   4.984  -4.689
  301   2HG   GLU  40           HG1      GLU  40  56.050   3.923  -4.060
  302    H    LEU  41           HN       LEU  41  58.818   2.082  -0.355
  303    HA   LEU  41           HA       LEU  41  60.858   0.623  -1.491
  304   1HB   LEU  41           HB2      LEU  41  60.271   1.204   0.965
  305   2HB   LEU  41           HB1      LEU  41  59.413  -0.338   0.980
  306    HG   LEU  41           HG       LEU  41  61.775  -0.523   1.793
  307   1HD1  LEU  41          HD11      LEU  41  60.372  -2.259   0.273
  308   2HD1  LEU  41          HD13      LEU  41  61.765  -2.016  -0.781
  309   3HD1  LEU  41          HD12      LEU  41  61.996  -2.610   0.864
  310   1HD2  LEU  41          HD22      LEU  41  62.411   1.245  -0.125
  311   2HD2  LEU  41          HD21      LEU  41  63.584   0.083   0.492
  312   3HD2  LEU  41          HD23      LEU  41  62.735  -0.239  -1.021
  313    H    GLY  42           HN       GLY  42  57.777  -0.852  -0.376
  314   1HA   GLY  42           HA2      GLY  42  58.162  -3.478  -1.154
  315   2HA   GLY  42           HA1      GLY  42  56.597  -2.675  -1.306
  316    H    LYS  43           HN       LYS  43  56.686  -1.017  -3.316
  317    HA   LYS  43           HA       LYS  43  56.845  -2.611  -5.683
  318   1HB   LYS  43           HB2      LYS  43  56.809   0.382  -5.184
  319   2HB   LYS  43           HB1      LYS  43  56.582  -0.346  -6.773
  320   1HG   LYS  43           HG2      LYS  43  54.792  -1.785  -5.314
  321   2HG   LYS  43           HG1      LYS  43  54.730  -0.239  -4.467
  322   1HD   LYS  43           HD2      LYS  43  54.663  -0.211  -7.457
  323   2HD   LYS  43           HD1      LYS  43  53.200  -0.691  -6.596
  324   1HE   LYS  43           HE2      LYS  43  54.690   1.816  -5.808
  325   2HE   LYS  43           HE1      LYS  43  53.489   1.836  -7.114
  326   1HZ   LYS  43           HZ3      LYS  43  52.769   0.409  -4.674
  327   2HZ   LYS  43           HZ2      LYS  43  52.808   2.105  -4.574
  328   3HZ   LYS  43           HZ1      LYS  43  51.800   1.341  -5.708
  329    H    VAL  44           HN       VAL  44  59.140  -0.347  -4.186
  330    HA   VAL  44           HA       VAL  44  61.024  -0.176  -6.320
  331    HB   VAL  44           HB       VAL  44  61.275  -0.059  -3.300
  332   1HG1  VAL  44          HG11      VAL  44  63.271   0.534  -5.493
  333   2HG1  VAL  44          HG13      VAL  44  63.403   1.253  -3.889
  334   3HG1  VAL  44          HG12      VAL  44  63.482  -0.499  -4.079
  335   1HG2  VAL  44          HG21      VAL  44  60.519   1.816  -5.466
  336   2HG2  VAL  44          HG23      VAL  44  60.081   1.834  -3.759
  337   3HG2  VAL  44          HG22      VAL  44  61.645   2.463  -4.272
  338    H    MET  45           HN       MET  45  60.924  -2.401  -3.507
  339    HA   MET  45           HA       MET  45  63.245  -3.909  -4.092
  340   1HB   MET  45           HB2      MET  45  60.647  -4.319  -2.666
  341   2HB   MET  45           HB1      MET  45  61.662  -5.737  -2.941
  342   1HG   MET  45           HG2      MET  45  62.881  -3.225  -1.826
  343   2HG   MET  45           HG1      MET  45  62.007  -4.324  -0.759
  344   1HE   MET  45           HE2      MET  45  64.360  -3.869   0.239
  345   2HE   MET  45           HE1      MET  45  65.728  -4.951  -0.006
  346   3HE   MET  45           HE3      MET  45  65.503  -3.551  -1.064
  347    H    ARG  46           HN       ARG  46  59.947  -4.178  -5.371
  348    HA   ARG  46           HA       ARG  46  60.341  -6.649  -6.809
  349   1HB   ARG  46           HB2      ARG  46  58.420  -4.329  -6.852
  350   2HB   ARG  46           HB1      ARG  46  58.307  -5.584  -8.087
  351   1HG   ARG  46           HG2      ARG  46  58.228  -7.292  -6.239
  352   2HG   ARG  46           HG1      ARG  46  58.131  -5.960  -5.085
  353   1HD   ARG  46           HD2      ARG  46  56.175  -5.355  -7.004
  354   2HD   ARG  46           HD1      ARG  46  56.017  -7.101  -6.727
  355    HE   ARG  46           HE       ARG  46  56.398  -5.740  -4.221
  356   1HH1  ARG  46          HH21      ARG  46  54.127  -5.782  -6.787
  357   2HH1  ARG  46          HH22      ARG  46  52.741  -5.848  -5.750
  358   1HH2  ARG  46          HH11      ARG  46  54.605  -6.059  -2.834
  359   2HH2  ARG  46          HH12      ARG  46  53.012  -6.007  -3.510
  360    H    MET  47           HN       MET  47  60.640  -3.212  -7.707
  361    HA   MET  47           HA       MET  47  61.110  -3.475 -10.479
  362   1HB   MET  47           HB2      MET  47  61.813  -1.588  -8.278
  363   2HB   MET  47           HB1      MET  47  62.680  -1.393  -9.802
  364   1HG   MET  47           HG2      MET  47  59.823  -1.818 -10.215
  365   2HG   MET  47           HG1      MET  47  60.144  -0.394  -9.226
  366   1HE   MET  47           HE3      MET  47  62.063   1.131  -9.675
  367   2HE   MET  47           HE2      MET  47  63.271   0.207 -10.566
  368   3HE   MET  47           HE1      MET  47  62.595   1.672 -11.273
  369    H    LEU  48           HN       LEU  48  63.586  -3.265  -7.893
  370    HA   LEU  48           HA       LEU  48  65.845  -3.852  -9.508
  371   1HB   LEU  48           HB2      LEU  48  65.330  -4.589  -6.609
  372   2HB   LEU  48           HB1      LEU  48  66.903  -4.306  -7.356
  373    HG   LEU  48           HG       LEU  48  65.031  -2.086  -7.762
  374   1HD1  LEU  48          HD11      LEU  48  64.919  -3.280  -5.233
  375   2HD1  LEU  48          HD13      LEU  48  66.033  -1.927  -5.033
  376   3HD1  LEU  48          HD12      LEU  48  64.401  -1.644  -5.641
  377   1HD2  LEU  48          HD21      LEU  48  67.874  -2.615  -7.215
  378   2HD2  LEU  48          HD23      LEU  48  67.135  -1.331  -8.173
  379   3HD2  LEU  48          HD22      LEU  48  67.259  -1.165  -6.421
  380    H    GLY  49           HN       GLY  49  64.096  -6.109  -7.336
  381   1HA   GLY  49           HA2      GLY  49  63.570  -8.251  -8.904
  382   2HA   GLY  49           HA1      GLY  49  65.318  -8.403  -8.721
  383    H    GLN  50           HN       GLN  50  63.064  -7.204  -6.255
  384    HA   GLN  50           HA       GLN  50  63.835  -9.562  -4.565
  385   1HB   GLN  50           HB2      GLN  50  63.458  -6.622  -4.064
  386   2HB   GLN  50           HB1      GLN  50  63.233  -7.761  -2.735
  387   1HG   GLN  50           HG2      GLN  50  65.475  -7.655  -2.460
  388   2HG   GLN  50           HG1      GLN  50  65.582  -8.636  -3.923
  389   1HE2  GLN  50          HE22      GLN  50  67.650  -5.721  -4.727
  390   2HE2  GLN  50          HE21      GLN  50  67.745  -7.143  -3.804
  391    H    ASN  51           HN       ASN  51  62.103  -9.852  -2.731
  392    HA   ASN  51           HA       ASN  51  59.343  -9.201  -3.606
  393   1HB   ASN  51           HB2      ASN  51  58.766 -11.633  -3.567
  394   2HB   ASN  51           HB1      ASN  51  59.944 -11.243  -4.819
  395   1HD2  ASN  51          HD22      ASN  51  61.351 -14.195  -3.124
  396   2HD2  ASN  51          HD21      ASN  51  60.066 -13.842  -4.177
  397    HA   PRO  52           HA       PRO  52  60.221  -9.626   1.001
  398   1HB   PRO  52           HB2      PRO  52  60.006  -6.981   1.665
  399   2HB   PRO  52           HB1      PRO  52  61.543  -7.735   1.197
  400   1HG   PRO  52           HG2      PRO  52  59.708  -6.028  -0.401
  401   2HG   PRO  52           HG1      PRO  52  61.477  -6.092  -0.398
  402   1HD   PRO  52           HD2      PRO  52  59.904  -7.255  -2.317
  403   2HD   PRO  52           HD1      PRO  52  61.545  -7.801  -1.907
  404    H    THR  53           HN       THR  53  58.615  -8.910   2.759
  405    HA   THR  53           HA       THR  53  55.871  -8.905   1.607
  406    HB   THR  53           HB       THR  53  55.593  -9.251   4.288
  407    HG1  THR  53           HG1      THR  53  57.487 -10.697   4.710
  408   1HG2  THR  53          HG22      THR  53  54.869 -10.781   2.461
  409   2HG2  THR  53          HG21      THR  53  56.519 -11.395   2.357
  410   3HG2  THR  53          HG23      THR  53  55.576 -11.646   3.825
  411    HA   PRO  54           HA       PRO  54  54.921  -4.845   2.970
  412   1HB   PRO  54           HB2      PRO  54  52.476  -5.116   4.169
  413   2HB   PRO  54           HB1      PRO  54  52.708  -5.242   2.413
  414   1HG   PRO  54           HG2      PRO  54  52.375  -7.396   4.436
  415   2HG   PRO  54           HG1      PRO  54  51.756  -7.294   2.781
  416   1HD   PRO  54           HD2      PRO  54  53.934  -8.782   3.501
  417   2HD   PRO  54           HD1      PRO  54  53.685  -8.117   1.872
  418    H    GLU  55           HN       GLU  55  54.476  -7.341   5.461
  419    HA   GLU  55           HA       GLU  55  54.555  -5.529   7.721
  420   1HB   GLU  55           HB2      GLU  55  54.800  -8.480   7.207
  421   2HB   GLU  55           HB1      GLU  55  55.184  -7.853   8.811
  422   1HG   GLU  55           HG2      GLU  55  52.830  -6.554   8.263
  423   2HG   GLU  55           HG1      GLU  55  52.570  -8.109   7.472
  424    H    GLU  56           HN       GLU  56  56.994  -7.743   6.300
  425    HA   GLU  56           HA       GLU  56  59.154  -6.993   8.012
  426   1HB   GLU  56           HB2      GLU  56  58.677  -8.429   5.483
  427   2HB   GLU  56           HB1      GLU  56  60.289  -7.722   5.606
  428   1HG   GLU  56           HG2      GLU  56  59.054  -9.397   7.804
  429   2HG   GLU  56           HG1      GLU  56  60.074 -10.076   6.536
  430    H    LEU  57           HN       LEU  57  57.914  -5.580   5.009
  431    HA   LEU  57           HA       LEU  57  59.947  -3.913   4.150
  432   1HB   LEU  57           HB2      LEU  57  57.327  -4.212   3.616
  433   2HB   LEU  57           HB1      LEU  57  57.246  -2.700   4.522
  434    HG   LEU  57           HG       LEU  57  59.439  -2.378   2.811
  435   1HD1  LEU  57          HD11      LEU  57  57.650  -4.337   1.721
  436   2HD1  LEU  57          HD13      LEU  57  57.518  -2.861   0.763
  437   3HD1  LEU  57          HD12      LEU  57  59.088  -3.634   0.980
  438   1HD2  LEU  57          HD22      LEU  57  57.006  -1.111   3.465
  439   2HD2  LEU  57          HD21      LEU  57  58.326  -0.438   2.507
  440   3HD2  LEU  57          HD23      LEU  57  56.994  -1.276   1.709
  441    H    GLN  58           HN       GLN  58  57.477  -2.767   6.486
  442    HA   GLN  58           HA       GLN  58  58.893  -0.449   7.321
  443   1HB   GLN  58           HB2      GLN  58  56.443  -1.354   7.682
  444   2HB   GLN  58           HB1      GLN  58  57.123  -2.048   9.155
  445   1HG   GLN  58           HG2      GLN  58  56.981   0.866   8.364
  446   2HG   GLN  58           HG1      GLN  58  56.302   0.094   9.795
  447   1HE2  GLN  58          HE22      GLN  58  60.064   1.500   9.934
  448   2HE2  GLN  58          HE21      GLN  58  59.011   1.820   8.642
  449    H    GLU  59           HN       GLU  59  58.792  -3.721   8.766
  450    HA   GLU  59           HA       GLU  59  60.521  -3.163  10.976
  451   1HB   GLU  59           HB2      GLU  59  59.484  -5.524   9.476
  452   2HB   GLU  59           HB1      GLU  59  60.866  -5.797  10.538
  453   1HG   GLU  59           HG2      GLU  59  59.674  -4.984  12.450
  454   2HG   GLU  59           HG1      GLU  59  58.368  -4.352  11.447
  455    H    MET  60           HN       MET  60  61.171  -3.655   7.593
  456    HA   MET  60           HA       MET  60  63.977  -4.432   7.957
  457   1HB   MET  60           HB2      MET  60  62.208  -4.883   6.035
  458   2HB   MET  60           HB1      MET  60  62.808  -3.343   5.417
  459   1HG   MET  60           HG2      MET  60  64.479  -4.545   4.477
  460   2HG   MET  60           HG1      MET  60  65.132  -4.684   6.109
  461   1HE   MET  60           HE1      MET  60  64.588  -6.253   7.722
  462   2HE   MET  60           HE3      MET  60  64.327  -7.979   7.433
  463   3HE   MET  60           HE2      MET  60  65.822  -7.210   6.906
  464    H    ILE  61           HN       ILE  61  62.257  -1.508   6.796
  465    HA   ILE  61           HA       ILE  61  64.659   0.075   6.503
  466    HB   ILE  61           HB       ILE  61  61.701   0.688   6.751
  467   1HG1  ILE  61          HG12      ILE  61  63.557   0.838   4.358
  468   2HG1  ILE  61          HG11      ILE  61  62.600  -0.592   4.748
  469   1HG2  ILE  61          HG21      ILE  61  64.048   2.518   6.183
  470   2HG2  ILE  61          HG23      ILE  61  62.382   2.932   5.777
  471   3HG2  ILE  61          HG22      ILE  61  62.842   2.682   7.460
  472   1HD1  ILE  61          HD13      ILE  61  60.570   0.990   4.787
  473   2HD1  ILE  61          HD12      ILE  61  61.619   2.160   3.986
  474   3HD1  ILE  61          HD11      ILE  61  61.262   0.619   3.208
  475    H    ASP  62           HN       ASP  62  62.568  -0.688   9.201
  476    HA   ASP  62           HA       ASP  62  63.449   1.562  10.860
  477   1HB   ASP  62           HB2      ASP  62  61.217   0.508  11.027
  478   2HB   ASP  62           HB1      ASP  62  61.975  -1.019  11.481
  479    H    GLU  63           HN       GLU  63  65.180  -0.940   9.751
  480    HA   GLU  63           HA       GLU  63  66.490  -1.567  12.368
  481   1HB   GLU  63           HB2      GLU  63  65.737  -3.036   9.989
  482   2HB   GLU  63           HB1      GLU  63  67.468  -3.205  10.286
  483   1HG   GLU  63           HG2      GLU  63  66.872  -3.722  12.710
  484   2HG   GLU  63           HG1      GLU  63  65.196  -3.854  12.174
  485    H    VAL  64           HN       VAL  64  67.035  -0.215   9.149
  486    HA   VAL  64           HA       VAL  64  69.933   0.121   9.790
  487    HB   VAL  64           HB       VAL  64  68.940  -0.958   7.640
  488   1HG1  VAL  64          HG13      VAL  64  68.563   1.994   7.049
  489   2HG1  VAL  64          HG12      VAL  64  68.471   0.704   5.849
  490   3HG1  VAL  64          HG11      VAL  64  67.286   0.781   7.154
  491   1HG2  VAL  64          HG22      VAL  64  71.216   0.805   8.090
  492   2HG2  VAL  64          HG21      VAL  64  71.134  -0.706   7.185
  493   3HG2  VAL  64          HG23      VAL  64  70.711   0.816   6.400
  494    H    ASP  65           HN       ASP  65  66.994   1.948   8.982
  495    HA   ASP  65           HA       ASP  65  67.894   4.502   8.456
  496   1HB   ASP  65           HB2      ASP  65  65.545   3.293   9.261
  497   2HB   ASP  65           HB1      ASP  65  65.869   4.406  10.589
  498    H    GLU  66           HN       GLU  66  69.842   5.155   9.439
  499    HA   GLU  66           HA       GLU  66  70.288   4.878  12.315
  500   1HB   GLU  66           HB2      GLU  66  71.685   6.105   9.945
  501   2HB   GLU  66           HB1      GLU  66  72.281   6.408  11.578
  502   1HG   GLU  66           HG2      GLU  66  72.176   3.843  11.885
  503   2HG   GLU  66           HG1      GLU  66  72.057   3.772  10.127
  504    H    ASP  67           HN       ASP  67  68.283   6.897  10.639
  505    HA   ASP  67           HA       ASP  67  68.695   9.136  12.597
  506   1HB   ASP  67           HB2      ASP  67  68.022  10.640  10.802
  507   2HB   ASP  67           HB1      ASP  67  69.317   9.602  10.204
  508    H    GLY  68           HN       GLY  68  66.700   6.615  11.840
  509   1HA   GLY  68           HA2      GLY  68  64.399   6.189  12.131
  510   2HA   GLY  68           HA1      GLY  68  64.588   7.257  13.523
  511    H    SER  69           HN       SER  69  64.960   8.155  10.113
  512    HA   SER  69           HA       SER  69  63.186  10.447  10.463
  513   1HB   SER  69           HB2      SER  69  63.686  10.465   7.873
  514   2HB   SER  69           HB1      SER  69  64.985  10.803   9.014
  515    HG   SER  69           HG       SER  69  64.363   8.274   7.874
  516    H    GLY  70           HN       GLY  70  62.950   7.232   9.002
  517   1HA   GLY  70           HA2      GLY  70  60.651   6.231   9.002
  518   2HA   GLY  70           HA1      GLY  70  60.065   7.798   8.444
  519    H    THR  71           HN       THR  71  62.482   8.082   6.670
  520    HA   THR  71           HA       THR  71  61.550   6.234   4.497
  521    HB   THR  71           HB       THR  71  62.349   8.112   3.020
  522    HG1  THR  71           HG1      THR  71  63.731   9.290   4.126
  523   1HG2  THR  71          HG23      THR  71  60.051   7.999   4.709
  524   2HG2  THR  71          HG22      THR  71  60.551   9.685   4.583
  525   3HG2  THR  71          HG21      THR  71  60.202   8.758   3.124
  526    H    VAL  72           HN       VAL  72  63.305   5.702   2.885
  527    HA   VAL  72           HA       VAL  72  65.852   5.129   4.316
  528    HB   VAL  72           HB       VAL  72  65.007   4.172   1.576
  529   1HG1  VAL  72          HG11      VAL  72  66.718   3.057   3.815
  530   2HG1  VAL  72          HG13      VAL  72  66.287   2.149   2.366
  531   3HG1  VAL  72          HG12      VAL  72  67.267   3.608   2.232
  532   1HG2  VAL  72          HG21      VAL  72  63.924   3.420   4.268
  533   2HG2  VAL  72          HG23      VAL  72  63.095   3.505   2.714
  534   3HG2  VAL  72          HG22      VAL  72  64.157   2.144   3.072
  535    H    ASP  73           HN       ASP  73  67.466   6.616   3.995
  536    HA   ASP  73           HA       ASP  73  67.423   8.384   1.629
  537   1HB   ASP  73           HB2      ASP  73  67.939   8.959   4.105
  538   2HB   ASP  73           HB1      ASP  73  69.517   8.231   3.801
  539    H    PHE  74           HN       PHE  74  69.426   8.627   0.315
  540    HA   PHE  74           HA       PHE  74  70.329   6.370  -0.996
  541   1HB   PHE  74           HB2      PHE  74  70.759   8.761  -1.569
  542   2HB   PHE  74           HB1      PHE  74  71.964   8.827  -0.282
  543    HD1  PHE  74           HD1      PHE  74  73.878   7.073  -0.366
  544    HD2  PHE  74           HD2      PHE  74  71.372   8.039  -3.718
  545    HE1  PHE  74           HE1      PHE  74  75.578   6.134  -1.908
  546    HE2  PHE  74           HE2      PHE  74  73.072   7.100  -5.260
  547    HZ   PHE  74           HZ       PHE  74  75.175   6.148  -4.354
  548    H    ASP  75           HN       ASP  75  72.298   7.977   1.540
  549    HA   ASP  75           HA       ASP  75  74.231   5.960   1.863
  550   1HB   ASP  75           HB2      ASP  75  74.746   7.121   3.880
  551   2HB   ASP  75           HB1      ASP  75  74.026   8.342   2.832
  552    H    GLU  76           HN       GLU  76  71.075   6.293   3.507
  553    HA   GLU  76           HA       GLU  76  71.396   3.952   5.177
  554   1HB   GLU  76           HB2      GLU  76  69.122   5.712   4.258
  555   2HB   GLU  76           HB1      GLU  76  68.821   4.303   5.275
  556   1HG   GLU  76           HG2      GLU  76  70.236   5.162   7.022
  557   2HG   GLU  76           HG1      GLU  76  70.820   6.463   5.984
  558    H    PHE  77           HN       PHE  77  69.426   4.527   2.237
  559    HA   PHE  77           HA       PHE  77  68.320   2.041   1.784
  560   1HB   PHE  77           HB2      PHE  77  68.041   4.029   0.365
  561   2HB   PHE  77           HB1      PHE  77  69.707   3.880  -0.193
  562    HD1  PHE  77           HD2      PHE  77  70.397   1.942  -1.592
  563    HD2  PHE  77           HD1      PHE  77  66.297   2.614  -0.505
  564    HE1  PHE  77           HE2      PHE  77  69.669   0.371  -3.367
  565    HE2  PHE  77           HE1      PHE  77  65.568   1.045  -2.280
  566    HZ   PHE  77           HZ       PHE  77  67.254  -0.077  -3.712
  567    H    LEU  78           HN       LEU  78  71.630   2.999   0.772
  568    HA   LEU  78           HA       LEU  78  72.496   0.646  -0.440
  569   1HB   LEU  78           HB2      LEU  78  73.700   2.850   1.146
  570   2HB   LEU  78           HB1      LEU  78  74.704   1.415   0.939
  571    HG   LEU  78           HG       LEU  78  73.417   3.046  -1.268
  572   1HD1  LEU  78          HD11      LEU  78  76.169   2.798  -0.121
  573   2HD1  LEU  78          HD13      LEU  78  76.015   3.040  -1.860
  574   3HD1  LEU  78          HD12      LEU  78  75.339   4.224  -0.742
  575   1HD2  LEU  78          HD23      LEU  78  74.443   0.291  -1.168
  576   2HD2  LEU  78          HD22      LEU  78  73.441   1.070  -2.392
  577   3HD2  LEU  78          HD21      LEU  78  75.193   1.272  -2.427
  578    H    VAL  79           HN       VAL  79  73.217   1.354   3.001
  579    HA   VAL  79           HA       VAL  79  74.048  -1.184   3.803
  580    HB   VAL  79           HB       VAL  79  72.311   0.812   5.299
  581   1HG1  VAL  79          HG13      VAL  79  72.740  -1.611   6.221
  582   2HG1  VAL  79          HG12      VAL  79  74.364  -1.002   6.541
  583   3HG1  VAL  79          HG11      VAL  79  72.968  -0.226   7.290
  584   1HG2  VAL  79          HG22      VAL  79  74.695   1.348   4.139
  585   2HG2  VAL  79          HG21      VAL  79  74.201   2.066   5.672
  586   3HG2  VAL  79          HG23      VAL  79  75.263   0.659   5.659
  587    H    MET  80           HN       MET  80  70.792  -0.098   3.077
  588    HA   MET  80           HA       MET  80  69.417  -2.334   4.333
  589   1HB   MET  80           HB2      MET  80  68.832   0.135   3.058
  590   2HB   MET  80           HB1      MET  80  67.988  -1.115   2.142
  591   1HG   MET  80           HG2      MET  80  67.875  -1.121   5.148
  592   2HG   MET  80           HG1      MET  80  66.807  -0.062   4.227
  593   1HE   MET  80           HE3      MET  80  65.483  -0.496   2.603
  594   2HE   MET  80           HE2      MET  80  64.931  -2.021   1.914
  595   3HE   MET  80           HE1      MET  80  64.160  -1.388   3.366
  596    H    MET  81           HN       MET  81  70.605  -1.598   1.063
  597    HA   MET  81           HA       MET  81  69.470  -3.886  -0.258
  598   1HB   MET  81           HB2      MET  81  71.531  -1.797  -0.714
  599   2HB   MET  81           HB1      MET  81  71.710  -3.265  -1.676
  600   1HG   MET  81           HG2      MET  81  69.142  -1.670  -1.464
  601   2HG   MET  81           HG1      MET  81  70.293  -1.528  -2.793
  602   1HE   MET  81           HE1      MET  81  67.484  -1.989  -3.416
  603   2HE   MET  81           HE3      MET  81  66.848  -3.635  -3.552
  604   3HE   MET  81           HE2      MET  81  67.035  -2.887  -1.968
  605    H    VAL  82           HN       VAL  82  72.859  -3.306   0.769
  606    HA   VAL  82           HA       VAL  82  73.891  -5.880   0.344
  607    HB   VAL  82           HB       VAL  82  75.370  -4.126   0.927
  608   1HG1  VAL  82          HG13      VAL  82  73.358  -3.614   3.082
  609   2HG1  VAL  82          HG12      VAL  82  75.029  -3.124   3.369
  610   3HG1  VAL  82          HG11      VAL  82  74.145  -2.475   1.988
  611   1HG2  VAL  82          HG23      VAL  82  75.286  -6.453   2.515
  612   2HG2  VAL  82          HG22      VAL  82  76.673  -5.394   2.259
  613   3HG2  VAL  82          HG21      VAL  82  75.603  -5.128   3.635
  614    H    ARG  83           HN       ARG  83  71.810  -4.725   2.942
  615    HA   ARG  83           HA       ARG  83  72.182  -6.859   4.809
  616   1HB   ARG  83           HB2      ARG  83  70.171  -4.755   4.175
  617   2HB   ARG  83           HB1      ARG  83  69.619  -6.087   5.193
  618   1HG   ARG  83           HG2      ARG  83  71.425  -5.692   6.774
  619   2HG   ARG  83           HG1      ARG  83  72.118  -4.455   5.726
  620   1HD   ARG  83           HD2      ARG  83  70.652  -2.871   6.456
  621   2HD   ARG  83           HD1      ARG  83  69.278  -3.992   6.379
  622    HE   ARG  83           HE       ARG  83  70.071  -4.947   8.548
  623   1HH1  ARG  83          HH21      ARG  83  72.808  -3.514   8.240
  624   2HH1  ARG  83          HH22      ARG  83  72.660  -2.307   9.473
  625   1HH2  ARG  83          HH11      ARG  83  69.233  -2.700   9.823
  626   2HH2  ARG  83          HH12      ARG  83  70.638  -1.846  10.369
  627    H    CYS  84           HN       CYS  84  69.532  -6.421   2.423
  628    HA   CYS  84           HA       CYS  84  68.282  -8.918   2.715
  629   1HB   CYS  84           HB2      CYS  84  67.354  -7.130   1.382
  630   2HB   CYS  84           HB1      CYS  84  68.749  -7.141   0.302
  631    HG   CYS  84           HG       CYS  84  66.913  -9.663   0.463
  632    H    MET  85           HN       MET  85  70.726  -8.115   0.201
  633    HA   MET  85           HA       MET  85  71.131 -10.902  -0.510
  634   1HB   MET  85           HB2      MET  85  72.862  -9.946  -1.954
  635   2HB   MET  85           HB1      MET  85  71.429  -8.920  -2.008
  636   1HG   MET  85           HG2      MET  85  72.420  -7.234  -0.750
  637   2HG   MET  85           HG1      MET  85  73.554  -8.339   0.026
  638   1HE   MET  85           HE1      MET  85  72.813  -5.820  -1.974
  639   2HE   MET  85           HE3      MET  85  74.413  -5.318  -2.539
  640   3HE   MET  85           HE2      MET  85  73.293  -6.110  -3.645
  641    H    LYS  86           HN       LYS  86  72.148  -9.062   2.131
  642    HA   LYS  86           HA       LYS  86  73.783  -9.427   3.797
  643   1HB   LYS  86           HB2      LYS  86  73.294 -12.096   2.490
  644   2HB   LYS  86           HB1      LYS  86  74.482 -11.952   3.785
  645   1HG   LYS  86           HG2      LYS  86  72.779 -11.009   5.277
  646   2HG   LYS  86           HG1      LYS  86  71.583 -11.084   3.982
  647   1HD   LYS  86           HD2      LYS  86  71.079 -13.150   4.744
  648   2HD   LYS  86           HD1      LYS  86  72.622 -13.663   4.060
  649   1HE   LYS  86           HE2      LYS  86  72.965 -14.333   6.254
  650   2HE   LYS  86           HE1      LYS  86  73.513 -12.651   6.403
  651   1HZ   LYS  86           HZ2      LYS  86  70.678 -13.460   6.725
  652   2HZ   LYS  86           HZ1      LYS  86  71.752 -13.346   8.036
  653   3HZ   LYS  86           HZ3      LYS  86  71.384 -11.966   7.120
  654    H    ASP  87           HN       ASP  87  75.250 -11.858   1.735
  655    HA   ASP  87           HA       ASP  87  77.253 -10.013   0.619
  656   1HB   ASP  87           HB2      ASP  87  77.544 -11.130   3.209
  657   2HB   ASP  87           HB1      ASP  87  78.664 -12.004   2.163
  658    H    ASP  88           HN       ASP  88  77.090 -10.909  -1.439
  659    HA   ASP  88           HA       ASP  88  77.464 -12.502  -3.150
  660   1HB   ASP  88           HB2      ASP  88  79.378 -12.873  -1.310
  661   2HB   ASP  88           HB1      ASP  88  78.545 -14.418  -1.129
  662    H    SER  89           HN       SER  89  77.436 -15.447  -2.512
  663    HA   SER  89           HA       SER  89  75.842 -17.185  -2.350
  664   1HB   SER  89           HB2      SER  89  75.298 -15.198  -0.313
  665   2HB   SER  89           HB1      SER  89  73.796 -15.946  -0.850
  666    HG   SER  89           HG       SER  89  75.967 -17.025   0.493
   
  No H/Q in entry =         666
  Start of MODEL    8
    1   1H    MET   1           HT1      MET   1  77.391   5.489  15.435
    2   2H    MET   1           HT3      MET   1  78.016   6.003  16.926
    3   3H    MET   1           HT2      MET   1  79.070   5.654  15.639
    4    HA   MET   1           HA       MET   1  79.277   3.721  16.839
    5   1HB   MET   1           HB2      MET   1  76.553   4.610  17.683
    6   2HB   MET   1           HB1      MET   1  76.927   2.894  17.848
    7   1HG   MET   1           HG2      MET   1  79.204   4.262  18.792
    8   2HG   MET   1           HG1      MET   1  77.818   5.108  19.481
    9   1HE   MET   1           HE1      MET   1  79.624   4.078  21.386
   10   2HE   MET   1           HE3      MET   1  79.493   2.425  22.004
   11   3HE   MET   1           HE2      MET   1  80.312   2.737  20.475
   12    H    ASP   2           HN       ASP   2  79.361   3.406  14.325
   13    HA   ASP   2           HA       ASP   2  77.884   1.021  13.651
   14   1HB   ASP   2           HB2      ASP   2  76.294   3.150  13.515
   15   2HB   ASP   2           HB1      ASP   2  77.080   3.355  11.950
   16    H    ASP   3           HN       ASP   3  79.883   0.227  12.889
   17    HA   ASP   3           HA       ASP   3  80.982   1.609  10.461
   18   1HB   ASP   3           HB2      ASP   3  82.481   0.128  12.648
   19   2HB   ASP   3           HB1      ASP   3  83.205   0.980  11.283
   20    H    ILE   4           HN       ILE   4  80.765  -1.494  12.231
   21    HA   ILE   4           HA       ILE   4  81.766  -3.311  10.409
   22    HB   ILE   4           HB       ILE   4  79.750  -4.747  11.246
   23   1HG1  ILE   4          HG12      ILE   4  79.396  -2.621  13.305
   24   2HG1  ILE   4          HG11      ILE   4  78.594  -2.369  11.754
   25   1HG2  ILE   4          HG23      ILE   4  82.178  -4.248  12.275
   26   2HG2  ILE   4          HG22      ILE   4  81.193  -3.549  13.562
   27   3HG2  ILE   4          HG21      ILE   4  80.989  -5.243  13.117
   28   1HD1  ILE   4          HD12      ILE   4  78.110  -5.056  12.358
   29   2HD1  ILE   4          HD11      ILE   4  77.911  -4.216  13.895
   30   3HD1  ILE   4          HD13      ILE   4  76.955  -3.729  12.495
   31    H    TYR   5           HN       TYR   5  78.756  -1.481  10.122
   32    HA   TYR   5           HA       TYR   5  77.971  -2.959   7.677
   33   1HB   TYR   5           HB2      TYR   5  76.799  -0.857   9.484
   34   2HB   TYR   5           HB1      TYR   5  76.096  -1.128   7.890
   35    HD1  TYR   5           HD2      TYR   5  77.532  -3.347  10.558
   36    HD2  TYR   5           HD1      TYR   5  74.212  -2.491   7.971
   37    HE1  TYR   5           HE2      TYR   5  76.350  -5.350  11.415
   38    HE2  TYR   5           HE1      TYR   5  73.028  -4.495   8.827
   39    HH   TYR   5           HH       TYR   5  74.237  -6.924  10.134
   40    H    LYS   6           HN       LYS   6  79.009   0.327   8.634
   41    HA   LYS   6           HA       LYS   6  78.788   1.668   6.181
   42   1HB   LYS   6           HB2      LYS   6  80.386   1.817   8.648
   43   2HB   LYS   6           HB1      LYS   6  81.179   2.553   7.255
   44   1HG   LYS   6           HG2      LYS   6  78.396   3.284   7.251
   45   2HG   LYS   6           HG1      LYS   6  79.092   3.652   8.830
   46   1HD   LYS   6           HD2      LYS   6  79.440   5.582   7.424
   47   2HD   LYS   6           HD1      LYS   6  81.002   4.788   7.627
   48   1HE   LYS   6           HE2      LYS   6  80.986   3.914   5.436
   49   2HE   LYS   6           HE1      LYS   6  79.229   4.109   5.276
   50   1HZ   LYS   6           HZ1      LYS   6  79.652   6.558   5.622
   51   2HZ   LYS   6           HZ3      LYS   6  81.295   6.232   5.364
   52   3HZ   LYS   6           HZ2      LYS   6  80.165   5.924   4.132
   53    H    ALA   7           HN       ALA   7  80.989  -0.882   7.111
   54    HA   ALA   7           HA       ALA   7  82.813  -0.437   4.837
   55   1HB   ALA   7           HB1      ALA   7  82.777  -1.794   7.358
   56   2HB   ALA   7           HB3      ALA   7  83.115  -2.987   6.104
   57   3HB   ALA   7           HB2      ALA   7  84.146  -1.566   6.269
   58    H    ALA   8           HN       ALA   8  79.980  -2.341   5.609
   59    HA   ALA   8           HA       ALA   8  80.310  -4.333   3.518
   60   1HB   ALA   8           HB2      ALA   8  78.754  -3.982   5.750
   61   2HB   ALA   8           HB1      ALA   8  77.598  -3.623   4.467
   62   3HB   ALA   8           HB3      ALA   8  78.426  -5.181   4.501
   63    H    VAL   9           HN       VAL   9  78.402  -1.326   3.823
   64    HA   VAL   9           HA       VAL   9  77.224  -1.453   1.199
   65    HB   VAL   9           HB       VAL   9  77.817   0.855   3.082
   66   1HG1  VAL   9          HG13      VAL   9  76.234   0.613   0.545
   67   2HG1  VAL   9          HG12      VAL   9  75.658   1.696   1.812
   68   3HG1  VAL   9          HG11      VAL   9  77.254   1.940   1.101
   69   1HG2  VAL   9          HG21      VAL   9  76.413  -1.130   3.907
   70   2HG2  VAL   9          HG23      VAL   9  75.653   0.459   4.005
   71   3HG2  VAL   9          HG22      VAL   9  75.219  -0.648   2.702
   72    H    GLU  10           HN       GLU  10  80.292  -0.226   2.426
   73    HA   GLU  10           HA       GLU  10  80.967   1.297   0.035
   74   1HB   GLU  10           HB2      GLU  10  82.125   0.539   2.644
   75   2HB   GLU  10           HB1      GLU  10  83.312   0.766   1.361
   76   1HG   GLU  10           HG2      GLU  10  81.127   2.792   1.783
   77   2HG   GLU  10           HG1      GLU  10  82.591   2.839   2.765
   78    H    GLN  11           HN       GLN  11  81.373  -2.024   1.114
   79    HA   GLN  11           HA       GLN  11  83.487  -2.879  -0.568
   80   1HB   GLN  11           HB2      GLN  11  81.402  -3.965   1.098
   81   2HB   GLN  11           HB1      GLN  11  81.519  -4.920  -0.380
   82   1HG   GLN  11           HG2      GLN  11  83.150  -5.964   0.886
   83   2HG   GLN  11           HG1      GLN  11  84.126  -4.716   0.112
   84   1HE2  GLN  11          HE22      GLN  11  83.252  -4.388   4.108
   85   2HE2  GLN  11          HE21      GLN  11  82.349  -5.448   3.138
   86    H    LEU  12           HN       LEU  12  80.127  -2.156  -1.303
   87    HA   LEU  12           HA       LEU  12  79.747  -3.551  -3.723
   88   1HB   LEU  12           HB2      LEU  12  78.883  -0.795  -2.791
   89   2HB   LEU  12           HB1      LEU  12  78.209  -1.597  -4.210
   90    HG   LEU  12           HG       LEU  12  78.203  -2.784  -1.420
   91   1HD1  LEU  12          HD12      LEU  12  76.770  -0.674  -1.847
   92   2HD1  LEU  12          HD11      LEU  12  75.813  -1.702  -2.913
   93   3HD1  LEU  12          HD13      LEU  12  75.949  -2.094  -1.199
   94   1HD2  LEU  12          HD21      LEU  12  77.432  -3.712  -4.125
   95   2HD2  LEU  12          HD23      LEU  12  77.883  -4.649  -2.700
   96   3HD2  LEU  12          HD22      LEU  12  76.242  -4.022  -2.860
   97    H    THR  13           HN       THR  13  79.875  -2.632  -5.966
   98    HA   THR  13           HA       THR  13  82.475  -1.253  -6.365
   99    HB   THR  13           HB       THR  13  81.374  -1.923  -8.832
  100    HG1  THR  13           HG1      THR  13  79.980  -3.439  -8.514
  101   1HG2  THR  13          HG22      THR  13  83.215  -3.313  -6.900
  102   2HG2  THR  13          HG21      THR  13  82.817  -4.057  -8.450
  103   3HG2  THR  13          HG23      THR  13  83.611  -2.482  -8.405
  104    H    GLU  14           HN       GLU  14  82.529   0.458  -8.114
  105    HA   GLU  14           HA       GLU  14  80.643   2.569  -7.575
  106   1HB   GLU  14           HB2      GLU  14  82.874   2.031  -9.524
  107   2HB   GLU  14           HB1      GLU  14  81.885   3.481  -9.704
  108   1HG   GLU  14           HG2      GLU  14  82.466   4.247  -7.498
  109   2HG   GLU  14           HG1      GLU  14  83.247   2.713  -7.111
  110    H    GLU  15           HN       GLU  15  81.148   0.493 -10.455
  111    HA   GLU  15           HA       GLU  15  79.239   1.442 -12.212
  112   1HB   GLU  15           HB2      GLU  15  79.026  -0.972 -12.892
  113   2HB   GLU  15           HB1      GLU  15  80.696  -0.457 -12.660
  114   1HG   GLU  15           HG2      GLU  15  80.123  -1.278 -10.148
  115   2HG   GLU  15           HG1      GLU  15  79.062  -2.351 -11.061
  116    H    GLN  16           HN       GLN  16  78.646  -0.429  -9.257
  117    HA   GLN  16           HA       GLN  16  75.771  -0.697  -9.791
  118   1HB   GLN  16           HB2      GLN  16  77.068  -2.399  -8.581
  119   2HB   GLN  16           HB1      GLN  16  77.512  -1.212  -7.356
  120   1HG   GLN  16           HG2      GLN  16  75.602  -1.616  -6.242
  121   2HG   GLN  16           HG1      GLN  16  74.661  -1.184  -7.669
  122   1HE2  GLN  16          HE22      GLN  16  74.134  -4.833  -6.684
  123   2HE2  GLN  16          HE21      GLN  16  74.113  -3.410  -5.757
  124    H    LYS  17           HN       LYS  17  77.741   1.052  -7.351
  125    HA   LYS  17           HA       LYS  17  75.650   2.467  -6.082
  126   1HB   LYS  17           HB2      LYS  17  78.529   2.466  -6.271
  127   2HB   LYS  17           HB1      LYS  17  77.944   4.130  -6.243
  128   1HG   LYS  17           HG2      LYS  17  77.898   3.829  -3.987
  129   2HG   LYS  17           HG1      LYS  17  76.376   2.998  -4.315
  130   1HD   LYS  17           HD2      LYS  17  77.302   1.172  -3.367
  131   2HD   LYS  17           HD1      LYS  17  78.323   1.060  -4.802
  132   1HE   LYS  17           HE2      LYS  17  79.123   2.909  -2.562
  133   2HE   LYS  17           HE1      LYS  17  79.480   1.174  -2.449
  134   1HZ   LYS  17           HZ2      LYS  17  80.021   2.594  -4.966
  135   2HZ   LYS  17           HZ1      LYS  17  81.125   2.752  -3.684
  136   3HZ   LYS  17           HZ3      LYS  17  80.782   1.218  -4.321
  137    H    ASN  18           HN       ASN  18  76.904   2.839  -9.280
  138    HA   ASN  18           HA       ASN  18  76.161   5.651  -9.610
  139   1HB   ASN  18           HB2      ASN  18  77.561   3.542 -11.001
  140   2HB   ASN  18           HB1      ASN  18  76.414   4.316 -12.095
  141   1HD2  ASN  18          HD22      ASN  18  79.794   6.202 -11.618
  142   2HD2  ASN  18          HD21      ASN  18  79.534   4.524 -11.603
  143    H    GLU  19           HN       GLU  19  74.781   2.503 -10.596
  144    HA   GLU  19           HA       GLU  19  72.511   3.660 -11.975
  145   1HB   GLU  19           HB2      GLU  19  73.539   1.420 -12.379
  146   2HB   GLU  19           HB1      GLU  19  72.961   0.899 -10.796
  147   1HG   GLU  19           HG2      GLU  19  70.750   0.857 -11.461
  148   2HG   GLU  19           HG1      GLU  19  70.987   2.102 -12.687
  149    H    PHE  20           HN       PHE  20  73.121   2.536  -8.672
  150    HA   PHE  20           HA       PHE  20  70.396   2.463  -7.773
  151   1HB   PHE  20           HB2      PHE  20  73.121   2.766  -6.518
  152   2HB   PHE  20           HB1      PHE  20  71.669   2.836  -5.520
  153    HD1  PHE  20           HD1      PHE  20  71.492   0.810  -8.536
  154    HD2  PHE  20           HD2      PHE  20  72.511   0.763  -4.362
  155    HE1  PHE  20           HE1      PHE  20  71.371  -1.666  -8.533
  156    HE2  PHE  20           HE2      PHE  20  72.390  -1.714  -4.361
  157    HZ   PHE  20           HZ       PHE  20  71.819  -2.929  -6.446
  158    H    LYS  21           HN       LYS  21  72.609   5.105  -8.352
  159    HA   LYS  21           HA       LYS  21  71.294   7.041  -6.626
  160   1HB   LYS  21           HB2      LYS  21  73.693   6.923  -7.684
  161   2HB   LYS  21           HB1      LYS  21  72.923   7.695  -9.072
  162   1HG   LYS  21           HG2      LYS  21  71.935   9.221  -7.044
  163   2HG   LYS  21           HG1      LYS  21  73.518   8.798  -6.390
  164   1HD   LYS  21           HD2      LYS  21  74.605  10.107  -7.884
  165   2HD   LYS  21           HD1      LYS  21  73.606   9.547  -9.226
  166   1HE   LYS  21           HE2      LYS  21  72.780  11.693  -9.149
  167   2HE   LYS  21           HE1      LYS  21  71.793  11.050  -7.821
  168   1HZ   LYS  21           HZ3      LYS  21  73.969  11.502  -6.470
  169   2HZ   LYS  21           HZ2      LYS  21  74.265  12.634  -7.703
  170   3HZ   LYS  21           HZ1      LYS  21  72.862  12.755  -6.752
  171    H    ALA  22           HN       ALA  22  71.205   6.383 -10.146
  172    HA   ALA  22           HA       ALA  22  69.385   8.469 -10.844
  173   1HB   ALA  22           HB3      ALA  22  70.058   5.754 -12.002
  174   2HB   ALA  22           HB2      ALA  22  68.981   6.885 -12.820
  175   3HB   ALA  22           HB1      ALA  22  70.661   7.328 -12.520
  176    H    ALA  23           HN       ALA  23  68.705   4.986 -10.299
  177    HA   ALA  23           HA       ALA  23  65.856   5.227 -10.425
  178   1HB   ALA  23           HB2      ALA  23  67.864   3.275  -9.325
  179   2HB   ALA  23           HB1      ALA  23  66.145   3.018  -9.020
  180   3HB   ALA  23           HB3      ALA  23  66.747   3.074 -10.676
  181    H    PHE  24           HN       PHE  24  68.171   5.768  -7.835
  182    HA   PHE  24           HA       PHE  24  66.492   5.598  -5.562
  183   1HB   PHE  24           HB2      PHE  24  68.853   5.856  -5.318
  184   2HB   PHE  24           HB1      PHE  24  68.870   7.310  -6.317
  185    HD1  PHE  24           HD2      PHE  24  67.993   9.449  -5.452
  186    HD2  PHE  24           HD1      PHE  24  68.179   5.931  -2.992
  187    HE1  PHE  24           HE2      PHE  24  67.660  10.844  -3.429
  188    HE2  PHE  24           HE1      PHE  24  67.847   7.327  -0.970
  189    HZ   PHE  24           HZ       PHE  24  67.586   9.784  -1.188
  190    H    ASP  25           HN       ASP  25  67.100   8.366  -7.744
  191    HA   ASP  25           HA       ASP  25  65.342  10.183  -6.335
  192   1HB   ASP  25           HB2      ASP  25  67.171  10.150  -8.530
  193   2HB   ASP  25           HB1      ASP  25  65.654  10.838  -9.109
  194    H    ILE  26           HN       ILE  26  64.743   7.517  -8.398
  195    HA   ILE  26           HA       ILE  26  62.264   8.548  -9.581
  196    HB   ILE  26           HB       ILE  26  63.559   5.813  -9.418
  197   1HG1  ILE  26          HG12      ILE  26  63.623   8.110 -11.375
  198   2HG1  ILE  26          HG11      ILE  26  64.975   7.205 -10.696
  199   1HG2  ILE  26          HG23      ILE  26  60.914   6.367 -10.008
  200   2HG2  ILE  26          HG22      ILE  26  61.672   6.368 -11.599
  201   3HG2  ILE  26          HG21      ILE  26  61.802   4.948 -10.563
  202   1HD1  ILE  26          HD13      ILE  26  63.909   5.167 -11.932
  203   2HD1  ILE  26          HD12      ILE  26  63.068   6.398 -12.875
  204   3HD1  ILE  26          HD11      ILE  26  64.830   6.342 -12.871
  205    H    PHE  27           HN       PHE  27  63.183   6.889  -6.650
  206    HA   PHE  27           HA       PHE  27  60.439   5.908  -6.137
  207   1HB   PHE  27           HB2      PHE  27  62.946   5.875  -4.428
  208   2HB   PHE  27           HB1      PHE  27  61.509   4.877  -4.205
  209    HD1  PHE  27           HD2      PHE  27  60.766   3.608  -6.490
  210    HD2  PHE  27           HD1      PHE  27  64.751   4.857  -5.483
  211    HE1  PHE  27           HE2      PHE  27  61.691   1.917  -8.051
  212    HE2  PHE  27           HE1      PHE  27  65.676   3.165  -7.043
  213    HZ   PHE  27           HZ       PHE  27  64.146   1.696  -8.328
  214    H    VAL  28           HN       VAL  28  62.207   8.784  -5.643
  215    HA   VAL  28           HA       VAL  28  60.901   9.538  -3.118
  216    HB   VAL  28           HB       VAL  28  62.215  11.599  -3.492
  217   1HG1  VAL  28          HG13      VAL  28  63.207   8.960  -3.202
  218   2HG1  VAL  28          HG12      VAL  28  64.323   9.808  -4.272
  219   3HG1  VAL  28          HG11      VAL  28  63.969  10.459  -2.671
  220   1HG2  VAL  28          HG23      VAL  28  61.878  11.008  -6.167
  221   2HG2  VAL  28          HG22      VAL  28  63.000  12.211  -5.531
  222   3HG2  VAL  28          HG21      VAL  28  63.567  10.581  -5.891
  223    H    LEU  29           HN       LEU  29  59.938   9.445  -6.335
  224    HA   LEU  29           HA       LEU  29  58.694  11.875  -6.924
  225   1HB   LEU  29           HB2      LEU  29  57.941   8.983  -7.354
  226   2HB   LEU  29           HB1      LEU  29  56.966  10.289  -8.029
  227    HG   LEU  29           HG       LEU  29  59.951  10.040  -8.475
  228   1HD1  LEU  29          HD13      LEU  29  57.919   8.400  -9.530
  229   2HD1  LEU  29          HD12      LEU  29  58.300   9.558 -10.805
  230   3HD1  LEU  29          HD11      LEU  29  59.574   8.549 -10.120
  231   1HD2  LEU  29          HD21      LEU  29  57.741  11.808  -9.510
  232   2HD2  LEU  29          HD23      LEU  29  59.321  12.271  -8.878
  233   3HD2  LEU  29          HD22      LEU  29  59.193  11.537 -10.476
  234    H    GLY  30           HN       GLY  30  57.909  12.871  -4.971
  235   1HA   GLY  30           HA2      GLY  30  55.517  13.263  -4.169
  236   2HA   GLY  30           HA1      GLY  30  55.512  11.544  -3.771
  237    H    ALA  31           HN       ALA  31  58.462  11.876  -2.987
  238    HA   ALA  31           HA       ALA  31  58.167  12.045  -0.187
  239   1HB   ALA  31           HB1      ALA  31  60.100  11.226  -1.686
  240   2HB   ALA  31           HB3      ALA  31  60.617  12.912  -1.732
  241   3HB   ALA  31           HB2      ALA  31  60.550  12.051  -0.193
  242    H    GLU  32           HN       GLU  32  59.764  13.898   0.926
  243    HA   GLU  32           HA       GLU  32  58.501  16.511   0.166
  244   1HB   GLU  32           HB2      GLU  32  59.675  15.677   2.832
  245   2HB   GLU  32           HB1      GLU  32  58.580  17.023   2.511
  246   1HG   GLU  32           HG2      GLU  32  56.799  15.447   1.885
  247   2HG   GLU  32           HG1      GLU  32  57.890  14.090   2.166
  248    H    ASP  33           HN       ASP  33  61.507  15.019   1.395
  249    HA   ASP  33           HA       ASP  33  62.998  17.480   0.566
  250   1HB   ASP  33           HB2      ASP  33  64.696  16.627   2.147
  251   2HB   ASP  33           HB1      ASP  33  63.121  16.750   2.932
  252    H    GLY  34           HN       GLY  34  62.117  14.748  -0.879
  253   1HA   GLY  34           HA2      GLY  34  63.053  13.839  -2.878
  254   2HA   GLY  34           HA1      GLY  34  64.589  14.612  -2.483
  255    H    CYS  35           HN       CYS  35  62.540  12.356  -0.614
  256    HA   CYS  35           HA       CYS  35  64.911  10.520  -0.466
  257   1HB   CYS  35           HB2      CYS  35  62.948  11.539   1.578
  258   2HB   CYS  35           HB1      CYS  35  63.777  10.005   1.839
  259    HG   CYS  35           HG       CYS  35  65.840  11.248   2.409
  260    H    ILE  36           HN       ILE  36  64.020   8.254   0.387
  261    HA   ILE  36           HA       ILE  36  61.653   7.567  -1.319
  262    HB   ILE  36           HB       ILE  36  63.627   5.553  -0.294
  263   1HG1  ILE  36          HG12      ILE  36  64.157   7.463  -2.598
  264   2HG1  ILE  36          HG11      ILE  36  65.059   7.399  -1.083
  265   1HG2  ILE  36          HG21      ILE  36  61.807   5.935  -2.641
  266   2HG2  ILE  36          HG23      ILE  36  63.226   4.906  -2.836
  267   3HG2  ILE  36          HG22      ILE  36  62.019   4.521  -1.608
  268   1HD1  ILE  36          HD11      ILE  36  64.829   4.810  -2.481
  269   2HD1  ILE  36          HD13      ILE  36  65.764   6.030  -3.345
  270   3HD1  ILE  36          HD12      ILE  36  66.231   5.554  -1.712
  271    H    SER  37           HN       SER  37  59.849   7.316  -0.051
  272    HA   SER  37           HA       SER  37  59.950   6.809   2.794
  273   1HB   SER  37           HB2      SER  37  58.178   7.929   1.189
  274   2HB   SER  37           HB1      SER  37  57.554   6.287   1.056
  275    HG   SER  37           HG       SER  37  56.538   7.089   2.801
  276    H    THR  38           HN       THR  38  58.756   4.874   3.762
  277    HA   THR  38           HA       THR  38  59.952   2.403   2.834
  278    HB   THR  38           HB       THR  38  58.682   1.484   4.753
  279    HG1  THR  38           HG1      THR  38  57.641   4.011   5.287
  280   1HG2  THR  38          HG21      THR  38  60.773   3.062   4.936
  281   2HG2  THR  38          HG23      THR  38  59.617   4.195   5.636
  282   3HG2  THR  38          HG22      THR  38  59.880   2.624   6.392
  283    H    LYS  39           HN       LYS  39  56.836   3.964   2.373
  284    HA   LYS  39           HA       LYS  39  55.293   1.699   1.559
  285   1HB   LYS  39           HB2      LYS  39  55.248   4.662   0.938
  286   2HB   LYS  39           HB1      LYS  39  54.004   3.561   0.343
  287   1HG   LYS  39           HG2      LYS  39  54.753   3.914   3.261
  288   2HG   LYS  39           HG1      LYS  39  53.344   4.638   2.484
  289   1HD   LYS  39           HD2      LYS  39  52.920   2.105   1.744
  290   2HD   LYS  39           HD1      LYS  39  53.852   1.787   3.208
  291   1HE   LYS  39           HE2      LYS  39  52.263   3.434   4.390
  292   2HE   LYS  39           HE1      LYS  39  51.229   3.276   2.956
  293   1HZ   LYS  39           HZ1      LYS  39  52.345   0.863   4.213
  294   2HZ   LYS  39           HZ3      LYS  39  50.977   1.591   4.902
  295   3HZ   LYS  39           HZ2      LYS  39  50.926   1.039   3.296
  296    H    GLU  40           HN       GLU  40  57.506   3.833  -0.219
  297    HA   GLU  40           HA       GLU  40  56.922   2.551  -2.802
  298   1HB   GLU  40           HB2      GLU  40  58.843   4.655  -1.777
  299   2HB   GLU  40           HB1      GLU  40  58.858   4.110  -3.455
  300   1HG   GLU  40           HG2      GLU  40  56.312   5.049  -2.137
  301   2HG   GLU  40           HG1      GLU  40  57.426   6.188  -2.895
  302    H    LEU  41           HN       LEU  41  59.435   2.431  -0.307
  303    HA   LEU  41           HA       LEU  41  61.565   1.158  -1.504
  304   1HB   LEU  41           HB2      LEU  41  61.196   1.748   0.925
  305   2HB   LEU  41           HB1      LEU  41  60.240   0.273   1.078
  306    HG   LEU  41           HG       LEU  41  62.696   0.079   1.750
  307   1HD1  LEU  41          HD12      LEU  41  60.968  -1.700   0.466
  308   2HD1  LEU  41          HD11      LEU  41  62.490  -1.870  -0.410
  309   3HD1  LEU  41          HD13      LEU  41  62.443  -2.126   1.335
  310   1HD2  LEU  41          HD21      LEU  41  63.175   1.409  -0.571
  311   2HD2  LEU  41          HD23      LEU  41  64.367   0.372   0.212
  312   3HD2  LEU  41          HD22      LEU  41  63.391  -0.254  -1.116
  313    H    GLY  42           HN       GLY  42  58.783  -0.650  -0.122
  314   1HA   GLY  42           HA2      GLY  42  59.424  -3.208  -0.987
  315   2HA   GLY  42           HA1      GLY  42  57.760  -2.625  -0.908
  316    H    LYS  43           HN       LYS  43  57.617  -0.765  -2.884
  317    HA   LYS  43           HA       LYS  43  57.415  -2.322  -5.276
  318   1HB   LYS  43           HB2      LYS  43  57.473   0.658  -4.714
  319   2HB   LYS  43           HB1      LYS  43  57.031  -0.029  -6.278
  320   1HG   LYS  43           HG2      LYS  43  55.368  -1.479  -4.828
  321   2HG   LYS  43           HG1      LYS  43  55.560  -0.164  -3.667
  322   1HD   LYS  43           HD2      LYS  43  54.727   1.453  -5.196
  323   2HD   LYS  43           HD1      LYS  43  54.899   0.357  -6.569
  324   1HE   LYS  43           HE2      LYS  43  52.588   0.234  -6.119
  325   2HE   LYS  43           HE1      LYS  43  53.212  -1.151  -5.202
  326   1HZ   LYS  43           HZ2      LYS  43  53.212   1.504  -3.948
  327   2HZ   LYS  43           HZ1      LYS  43  51.749   0.642  -4.021
  328   3HZ   LYS  43           HZ3      LYS  43  53.088  -0.029  -3.225
  329    H    VAL  44           HN       VAL  44  59.935  -0.129  -4.067
  330    HA   VAL  44           HA       VAL  44  61.490   0.052  -6.463
  331    HB   VAL  44           HB       VAL  44  62.415   0.063  -3.575
  332   1HG1  VAL  44          HG11      VAL  44  63.666   0.620  -6.132
  333   2HG1  VAL  44          HG13      VAL  44  63.675   2.058  -5.110
  334   3HG1  VAL  44          HG12      VAL  44  64.398   0.557  -4.529
  335   1HG2  VAL  44          HG21      VAL  44  60.584   1.817  -5.026
  336   2HG2  VAL  44          HG23      VAL  44  60.964   1.777  -3.304
  337   3HG2  VAL  44          HG22      VAL  44  61.987   2.690  -4.410
  338    H    MET  45           HN       MET  45  61.750  -2.164  -3.664
  339    HA   MET  45           HA       MET  45  63.986  -3.668  -4.381
  340   1HB   MET  45           HB2      MET  45  61.339  -4.327  -3.087
  341   2HB   MET  45           HB1      MET  45  62.596  -5.555  -3.251
  342   1HG   MET  45           HG2      MET  45  63.413  -2.906  -2.151
  343   2HG   MET  45           HG1      MET  45  62.455  -3.955  -1.105
  344   1HE   MET  45           HE2      MET  45  65.368  -2.744  -2.238
  345   2HE   MET  45           HE1      MET  45  66.642  -3.688  -1.471
  346   3HE   MET  45           HE3      MET  45  66.182  -4.013  -3.148
  347    H    ARG  46           HN       ARG  46  60.604  -4.335  -5.385
  348    HA   ARG  46           HA       ARG  46  61.111  -6.557  -7.058
  349   1HB   ARG  46           HB2      ARG  46  59.075  -4.329  -7.011
  350   2HB   ARG  46           HB1      ARG  46  58.987  -5.609  -8.222
  351   1HG   ARG  46           HG2      ARG  46  59.295  -7.162  -6.077
  352   2HG   ARG  46           HG1      ARG  46  58.587  -5.766  -5.264
  353   1HD   ARG  46           HD2      ARG  46  56.859  -5.901  -7.297
  354   2HD   ARG  46           HD1      ARG  46  57.354  -7.606  -7.276
  355    HE   ARG  46           HE       ARG  46  56.913  -6.802  -4.587
  356   1HH1  ARG  46          HH11      ARG  46  55.094  -6.826  -7.500
  357   2HH1  ARG  46          HH12      ARG  46  53.654  -7.444  -6.759
  358   1HH2  ARG  46          HH21      ARG  46  55.096  -7.788  -3.625
  359   2HH2  ARG  46          HH22      ARG  46  53.656  -7.987  -4.566
  360    H    MET  47           HN       MET  47  60.847  -3.108  -8.024
  361    HA   MET  47           HA       MET  47  61.477  -3.377 -10.753
  362   1HB   MET  47           HB2      MET  47  62.066  -1.244  -8.684
  363   2HB   MET  47           HB1      MET  47  62.355  -0.998 -10.408
  364   1HG   MET  47           HG2      MET  47  59.737  -2.110 -10.087
  365   2HG   MET  47           HG1      MET  47  59.894  -0.739  -8.989
  366   1HE   MET  47           HE2      MET  47  61.531   1.066  -9.718
  367   2HE   MET  47           HE1      MET  47  62.321   0.848 -11.278
  368   3HE   MET  47           HE3      MET  47  61.096   2.107 -11.070
  369    H    LEU  48           HN       LEU  48  63.741  -2.852  -8.023
  370    HA   LEU  48           HA       LEU  48  66.140  -2.904  -9.582
  371   1HB   LEU  48           HB2      LEU  48  65.537  -3.624  -6.696
  372   2HB   LEU  48           HB1      LEU  48  67.160  -3.357  -7.336
  373    HG   LEU  48           HG       LEU  48  64.895  -1.343  -7.255
  374   1HD1  LEU  48          HD11      LEU  48  66.265  -1.867  -5.146
  375   2HD1  LEU  48          HD13      LEU  48  67.640  -1.168  -6.000
  376   3HD1  LEU  48          HD12      LEU  48  66.220  -0.180  -5.656
  377   1HD2  LEU  48          HD23      LEU  48  67.324  -1.530  -8.897
  378   2HD2  LEU  48          HD22      LEU  48  65.916  -0.485  -9.091
  379   3HD2  LEU  48          HD21      LEU  48  67.214  -0.021  -7.990
  380    H    GLY  49           HN       GLY  49  65.166  -5.473  -7.288
  381   1HA   GLY  49           HA2      GLY  49  65.045  -7.647  -9.051
  382   2HA   GLY  49           HA1      GLY  49  66.753  -7.463  -8.649
  383    H    GLN  50           HN       GLN  50  64.056  -6.757  -6.472
  384    HA   GLN  50           HA       GLN  50  64.834  -9.144  -4.832
  385   1HB   GLN  50           HB2      GLN  50  64.482  -6.238  -4.056
  386   2HB   GLN  50           HB1      GLN  50  64.490  -7.539  -2.863
  387   1HG   GLN  50           HG2      GLN  50  66.742  -7.052  -2.866
  388   2HG   GLN  50           HG1      GLN  50  66.714  -8.215  -4.192
  389   1HE2  GLN  50          HE22      GLN  50  68.496  -5.341  -5.615
  390   2HE2  GLN  50          HE21      GLN  50  68.789  -6.606  -4.522
  391    H    ASN  51           HN       ASN  51  63.065  -9.549  -3.107
  392    HA   ASN  51           HA       ASN  51  60.371  -8.579  -3.887
  393   1HB   ASN  51           HB2      ASN  51  59.682 -11.063  -3.997
  394   2HB   ASN  51           HB1      ASN  51  60.617 -10.436  -5.355
  395   1HD2  ASN  51          HD22      ASN  51  63.107 -12.867  -4.889
  396   2HD2  ASN  51          HD21      ASN  51  62.225 -11.884  -5.957
  397    HA   PRO  52           HA       PRO  52  61.064  -9.529   0.636
  398   1HB   PRO  52           HB2      PRO  52  60.681  -6.983   1.566
  399   2HB   PRO  52           HB1      PRO  52  62.269  -7.603   1.073
  400   1HG   PRO  52           HG2      PRO  52  60.395  -5.825  -0.393
  401   2HG   PRO  52           HG1      PRO  52  62.164  -5.812  -0.346
  402   1HD   PRO  52           HD2      PRO  52  60.684  -6.838  -2.418
  403   2HD   PRO  52           HD1      PRO  52  62.346  -7.332  -2.034
  404    H    THR  53           HN       THR  53  59.360  -8.912   2.436
  405    HA   THR  53           HA       THR  53  56.673  -9.154   1.200
  406    HB   THR  53           HB       THR  53  56.434  -9.337   3.956
  407    HG1  THR  53           HG1      THR  53  58.436 -10.928   4.023
  408   1HG2  THR  53          HG23      THR  53  56.997 -11.370   1.798
  409   2HG2  THR  53          HG22      THR  53  56.674 -11.855   3.463
  410   3HG2  THR  53          HG21      THR  53  55.452 -10.971   2.549
  411    HA   PRO  54           HA       PRO  54  55.321  -5.141   2.336
  412   1HB   PRO  54           HB2      PRO  54  52.854  -5.577   3.433
  413   2HB   PRO  54           HB1      PRO  54  53.184  -5.754   1.698
  414   1HG   PRO  54           HG2      PRO  54  52.927  -7.841   3.800
  415   2HG   PRO  54           HG1      PRO  54  52.401  -7.868   2.110
  416   1HD   PRO  54           HD2      PRO  54  54.659  -9.116   3.031
  417   2HD   PRO  54           HD1      PRO  54  54.437  -8.572   1.354
  418    H    GLU  55           HN       GLU  55  54.322  -7.338   4.996
  419    HA   GLU  55           HA       GLU  55  54.454  -5.419   7.089
  420   1HB   GLU  55           HB2      GLU  55  53.401  -7.683   7.146
  421   2HB   GLU  55           HB1      GLU  55  55.011  -8.403   7.160
  422   1HG   GLU  55           HG2      GLU  55  54.722  -8.311   9.428
  423   2HG   GLU  55           HG1      GLU  55  55.271  -6.649   9.207
  424    H    GLU  56           HN       GLU  56  56.995  -7.225   5.463
  425    HA   GLU  56           HA       GLU  56  59.015  -6.819   7.520
  426   1HB   GLU  56           HB2      GLU  56  58.910  -7.711   4.645
  427   2HB   GLU  56           HB1      GLU  56  60.466  -7.445   5.431
  428   1HG   GLU  56           HG2      GLU  56  59.150  -8.904   7.338
  429   2HG   GLU  56           HG1      GLU  56  58.489  -9.596   5.857
  430    H    LEU  57           HN       LEU  57  57.901  -5.015   4.697
  431    HA   LEU  57           HA       LEU  57  59.963  -3.289   4.075
  432   1HB   LEU  57           HB2      LEU  57  57.030  -2.699   4.590
  433   2HB   LEU  57           HB1      LEU  57  58.115  -1.602   3.734
  434    HG   LEU  57           HG       LEU  57  57.424  -4.439   2.917
  435   1HD1  LEU  57          HD12      LEU  57  55.985  -2.118   2.529
  436   2HD1  LEU  57          HD11      LEU  57  56.962  -2.204   1.063
  437   3HD1  LEU  57          HD13      LEU  57  55.899  -3.544   1.495
  438   1HD2  LEU  57          HD23      LEU  57  59.326  -2.387   1.751
  439   2HD2  LEU  57          HD22      LEU  57  59.720  -4.010   2.320
  440   3HD2  LEU  57          HD21      LEU  57  58.759  -3.797   0.856
  441    H    GLN  58           HN       GLN  58  57.528  -1.859   6.192
  442    HA   GLN  58           HA       GLN  58  59.061   0.039   7.476
  443   1HB   GLN  58           HB2      GLN  58  56.547  -0.793   7.668
  444   2HB   GLN  58           HB1      GLN  58  57.162  -1.626   9.095
  445   1HG   GLN  58           HG2      GLN  58  57.322   1.349   8.537
  446   2HG   GLN  58           HG1      GLN  58  56.325   0.559   9.757
  447   1HE2  GLN  58          HE22      GLN  58  59.735   1.781  11.086
  448   2HE2  GLN  58          HE21      GLN  58  58.686   2.531   9.983
  449    H    GLU  59           HN       GLU  59  58.586  -3.306   8.673
  450    HA   GLU  59           HA       GLU  59  60.228  -3.210  10.939
  451   1HB   GLU  59           HB2      GLU  59  58.928  -5.124   9.272
  452   2HB   GLU  59           HB1      GLU  59  60.565  -5.711   9.571
  453   1HG   GLU  59           HG2      GLU  59  60.118  -5.106  12.048
  454   2HG   GLU  59           HG1      GLU  59  58.417  -5.049  11.581
  455    H    MET  60           HN       MET  60  61.242  -4.263   7.651
  456    HA   MET  60           HA       MET  60  64.019  -4.528   8.263
  457   1HB   MET  60           HB2      MET  60  62.231  -4.672   6.027
  458   2HB   MET  60           HB1      MET  60  63.632  -3.708   5.555
  459   1HG   MET  60           HG2      MET  60  64.031  -6.104   5.123
  460   2HG   MET  60           HG1      MET  60  65.134  -5.494   6.356
  461   1HE   MET  60           HE3      MET  60  65.839  -6.980   7.749
  462   2HE   MET  60           HE2      MET  60  65.007  -8.289   8.584
  463   3HE   MET  60           HE1      MET  60  65.334  -8.422   6.859
  464    H    ILE  61           HN       ILE  61  62.303  -1.824   6.643
  465    HA   ILE  61           HA       ILE  61  64.505  -0.050   6.443
  466    HB   ILE  61           HB       ILE  61  61.515   0.296   6.749
  467   1HG1  ILE  61          HG12      ILE  61  63.109   1.009   4.320
  468   2HG1  ILE  61          HG11      ILE  61  62.871  -0.703   4.676
  469   1HG2  ILE  61          HG22      ILE  61  63.594   2.302   6.996
  470   2HG2  ILE  61          HG21      ILE  61  62.592   2.614   5.579
  471   3HG2  ILE  61          HG23      ILE  61  61.848   2.483   7.172
  472   1HD1  ILE  61          HD12      ILE  61  60.411   0.828   5.007
  473   2HD1  ILE  61          HD11      ILE  61  61.058   0.965   3.371
  474   3HD1  ILE  61          HD13      ILE  61  60.704  -0.624   4.049
  475    H    ASP  62           HN       ASP  62  62.199  -0.565   9.113
  476    HA   ASP  62           HA       ASP  62  63.234   1.577  10.774
  477   1HB   ASP  62           HB2      ASP  62  60.953   0.431  10.812
  478   2HB   ASP  62           HB1      ASP  62  61.747  -0.926  11.609
  479    H    GLU  63           HN       GLU  63  64.328  -1.611  10.040
  480    HA   GLU  63           HA       GLU  63  65.811  -1.973  12.563
  481   1HB   GLU  63           HB2      GLU  63  65.061  -3.487  10.152
  482   2HB   GLU  63           HB1      GLU  63  66.678  -3.863  10.749
  483   1HG   GLU  63           HG2      GLU  63  65.835  -4.438  12.922
  484   2HG   GLU  63           HG1      GLU  63  64.236  -3.798  12.538
  485    H    VAL  64           HN       VAL  64  66.367  -0.639   9.388
  486    HA   VAL  64           HA       VAL  64  69.321  -0.608   9.879
  487    HB   VAL  64           HB       VAL  64  68.251  -1.611   7.783
  488   1HG1  VAL  64          HG11      VAL  64  66.921   0.871   7.797
  489   2HG1  VAL  64          HG13      VAL  64  68.044   0.948   6.441
  490   3HG1  VAL  64          HG12      VAL  64  66.860  -0.356   6.534
  491   1HG2  VAL  64          HG22      VAL  64  70.418   0.416   7.933
  492   2HG2  VAL  64          HG21      VAL  64  70.479  -1.256   7.374
  493   3HG2  VAL  64          HG23      VAL  64  69.853   0.008   6.314
  494    H    ASP  65           HN       ASP  65  66.491   1.400   9.691
  495    HA   ASP  65           HA       ASP  65  67.641   3.901   8.952
  496   1HB   ASP  65           HB2      ASP  65  65.189   2.817   9.903
  497   2HB   ASP  65           HB1      ASP  65  65.584   4.183  10.946
  498    H    GLU  66           HN       GLU  66  69.513   4.580   9.988
  499    HA   GLU  66           HA       GLU  66  69.958   4.142  12.849
  500   1HB   GLU  66           HB2      GLU  66  72.019   5.504  12.301
  501   2HB   GLU  66           HB1      GLU  66  71.800   4.086  11.274
  502   1HG   GLU  66           HG2      GLU  66  71.483   5.341   9.412
  503   2HG   GLU  66           HG1      GLU  66  70.447   6.490  10.259
  504    H    ASP  67           HN       ASP  67  68.214   6.427  11.051
  505    HA   ASP  67           HA       ASP  67  68.527   8.501  13.196
  506   1HB   ASP  67           HB2      ASP  67  67.813  10.068  11.424
  507   2HB   ASP  67           HB1      ASP  67  69.212   9.132  10.898
  508    H    GLY  68           HN       GLY  68  66.326   6.336  11.596
  509   1HA   GLY  68           HA2      GLY  68  64.097   5.801  12.122
  510   2HA   GLY  68           HA1      GLY  68  64.245   6.847  13.536
  511    H    SER  69           HN       SER  69  65.118   8.375  10.612
  512    HA   SER  69           HA       SER  69  63.171  10.421  10.784
  513   1HB   SER  69           HB2      SER  69  63.884  10.812   8.387
  514   2HB   SER  69           HB1      SER  69  65.222  10.640   9.517
  515    HG   SER  69           HG       SER  69  64.604   8.215   8.700
  516    H    GLY  70           HN       GLY  70  62.953   7.210   9.412
  517   1HA   GLY  70           HA2      GLY  70  60.793   6.163   9.018
  518   2HA   GLY  70           HA1      GLY  70  60.111   7.763   8.718
  519    H    THR  71           HN       THR  71  62.470   8.499   7.024
  520    HA   THR  71           HA       THR  71  61.546   7.114   4.543
  521    HB   THR  71           HB       THR  71  62.569   9.127   3.468
  522    HG1  THR  71           HG1      THR  71  63.957   9.271   5.564
  523   1HG2  THR  71          HG23      THR  71  60.182   9.008   4.472
  524   2HG2  THR  71          HG22      THR  71  60.826  10.046   5.745
  525   3HG2  THR  71          HG21      THR  71  60.833  10.597   4.070
  526    H    VAL  72           HN       VAL  72  63.146   6.306   3.046
  527    HA   VAL  72           HA       VAL  72  65.723   5.571   4.363
  528    HB   VAL  72           HB       VAL  72  64.570   4.468   1.796
  529   1HG1  VAL  72          HG13      VAL  72  66.395   3.416   3.971
  530   2HG1  VAL  72          HG12      VAL  72  65.749   2.414   2.672
  531   3HG1  VAL  72          HG11      VAL  72  66.821   3.764   2.296
  532   1HG2  VAL  72          HG23      VAL  72  62.819   4.427   3.592
  533   2HG2  VAL  72          HG22      VAL  72  63.347   2.814   3.112
  534   3HG2  VAL  72          HG21      VAL  72  63.939   3.526   4.613
  535    H    ASP  73           HN       ASP  73  67.465   6.795   3.772
  536    HA   ASP  73           HA       ASP  73  67.408   8.283   1.196
  537   1HB   ASP  73           HB2      ASP  73  67.966   9.197   3.571
  538   2HB   ASP  73           HB1      ASP  73  69.523   8.398   3.346
  539    H    PHE  74           HN       PHE  74  69.559   8.313  -0.024
  540    HA   PHE  74           HA       PHE  74  70.320   5.735  -0.900
  541   1HB   PHE  74           HB2      PHE  74  70.648   8.008  -1.990
  542   2HB   PHE  74           HB1      PHE  74  72.025   8.242  -0.913
  543    HD1  PHE  74           HD2      PHE  74  73.835   6.370  -0.896
  544    HD2  PHE  74           HD1      PHE  74  70.930   6.869  -4.022
  545    HE1  PHE  74           HE2      PHE  74  75.263   5.049  -2.435
  546    HE2  PHE  74           HE1      PHE  74  72.357   5.548  -5.560
  547    HZ   PHE  74           HZ       PHE  74  74.524   4.639  -4.767
  548    H    ASP  75           HN       ASP  75  71.381   7.566   1.875
  549    HA   ASP  75           HA       ASP  75  73.885   6.148   2.302
  550   1HB   ASP  75           HB2      ASP  75  72.743   8.444   3.192
  551   2HB   ASP  75           HB1      ASP  75  72.398   7.383   4.561
  552    H    GLU  76           HN       GLU  76  70.659   5.975   3.862
  553    HA   GLU  76           HA       GLU  76  71.401   3.514   5.300
  554   1HB   GLU  76           HB2      GLU  76  68.715   4.893   5.026
  555   2HB   GLU  76           HB1      GLU  76  69.236   3.818   6.325
  556   1HG   GLU  76           HG2      GLU  76  70.855   5.424   7.105
  557   2HG   GLU  76           HG1      GLU  76  70.591   6.453   5.697
  558    H    PHE  77           HN       PHE  77  69.323   4.477   2.580
  559    HA   PHE  77           HA       PHE  77  67.832   2.212   2.050
  560   1HB   PHE  77           HB2      PHE  77  67.670   4.124   0.642
  561   2HB   PHE  77           HB1      PHE  77  69.394   4.090   0.269
  562    HD1  PHE  77           HD2      PHE  77  66.385   1.852   0.031
  563    HD2  PHE  77           HD1      PHE  77  70.043   3.192  -1.780
  564    HE1  PHE  77           HE2      PHE  77  65.930   0.424  -1.944
  565    HE2  PHE  77           HE1      PHE  77  69.588   1.764  -3.754
  566    HZ   PHE  77           HZ       PHE  77  67.531   0.379  -3.837
  567    H    LEU  78           HN       LEU  78  71.273   2.687   1.181
  568    HA   LEU  78           HA       LEU  78  71.588   0.104  -0.064
  569   1HB   LEU  78           HB2      LEU  78  73.225   2.407   0.818
  570   2HB   LEU  78           HB1      LEU  78  74.087   0.868   0.739
  571    HG   LEU  78           HG       LEU  78  72.320   1.358  -1.563
  572   1HD1  LEU  78          HD11      LEU  78  74.203   3.421  -0.669
  573   2HD1  LEU  78          HD13      LEU  78  74.526   2.856  -2.308
  574   3HD1  LEU  78          HD12      LEU  78  72.940   3.510  -1.896
  575   1HD2  LEU  78          HD22      LEU  78  75.068   0.327  -0.965
  576   2HD2  LEU  78          HD21      LEU  78  73.759  -0.436  -1.867
  577   3HD2  LEU  78          HD23      LEU  78  74.711   0.849  -2.610
  578    H    VAL  79           HN       VAL  79  72.407   1.316   3.212
  579    HA   VAL  79           HA       VAL  79  73.629  -0.940   4.318
  580    HB   VAL  79           HB       VAL  79  71.534   0.901   5.527
  581   1HG1  VAL  79          HG13      VAL  79  72.252  -1.301   6.748
  582   2HG1  VAL  79          HG12      VAL  79  73.769  -0.446   7.027
  583   3HG1  VAL  79          HG11      VAL  79  72.257   0.215   7.649
  584   1HG2  VAL  79          HG21      VAL  79  74.123   1.421   4.492
  585   2HG2  VAL  79          HG23      VAL  79  73.112   2.508   5.443
  586   3HG2  VAL  79          HG22      VAL  79  74.271   1.454   6.249
  587    H    MET  80           HN       MET  80  70.270  -0.524   3.390
  588    HA   MET  80           HA       MET  80  69.301  -2.863   4.863
  589   1HB   MET  80           HB2      MET  80  68.244  -0.611   3.575
  590   2HB   MET  80           HB1      MET  80  67.724  -1.967   2.575
  591   1HG   MET  80           HG2      MET  80  67.473  -2.470   5.461
  592   2HG   MET  80           HG1      MET  80  66.464  -1.144   4.883
  593   1HE   MET  80           HE3      MET  80  64.846  -1.131   3.292
  594   2HE   MET  80           HE2      MET  80  65.550  -1.928   1.888
  595   3HE   MET  80           HE1      MET  80  64.007  -2.487   2.529
  596    H    MET  81           HN       MET  81  69.963  -2.101   1.425
  597    HA   MET  81           HA       MET  81  69.380  -4.568   0.233
  598   1HB   MET  81           HB2      MET  81  71.526  -2.482  -0.207
  599   2HB   MET  81           HB1      MET  81  71.341  -3.854  -1.298
  600   1HG   MET  81           HG2      MET  81  68.877  -3.177  -1.491
  601   2HG   MET  81           HG1      MET  81  69.341  -1.667  -0.708
  602   1HE   MET  81           HE2      MET  81  68.117  -2.798  -3.269
  603   2HE   MET  81           HE1      MET  81  68.343  -1.322  -4.204
  604   3HE   MET  81           HE3      MET  81  69.094  -2.833  -4.734
  605    H    VAL  82           HN       VAL  82  72.556  -3.541   1.517
  606    HA   VAL  82           HA       VAL  82  73.898  -6.029   1.262
  607    HB   VAL  82           HB       VAL  82  75.117  -4.021   1.682
  608   1HG1  VAL  82          HG11      VAL  82  72.899  -3.467   3.410
  609   2HG1  VAL  82          HG13      VAL  82  74.389  -3.294   4.337
  610   3HG1  VAL  82          HG12      VAL  82  74.157  -2.363   2.858
  611   1HG2  VAL  82          HG23      VAL  82  75.263  -6.201   3.568
  612   2HG2  VAL  82          HG22      VAL  82  76.567  -5.190   2.947
  613   3HG2  VAL  82          HG21      VAL  82  75.666  -4.688   4.378
  614    H    ARG  83           HN       ARG  83  71.668  -4.851   3.732
  615    HA   ARG  83           HA       ARG  83  72.244  -6.858   5.727
  616   1HB   ARG  83           HB2      ARG  83  70.194  -4.790   5.122
  617   2HB   ARG  83           HB1      ARG  83  69.687  -6.085   6.208
  618   1HG   ARG  83           HG2      ARG  83  71.505  -5.631   7.721
  619   2HG   ARG  83           HG1      ARG  83  72.242  -4.507   6.580
  620   1HD   ARG  83           HD2      ARG  83  71.052  -3.222   8.292
  621   2HD   ARG  83           HD1      ARG  83  70.162  -3.077   6.764
  622    HE   ARG  83           HE       ARG  83  68.395  -4.216   7.824
  623   1HH1  ARG  83          HH11      ARG  83  70.933  -4.199   9.998
  624   2HH1  ARG  83          HH12      ARG  83  70.483  -5.658  10.817
  625   1HH2  ARG  83          HH21      ARG  83  68.012  -6.490   8.530
  626   2HH2  ARG  83          HH22      ARG  83  68.831  -6.957   9.983
  627    H    CYS  84           HN       CYS  84  70.190  -6.774   2.873
  628    HA   CYS  84           HA       CYS  84  68.681  -9.180   3.583
  629   1HB   CYS  84           HB2      CYS  84  68.134  -7.102   2.053
  630   2HB   CYS  84           HB1      CYS  84  68.957  -8.050   0.813
  631    HG   CYS  84           HG       CYS  84  66.966  -9.842   2.129
  632    H    MET  85           HN       MET  85  71.285  -8.408   1.245
  633    HA   MET  85           HA       MET  85  71.552 -11.188   0.387
  634   1HB   MET  85           HB2      MET  85  73.485 -10.220  -0.858
  635   2HB   MET  85           HB1      MET  85  72.014  -9.271  -1.074
  636   1HG   MET  85           HG2      MET  85  72.750  -7.582   0.419
  637   2HG   MET  85           HG1      MET  85  74.012  -8.613   1.090
  638   1HE   MET  85           HE1      MET  85  73.349  -5.751  -0.592
  639   2HE   MET  85           HE3      MET  85  74.367  -5.549  -2.024
  640   3HE   MET  85           HE2      MET  85  72.886  -6.498  -2.119
  641    H    LYS  86           HN       LYS  86  72.776  -9.300   3.008
  642    HA   LYS  86           HA       LYS  86  74.442  -9.740   4.632
  643   1HB   LYS  86           HB2      LYS  86  73.209 -12.347   3.795
  644   2HB   LYS  86           HB1      LYS  86  74.535 -12.364   4.959
  645   1HG   LYS  86           HG2      LYS  86  72.860 -10.307   5.846
  646   2HG   LYS  86           HG1      LYS  86  71.757 -11.593   5.352
  647   1HD   LYS  86           HD2      LYS  86  72.215 -12.240   7.537
  648   2HD   LYS  86           HD1      LYS  86  73.463 -13.129   6.665
  649   1HE   LYS  86           HE2      LYS  86  74.971 -12.086   8.008
  650   2HE   LYS  86           HE1      LYS  86  74.589 -10.595   7.125
  651   1HZ   LYS  86           HZ2      LYS  86  73.068 -11.647   9.453
  652   2HZ   LYS  86           HZ1      LYS  86  74.171 -10.356   9.513
  653   3HZ   LYS  86           HZ3      LYS  86  72.740 -10.206   8.615
  654    H    ASP  87           HN       ASP  87  75.506  -9.281   1.995
  655    HA   ASP  87           HA       ASP  87  77.552  -9.535   0.839
  656   1HB   ASP  87           HB2      ASP  87  77.940  -9.966   3.617
  657   2HB   ASP  87           HB1      ASP  87  78.894 -11.192   2.781
  658    H    ASP  88           HN       ASP  88  77.802 -10.930  -0.855
  659    HA   ASP  88           HA       ASP  88  77.103 -13.809  -0.458
  660   1HB   ASP  88           HB2      ASP  88  76.264 -11.947  -2.267
  661   2HB   ASP  88           HB1      ASP  88  77.599 -12.684  -3.156
  662    H    SER  89           HN       SER  89  78.589 -14.273  -3.082
  663    HA   SER  89           HA       SER  89  81.421 -13.845  -2.412
  664   1HB   SER  89           HB2      SER  89  81.670 -16.456  -2.437
  665   2HB   SER  89           HB1      SER  89  81.117 -15.669  -0.962
  666    HG   SER  89           HG       SER  89  79.257 -16.454  -2.914
   
  No H/Q in entry =         666
  Start of MODEL    9
    1   1H    MET   1           HT3      MET   1  82.276  -2.687  17.081
    2   2H    MET   1           HT2      MET   1  81.468  -2.886  18.561
    3   3H    MET   1           HT1      MET   1  83.140  -3.166  18.458
    4    HA   MET   1           HA       MET   1  82.838  -5.118  17.155
    5   1HB   MET   1           HB2      MET   1  82.319  -4.901  19.727
    6   2HB   MET   1           HB1      MET   1  80.659  -5.230  19.225
    7   1HG   MET   1           HG2      MET   1  81.862  -7.176  17.845
    8   2HG   MET   1           HG1      MET   1  83.057  -7.007  19.131
    9   1HE   MET   1           HE3      MET   1  82.074  -6.107  21.282
   10   2HE   MET   1           HE2      MET   1  80.624  -6.694  22.093
   11   3HE   MET   1           HE1      MET   1  82.084  -7.681  22.089
   12    H    ASP   2           HN       ASP   2  80.235  -2.900  17.029
   13    HA   ASP   2           HA       ASP   2  78.687  -4.763  15.255
   14   1HB   ASP   2           HB2      ASP   2  77.800  -2.531  17.112
   15   2HB   ASP   2           HB1      ASP   2  76.716  -3.403  16.027
   16    H    ASP   3           HN       ASP   3  80.290  -3.771  13.608
   17    HA   ASP   3           HA       ASP   3  79.000  -1.385  12.385
   18   1HB   ASP   3           HB2      ASP   3  81.133  -1.068  14.013
   19   2HB   ASP   3           HB1      ASP   3  81.976  -1.413  12.504
   20    H    ILE   4           HN       ILE   4  79.605  -4.423  11.907
   21    HA   ILE   4           HA       ILE   4  81.365  -4.645   9.655
   22    HB   ILE   4           HB       ILE   4  80.209  -6.815   9.388
   23   1HG1  ILE   4          HG12      ILE   4  78.259  -5.639  11.398
   24   2HG1  ILE   4          HG11      ILE   4  77.905  -6.011   9.710
   25   1HG2  ILE   4          HG23      ILE   4  81.205  -5.765  11.948
   26   2HG2  ILE   4          HG22      ILE   4  80.179  -7.189  12.122
   27   3HG2  ILE   4          HG21      ILE   4  81.620  -7.259  11.108
   28   1HD1  ILE   4          HD12      ILE   4  78.997  -8.376  10.714
   29   2HD1  ILE   4          HD11      ILE   4  77.962  -7.792  12.016
   30   3HD1  ILE   4          HD13      ILE   4  77.288  -8.065  10.409
   31    H    TYR   5           HN       TYR   5  78.184  -3.327   9.945
   32    HA   TYR   5           HA       TYR   5  77.361  -3.806   7.181
   33   1HB   TYR   5           HB2      TYR   5  76.401  -2.111   9.495
   34   2HB   TYR   5           HB1      TYR   5  75.597  -2.086   7.925
   35    HD1  TYR   5           HD1      TYR   5  76.683  -4.354  10.682
   36    HD2  TYR   5           HD2      TYR   5  74.098  -3.807   7.295
   37    HE1  TYR   5           HE1      TYR   5  75.481  -6.445  11.261
   38    HE2  TYR   5           HE2      TYR   5  72.897  -5.896   7.874
   39    HH   TYR   5           HH       TYR   5  72.921  -7.732   9.166
   40    H    LYS   6           HN       LYS   6  78.950  -1.187   8.967
   41    HA   LYS   6           HA       LYS   6  78.709   0.889   7.036
   42   1HB   LYS   6           HB2      LYS   6  80.485   0.144   9.306
   43   2HB   LYS   6           HB1      LYS   6  81.105   1.369   8.199
   44   1HG   LYS   6           HG2      LYS   6  78.886   2.576   8.465
   45   2HG   LYS   6           HG1      LYS   6  78.518   1.449   9.771
   46   1HD   LYS   6           HD2      LYS   6  79.871   2.537  11.214
   47   2HD   LYS   6           HD1      LYS   6  81.187   2.597  10.042
   48   1HE   LYS   6           HE2      LYS   6  79.116   4.389   9.167
   49   2HE   LYS   6           HE1      LYS   6  79.516   4.750  10.858
   50   1HZ   LYS   6           HZ1      LYS   6  81.652   4.176   8.909
   51   2HZ   LYS   6           HZ3      LYS   6  80.996   5.737   9.008
   52   3HZ   LYS   6           HZ2      LYS   6  81.742   5.042  10.367
   53    H    ALA   7           HN       ALA   7  81.097  -1.740   7.348
   54    HA   ALA   7           HA       ALA   7  82.781  -0.868   5.168
   55   1HB   ALA   7           HB1      ALA   7  83.354  -2.441   7.056
   56   2HB   ALA   7           HB3      ALA   7  82.325  -3.652   6.290
   57   3HB   ALA   7           HB2      ALA   7  83.770  -3.072   5.462
   58    H    ALA   8           HN       ALA   8  80.231  -3.376   5.399
   59    HA   ALA   8           HA       ALA   8  80.227  -4.367   2.792
   60   1HB   ALA   8           HB3      ALA   8  78.503  -4.237   5.070
   61   2HB   ALA   8           HB2      ALA   8  77.527  -3.906   3.639
   62   3HB   ALA   8           HB1      ALA   8  78.458  -5.401   3.745
   63    H    VAL   9           HN       VAL   9  78.552  -1.429   3.968
   64    HA   VAL   9           HA       VAL   9  77.427  -0.682   1.432
   65    HB   VAL   9           HB       VAL   9  78.192   0.889   3.915
   66   1HG1  VAL   9          HG13      VAL   9  76.865   1.660   1.361
   67   2HG1  VAL   9          HG12      VAL   9  76.155   2.288   2.849
   68   3HG1  VAL   9          HG11      VAL   9  77.841   2.634   2.460
   69   1HG2  VAL   9          HG22      VAL   9  76.352  -1.113   3.677
   70   2HG2  VAL   9          HG21      VAL   9  76.192   0.234   4.804
   71   3HG2  VAL   9          HG23      VAL   9  75.370   0.287   3.244
   72    H    GLU  10           HN       GLU  10  80.500   0.102   3.043
   73    HA   GLU  10           HA       GLU  10  81.348   2.030   1.035
   74   1HB   GLU  10           HB2      GLU  10  82.209   0.897   3.558
   75   2HB   GLU  10           HB1      GLU  10  83.562   0.969   2.429
   76   1HG   GLU  10           HG2      GLU  10  83.028   3.358   1.981
   77   2HG   GLU  10           HG1      GLU  10  81.741   3.273   3.185
   78    H    GLN  11           HN       GLN  11  81.464  -1.442   1.325
   79    HA   GLN  11           HA       GLN  11  83.678  -1.833  -0.544
   80   1HB   GLN  11           HB2      GLN  11  81.967  -3.344   1.233
   81   2HB   GLN  11           HB1      GLN  11  82.061  -4.144  -0.336
   82   1HG   GLN  11           HG2      GLN  11  84.076  -4.944   0.272
   83   2HG   GLN  11           HG1      GLN  11  84.683  -3.289   0.223
   84   1HE2  GLN  11          HE22      GLN  11  85.427  -3.690   3.663
   85   2HE2  GLN  11          HE21      GLN  11  86.050  -3.455   2.100
   86    H    LEU  12           HN       LEU  12  80.527  -0.785  -0.963
   87    HA   LEU  12           HA       LEU  12  79.735  -2.277  -3.314
   88   1HB   LEU  12           HB2      LEU  12  78.970   0.406  -2.127
   89   2HB   LEU  12           HB1      LEU  12  78.128  -0.321  -3.495
   90    HG   LEU  12           HG       LEU  12  78.445  -1.562  -0.746
   91   1HD1  LEU  12          HD12      LEU  12  76.028  -0.434  -2.193
   92   2HD1  LEU  12          HD11      LEU  12  75.988  -1.255  -0.633
   93   3HD1  LEU  12          HD13      LEU  12  76.825   0.289  -0.796
   94   1HD2  LEU  12          HD22      LEU  12  77.143  -2.527  -3.306
   95   2HD2  LEU  12          HD21      LEU  12  78.423  -3.319  -2.387
   96   3HD2  LEU  12          HD23      LEU  12  76.789  -3.230  -1.727
   97    H    THR  13           HN       THR  13  81.060  -2.197  -5.114
   98    HA   THR  13           HA       THR  13  82.965  -0.331  -5.867
   99    HB   THR  13           HB       THR  13  82.488  -1.139  -8.178
  100    HG1  THR  13           HG1      THR  13  80.281  -2.446  -6.984
  101   1HG2  THR  13          HG22      THR  13  83.525  -2.552  -6.204
  102   2HG2  THR  13          HG21      THR  13  82.042  -3.492  -6.378
  103   3HG2  THR  13          HG23      THR  13  83.144  -3.324  -7.744
  104    H    GLU  14           HN       GLU  14  82.948   1.667  -6.960
  105    HA   GLU  14           HA       GLU  14  80.851   3.499  -6.567
  106   1HB   GLU  14           HB2      GLU  14  83.384   3.610  -7.432
  107   2HB   GLU  14           HB1      GLU  14  82.578   3.715  -8.998
  108   1HG   GLU  14           HG2      GLU  14  81.175   5.436  -7.223
  109   2HG   GLU  14           HG1      GLU  14  82.896   5.768  -7.016
  110    H    GLU  15           HN       GLU  15  81.469   1.365  -9.351
  111    HA   GLU  15           HA       GLU  15  79.420   2.406 -11.069
  112   1HB   GLU  15           HB2      GLU  15  79.802   0.319 -12.279
  113   2HB   GLU  15           HB1      GLU  15  81.348   0.918 -11.678
  114   1HG   GLU  15           HG2      GLU  15  80.334  -0.642  -9.585
  115   2HG   GLU  15           HG1      GLU  15  79.974  -1.564 -11.045
  116    H    GLN  16           HN       GLN  16  79.287   0.444  -8.223
  117    HA   GLN  16           HA       GLN  16  76.683  -0.775  -8.840
  118   1HB   GLN  16           HB2      GLN  16  78.420  -1.904  -7.501
  119   2HB   GLN  16           HB1      GLN  16  78.358  -0.600  -6.314
  120   1HG   GLN  16           HG2      GLN  16  76.345  -1.293  -5.448
  121   2HG   GLN  16           HG1      GLN  16  75.776  -1.917  -6.997
  122   1HE2  GLN  16          HE22      GLN  16  76.521  -5.186  -5.937
  123   2HE2  GLN  16          HE21      GLN  16  75.415  -4.127  -6.666
  124    H    LYS  17           HN       LYS  17  77.586   1.062  -5.920
  125    HA   LYS  17           HA       LYS  17  75.085   1.985  -5.172
  126   1HB   LYS  17           HB2      LYS  17  76.373   3.909  -4.183
  127   2HB   LYS  17           HB1      LYS  17  77.123   2.340  -3.884
  128   1HG   LYS  17           HG2      LYS  17  78.394   2.859  -6.137
  129   2HG   LYS  17           HG1      LYS  17  77.987   4.529  -5.744
  130   1HD   LYS  17           HD2      LYS  17  78.962   3.171  -3.387
  131   2HD   LYS  17           HD1      LYS  17  80.126   3.009  -4.702
  132   1HE   LYS  17           HE2      LYS  17  80.604   5.078  -3.478
  133   2HE   LYS  17           HE1      LYS  17  79.942   5.506  -5.069
  134   1HZ   LYS  17           HZ1      LYS  17  77.699   5.194  -3.716
  135   2HZ   LYS  17           HZ3      LYS  17  78.697   5.683  -2.435
  136   3HZ   LYS  17           HZ2      LYS  17  78.508   6.686  -3.792
  137    H    ASN  18           HN       ASN  18  77.161   3.279  -7.739
  138    HA   ASN  18           HA       ASN  18  75.757   5.697  -8.279
  139   1HB   ASN  18           HB2      ASN  18  77.476   3.764  -9.815
  140   2HB   ASN  18           HB1      ASN  18  76.737   5.128 -10.655
  141   1HD2  ASN  18          HD22      ASN  18  79.705   6.837  -9.634
  142   2HD2  ASN  18          HD21      ASN  18  78.943   6.060 -10.936
  143    H    GLU  19           HN       GLU  19  75.195   2.361  -9.386
  144    HA   GLU  19           HA       GLU  19  73.097   2.996 -11.263
  145   1HB   GLU  19           HB2      GLU  19  74.590   0.789 -10.419
  146   2HB   GLU  19           HB1      GLU  19  72.936   0.388  -9.956
  147   1HG   GLU  19           HG2      GLU  19  72.786  -0.316 -12.124
  148   2HG   GLU  19           HG1      GLU  19  72.505   1.396 -12.441
  149    H    PHE  20           HN       PHE  20  73.034   1.813  -7.880
  150    HA   PHE  20           HA       PHE  20  70.198   1.781  -7.566
  151   1HB   PHE  20           HB2      PHE  20  72.458   2.279  -5.597
  152   2HB   PHE  20           HB1      PHE  20  70.810   1.846  -5.143
  153    HD1  PHE  20           HD2      PHE  20  70.053  -0.152  -7.127
  154    HD2  PHE  20           HD1      PHE  20  73.809   0.418  -5.122
  155    HE1  PHE  20           HE2      PHE  20  70.590  -2.550  -7.452
  156    HE2  PHE  20           HE1      PHE  20  74.346  -1.980  -5.448
  157    HZ   PHE  20           HZ       PHE  20  72.737  -3.465  -6.613
  158    H    LYS  21           HN       LYS  21  72.555   4.392  -7.401
  159    HA   LYS  21           HA       LYS  21  71.006   6.353  -6.024
  160   1HB   LYS  21           HB2      LYS  21  73.492   6.262  -6.802
  161   2HB   LYS  21           HB1      LYS  21  72.881   6.924  -8.320
  162   1HG   LYS  21           HG2      LYS  21  72.268   8.941  -7.355
  163   2HG   LYS  21           HG1      LYS  21  72.046   8.228  -5.757
  164   1HD   LYS  21           HD2      LYS  21  74.079   9.086  -5.258
  165   2HD   LYS  21           HD1      LYS  21  74.735   7.792  -6.262
  166   1HE   LYS  21           HE2      LYS  21  74.213   9.494  -8.236
  167   2HE   LYS  21           HE1      LYS  21  74.348  10.688  -6.930
  168   1HZ   LYS  21           HZ2      LYS  21  76.321   8.518  -7.105
  169   2HZ   LYS  21           HZ1      LYS  21  76.484   9.856  -8.140
  170   3HZ   LYS  21           HZ3      LYS  21  76.495  10.079  -6.459
  171    H    ALA  22           HN       ALA  22  71.288   5.640  -9.520
  172    HA   ALA  22           HA       ALA  22  69.557   7.665 -10.492
  173   1HB   ALA  22           HB1      ALA  22  70.925   5.336 -11.403
  174   2HB   ALA  22           HB3      ALA  22  69.256   5.208 -11.960
  175   3HB   ALA  22           HB2      ALA  22  70.223   6.621 -12.385
  176    H    ALA  23           HN       ALA  23  68.846   4.534  -9.019
  177    HA   ALA  23           HA       ALA  23  65.997   4.598  -9.680
  178   1HB   ALA  23           HB3      ALA  23  67.658   2.991  -7.707
  179   2HB   ALA  23           HB2      ALA  23  65.990   2.626  -8.149
  180   3HB   ALA  23           HB1      ALA  23  67.268   2.513  -9.359
  181    H    PHE  24           HN       PHE  24  68.048   5.522  -6.956
  182    HA   PHE  24           HA       PHE  24  66.150   5.892  -4.913
  183   1HB   PHE  24           HB2      PHE  24  68.473   6.136  -4.464
  184   2HB   PHE  24           HB1      PHE  24  68.679   7.316  -5.757
  185    HD1  PHE  24           HD2      PHE  24  65.934   7.230  -3.244
  186    HD2  PHE  24           HD1      PHE  24  69.533   9.177  -4.550
  187    HE1  PHE  24           HE2      PHE  24  65.526   9.069  -1.631
  188    HE2  PHE  24           HE1      PHE  24  69.125  11.015  -2.938
  189    HZ   PHE  24           HZ       PHE  24  67.122  10.961  -1.478
  190    H    ASP  25           HN       ASP  25  67.080   8.126  -7.546
  191    HA   ASP  25           HA       ASP  25  65.281  10.246  -6.727
  192   1HB   ASP  25           HB2      ASP  25  67.140   9.565  -8.916
  193   2HB   ASP  25           HB1      ASP  25  65.805  10.613  -9.402
  194    H    ILE  26           HN       ILE  26  64.649   7.208  -8.078
  195    HA   ILE  26           HA       ILE  26  62.419   8.066  -9.806
  196    HB   ILE  26           HB       ILE  26  63.529   5.395  -8.921
  197   1HG1  ILE  26          HG12      ILE  26  63.814   7.162 -11.353
  198   2HG1  ILE  26          HG11      ILE  26  65.085   6.454 -10.357
  199   1HG2  ILE  26          HG23      ILE  26  61.366   6.062 -10.937
  200   2HG2  ILE  26          HG22      ILE  26  62.104   4.472 -10.745
  201   3HG2  ILE  26          HG21      ILE  26  61.150   5.166  -9.434
  202   1HD1  ILE  26          HD11      ILE  26  63.645   4.251 -11.256
  203   2HD1  ILE  26          HD13      ILE  26  63.690   5.324 -12.654
  204   3HD1  ILE  26          HD12      ILE  26  65.194   4.805 -11.892
  205    H    PHE  27           HN       PHE  27  62.827   6.401  -6.660
  206    HA   PHE  27           HA       PHE  27  59.982   5.964  -6.277
  207   1HB   PHE  27           HB2      PHE  27  62.196   6.094  -4.217
  208   2HB   PHE  27           HB1      PHE  27  60.709   5.148  -4.134
  209    HD1  PHE  27           HD2      PHE  27  60.327   3.505  -6.197
  210    HD2  PHE  27           HD1      PHE  27  64.145   5.025  -4.939
  211    HE1  PHE  27           HE2      PHE  27  61.458   1.619  -7.346
  212    HE2  PHE  27           HE1      PHE  27  65.272   3.138  -6.087
  213    HZ   PHE  27           HZ       PHE  27  63.930   1.437  -7.292
  214    H    VAL  28           HN       VAL  28  62.143   8.643  -5.699
  215    HA   VAL  28           HA       VAL  28  60.281   9.962  -3.820
  216    HB   VAL  28           HB       VAL  28  62.118  11.624  -3.767
  217   1HG1  VAL  28          HG11      VAL  28  62.149   9.099  -2.743
  218   2HG1  VAL  28          HG13      VAL  28  63.641   9.090  -3.683
  219   3HG1  VAL  28          HG12      VAL  28  63.400  10.299  -2.422
  220   1HG2  VAL  28          HG21      VAL  28  62.701  10.424  -6.305
  221   2HG2  VAL  28          HG23      VAL  28  63.452  11.838  -5.566
  222   3HG2  VAL  28          HG22      VAL  28  64.103  10.230  -5.254
  223    H    LEU  29           HN       LEU  29  59.843   9.455  -6.889
  224    HA   LEU  29           HA       LEU  29  59.907  11.804  -8.398
  225   1HB   LEU  29           HB2      LEU  29  58.562   9.266  -8.359
  226   2HB   LEU  29           HB1      LEU  29  57.398  10.513  -8.817
  227    HG   LEU  29           HG       LEU  29  58.614   9.571 -10.782
  228   1HD1  LEU  29          HD12      LEU  29  58.276  12.322 -10.053
  229   2HD1  LEU  29          HD11      LEU  29  59.750  12.173 -11.011
  230   3HD1  LEU  29          HD13      LEU  29  58.215  11.602 -11.661
  231   1HD2  LEU  29          HD21      LEU  29  60.759   9.227  -9.436
  232   2HD2  LEU  29          HD23      LEU  29  60.971   9.908 -11.048
  233   3HD2  LEU  29          HD22      LEU  29  61.048  10.956  -9.631
  234    H    GLY  30           HN       GLY  30  57.523  10.859  -5.927
  235   1HA   GLY  30           HA2      GLY  30  56.464  13.656  -6.035
  236   2HA   GLY  30           HA1      GLY  30  55.427  12.265  -5.718
  237    H    ALA  31           HN       ALA  31  58.677  12.896  -4.423
  238    HA   ALA  31           HA       ALA  31  57.598  12.505  -1.683
  239   1HB   ALA  31           HB1      ALA  31  59.619  11.309  -2.660
  240   2HB   ALA  31           HB3      ALA  31  60.454  12.861  -2.640
  241   3HB   ALA  31           HB2      ALA  31  59.918  12.128  -1.128
  242    H    GLU  32           HN       GLU  32  58.889  14.000  -0.010
  243    HA   GLU  32           HA       GLU  32  58.642  16.822  -1.004
  244   1HB   GLU  32           HB2      GLU  32  58.327  15.742   1.813
  245   2HB   GLU  32           HB1      GLU  32  57.874  17.346   1.232
  246   1HG   GLU  32           HG2      GLU  32  56.658  14.735   0.282
  247   2HG   GLU  32           HG1      GLU  32  55.900  15.862   1.407
  248    H    ASP  33           HN       ASP  33  60.602  14.542   0.849
  249    HA   ASP  33           HA       ASP  33  62.685  16.668   1.211
  250   1HB   ASP  33           HB2      ASP  33  63.477  15.149   3.028
  251   2HB   ASP  33           HB1      ASP  33  61.804  15.654   3.266
  252    H    GLY  34           HN       GLY  34  61.969  14.479  -1.021
  253   1HA   GLY  34           HA2      GLY  34  63.247  13.306  -2.599
  254   2HA   GLY  34           HA1      GLY  34  64.653  14.164  -1.967
  255    H    CYS  35           HN       CYS  35  62.397  11.678  -0.702
  256    HA   CYS  35           HA       CYS  35  64.759   9.945  -0.130
  257   1HB   CYS  35           HB2      CYS  35  62.734  11.085   1.796
  258   2HB   CYS  35           HB1      CYS  35  63.598   9.594   2.170
  259    HG   CYS  35           HG       CYS  35  65.735  11.427   1.437
  260    H    ILE  36           HN       ILE  36  64.149   7.686   0.153
  261    HA   ILE  36           HA       ILE  36  61.678   6.978  -1.313
  262    HB   ILE  36           HB       ILE  36  63.617   5.003  -0.136
  263   1HG1  ILE  36          HG12      ILE  36  64.171   6.876  -2.458
  264   2HG1  ILE  36          HG11      ILE  36  65.148   6.653  -1.007
  265   1HG2  ILE  36          HG22      ILE  36  61.465   4.833  -1.851
  266   2HG2  ILE  36          HG21      ILE  36  62.830   4.869  -2.968
  267   3HG2  ILE  36          HG23      ILE  36  62.746   3.628  -1.716
  268   1HD1  ILE  36          HD13      ILE  36  65.509   4.267  -1.685
  269   2HD1  ILE  36          HD12      ILE  36  64.670   4.614  -3.196
  270   3HD1  ILE  36          HD11      ILE  36  66.190   5.427  -2.825
  271    H    SER  37           HN       SER  37  60.006   7.382   0.224
  272    HA   SER  37           HA       SER  37  60.016   6.717   2.975
  273   1HB   SER  37           HB2      SER  37  58.275   7.751   1.050
  274   2HB   SER  37           HB1      SER  37  57.452   6.309   1.637
  275    HG   SER  37           HG       SER  37  57.255   8.462   2.812
  276    H    THR  38           HN       THR  38  58.937   4.885   4.056
  277    HA   THR  38           HA       THR  38  59.745   2.314   3.062
  278    HB   THR  38           HB       THR  38  58.428   1.536   5.036
  279    HG1  THR  38           HG1      THR  38  57.067   2.865   6.019
  280   1HG2  THR  38          HG22      THR  38  60.524   3.556   5.038
  281   2HG2  THR  38          HG21      THR  38  59.542   3.638   6.501
  282   3HG2  THR  38          HG23      THR  38  60.345   2.130   6.060
  283    H    LYS  39           HN       LYS  39  56.705   4.114   2.916
  284    HA   LYS  39           HA       LYS  39  54.883   2.102   2.182
  285   1HB   LYS  39           HB2      LYS  39  55.252   5.006   1.440
  286   2HB   LYS  39           HB1      LYS  39  53.869   4.085   0.850
  287   1HG   LYS  39           HG2      LYS  39  52.859   4.617   2.800
  288   2HG   LYS  39           HG1      LYS  39  53.951   3.457   3.555
  289   1HD   LYS  39           HD2      LYS  39  55.327   5.092   4.401
  290   2HD   LYS  39           HD1      LYS  39  55.031   6.186   3.049
  291   1HE   LYS  39           HE2      LYS  39  52.730   5.579   4.869
  292   2HE   LYS  39           HE1      LYS  39  53.985   6.693   5.448
  293   1HZ   LYS  39           HZ1      LYS  39  53.796   7.910   3.351
  294   2HZ   LYS  39           HZ3      LYS  39  52.545   6.878   2.852
  295   3HZ   LYS  39           HZ2      LYS  39  52.319   7.901   4.191
  296    H    GLU  40           HN       GLU  40  57.206   3.867   0.129
  297    HA   GLU  40           HA       GLU  40  56.352   2.400  -2.281
  298   1HB   GLU  40           HB2      GLU  40  58.607   4.354  -1.718
  299   2HB   GLU  40           HB1      GLU  40  58.092   3.828  -3.321
  300   1HG   GLU  40           HG2      GLU  40  55.728   4.658  -2.100
  301   2HG   GLU  40           HG1      GLU  40  56.918   5.850  -1.576
  302    H    LEU  41           HN       LEU  41  58.722   2.072   0.236
  303    HA   LEU  41           HA       LEU  41  60.913   0.819  -0.863
  304   1HB   LEU  41           HB2      LEU  41  60.280   1.206   1.570
  305   2HB   LEU  41           HB1      LEU  41  59.338  -0.283   1.481
  306    HG   LEU  41           HG       LEU  41  61.686  -0.582   2.373
  307   1HD1  LEU  41          HD11      LEU  41  60.185  -2.241   0.862
  308   2HD1  LEU  41          HD13      LEU  41  61.600  -2.102  -0.181
  309   3HD1  LEU  41          HD12      LEU  41  61.778  -2.690   1.472
  310   1HD2  LEU  41          HD22      LEU  41  62.628   1.122   0.713
  311   2HD2  LEU  41          HD21      LEU  41  63.549  -0.372   0.886
  312   3HD2  LEU  41          HD23      LEU  41  62.496  -0.141  -0.510
  313    H    GLY  42           HN       GLY  42  57.703  -0.668  -0.385
  314   1HA   GLY  42           HA2      GLY  42  58.391  -3.304  -1.197
  315   2HA   GLY  42           HA1      GLY  42  56.775  -2.604  -1.337
  316    H    LYS  43           HN       LYS  43  56.526  -1.031  -3.238
  317    HA   LYS  43           HA       LYS  43  56.959  -2.281  -5.703
  318   1HB   LYS  43           HB2      LYS  43  56.512   0.533  -4.759
  319   2HB   LYS  43           HB1      LYS  43  56.827   0.255  -6.472
  320   1HG   LYS  43           HG2      LYS  43  54.973  -1.394  -6.530
  321   2HG   LYS  43           HG1      LYS  43  54.636  -1.052  -4.832
  322   1HD   LYS  43           HD2      LYS  43  53.782   1.050  -5.279
  323   2HD   LYS  43           HD1      LYS  43  54.764   1.255  -6.729
  324   1HE   LYS  43           HE2      LYS  43  53.226  -0.859  -7.496
  325   2HE   LYS  43           HE1      LYS  43  52.093   0.003  -6.436
  326   1HZ   LYS  43           HZ3      LYS  43  52.812   2.082  -7.598
  327   2HZ   LYS  43           HZ2      LYS  43  53.613   1.105  -8.735
  328   3HZ   LYS  43           HZ1      LYS  43  51.926   1.006  -8.564
  329    H    VAL  44           HN       VAL  44  59.133  -0.173  -3.877
  330    HA   VAL  44           HA       VAL  44  61.052   0.372  -5.925
  331    HB   VAL  44           HB       VAL  44  61.351   0.011  -2.924
  332   1HG1  VAL  44          HG11      VAL  44  63.232   0.706  -5.050
  333   2HG1  VAL  44          HG13      VAL  44  63.133   1.954  -3.807
  334   3HG1  VAL  44          HG12      VAL  44  63.549   0.298  -3.364
  335   1HG2  VAL  44          HG23      VAL  44  59.846   1.879  -4.381
  336   2HG2  VAL  44          HG22      VAL  44  60.333   2.013  -2.691
  337   3HG2  VAL  44          HG21      VAL  44  61.330   2.730  -3.954
  338    H    MET  45           HN       MET  45  60.849  -2.269  -3.532
  339    HA   MET  45           HA       MET  45  63.277  -3.590  -4.365
  340   1HB   MET  45           HB2      MET  45  60.822  -4.270  -2.754
  341   2HB   MET  45           HB1      MET  45  62.041  -5.503  -3.081
  342   1HG   MET  45           HG2      MET  45  63.166  -2.939  -2.180
  343   2HG   MET  45           HG1      MET  45  62.137  -3.724  -0.983
  344   1HE   MET  45           HE2      MET  45  65.190  -2.949  -1.759
  345   2HE   MET  45           HE1      MET  45  66.320  -4.241  -1.367
  346   3HE   MET  45           HE3      MET  45  65.666  -4.100  -3.004
  347    H    ARG  46           HN       ARG  46  59.934  -3.713  -5.454
  348    HA   ARG  46           HA       ARG  46  60.011  -6.207  -6.857
  349   1HB   ARG  46           HB2      ARG  46  58.441  -3.638  -7.034
  350   2HB   ARG  46           HB1      ARG  46  58.149  -4.944  -8.185
  351   1HG   ARG  46           HG2      ARG  46  58.017  -6.444  -6.036
  352   2HG   ARG  46           HG1      ARG  46  57.717  -4.914  -5.210
  353   1HD   ARG  46           HD2      ARG  46  55.918  -4.507  -7.041
  354   2HD   ARG  46           HD1      ARG  46  56.050  -6.250  -7.345
  355    HE   ARG  46           HE       ARG  46  55.865  -5.981  -4.558
  356   1HH1  ARG  46          HH21      ARG  46  54.057  -4.241  -6.815
  357   2HH1  ARG  46          HH22      ARG  46  52.513  -4.784  -6.250
  358   1HH2  ARG  46          HH11      ARG  46  53.843  -7.106  -4.043
  359   2HH2  ARG  46          HH12      ARG  46  52.392  -6.406  -4.679
  360    H    MET  47           HN       MET  47  60.870  -2.892  -7.841
  361    HA   MET  47           HA       MET  47  61.416  -3.597 -10.609
  362   1HB   MET  47           HB2      MET  47  62.402  -1.245  -8.965
  363   2HB   MET  47           HB1      MET  47  62.182  -1.302 -10.715
  364   1HG   MET  47           HG2      MET  47  59.693  -2.011  -9.897
  365   2HG   MET  47           HG1      MET  47  60.168  -0.953  -8.569
  366   1HE   MET  47           HE2      MET  47  61.775   0.834  -9.101
  367   2HE   MET  47           HE1      MET  47  62.163   1.349 -10.741
  368   3HE   MET  47           HE3      MET  47  60.992   2.260  -9.778
  369    H    LEU  48           HN       LEU  48  63.428  -3.093  -7.702
  370    HA   LEU  48           HA       LEU  48  65.984  -3.385  -8.922
  371   1HB   LEU  48           HB2      LEU  48  64.983  -4.157  -6.160
  372   2HB   LEU  48           HB1      LEU  48  66.674  -3.904  -6.594
  373    HG   LEU  48           HG       LEU  48  64.482  -1.818  -6.795
  374   1HD1  LEU  48          HD12      LEU  48  66.645  -2.385  -4.776
  375   2HD1  LEU  48          HD11      LEU  48  66.043  -0.743  -5.009
  376   3HD1  LEU  48          HD13      LEU  48  64.941  -2.022  -4.498
  377   1HD2  LEU  48          HD21      LEU  48  67.448  -1.790  -7.403
  378   2HD2  LEU  48          HD23      LEU  48  66.121  -1.400  -8.496
  379   3HD2  LEU  48          HD22      LEU  48  66.512  -0.315  -7.161
  380    H    GLY  49           HN       GLY  49  64.387  -5.876  -6.907
  381   1HA   GLY  49           HA2      GLY  49  64.186  -8.038  -8.547
  382   2HA   GLY  49           HA1      GLY  49  65.928  -7.975  -8.266
  383    H    GLN  50           HN       GLN  50  63.327  -7.163  -5.983
  384    HA   GLN  50           HA       GLN  50  64.233  -9.462  -4.282
  385   1HB   GLN  50           HB2      GLN  50  63.814  -6.539  -3.721
  386   2HB   GLN  50           HB1      GLN  50  63.604  -7.711  -2.418
  387   1HG   GLN  50           HG2      GLN  50  65.845  -7.583  -2.139
  388   2HG   GLN  50           HG1      GLN  50  65.964  -8.524  -3.627
  389   1HE2  GLN  50          HE22      GLN  50  67.858  -5.245  -3.936
  390   2HE2  GLN  50          HE21      GLN  50  67.878  -6.455  -2.746
  391    H    ASN  51           HN       ASN  51  62.490  -9.784  -2.454
  392    HA   ASN  51           HA       ASN  51  59.730  -9.229  -3.433
  393   1HB   ASN  51           HB2      ASN  51  60.643 -11.415  -4.337
  394   2HB   ASN  51           HB1      ASN  51  60.750 -11.982  -2.669
  395   1HD2  ASN  51          HD22      ASN  51  57.276 -12.585  -2.372
  396   2HD2  ASN  51          HD21      ASN  51  58.785 -12.578  -1.594
  397    HA   PRO  52           HA       PRO  52  60.515  -9.118   1.208
  398   1HB   PRO  52           HB2      PRO  52  60.129  -6.433   1.566
  399   2HB   PRO  52           HB1      PRO  52  61.717  -7.143   1.213
  400   1HG   PRO  52           HG2      PRO  52  59.817  -5.756  -0.609
  401   2HG   PRO  52           HG1      PRO  52  61.585  -5.684  -0.553
  402   1HD   PRO  52           HD2      PRO  52  60.189  -7.164  -2.374
  403   2HD   PRO  52           HD1      PRO  52  61.832  -7.568  -1.825
  404    H    THR  53           HN       THR  53  58.757  -9.220   2.626
  405    HA   THR  53           HA       THR  53  56.077  -9.130   1.521
  406    HB   THR  53           HB       THR  53  55.889  -9.238   4.292
  407    HG1  THR  53           HG1      THR  53  57.800 -10.868   4.440
  408   1HG2  THR  53          HG22      THR  53  56.060 -11.170   2.049
  409   2HG2  THR  53          HG21      THR  53  56.307 -11.838   3.662
  410   3HG2  THR  53          HG23      THR  53  54.813 -10.981   3.282
  411    HA   PRO  54           HA       PRO  54  54.810  -5.066   2.608
  412   1HB   PRO  54           HB2      PRO  54  52.432  -5.423   3.917
  413   2HB   PRO  54           HB1      PRO  54  52.616  -5.662   2.168
  414   1HG   PRO  54           HG2      PRO  54  52.537  -7.681   4.356
  415   2HG   PRO  54           HG1      PRO  54  51.828  -7.745   2.734
  416   1HD   PRO  54           HD2      PRO  54  54.135  -9.026   3.409
  417   2HD   PRO  54           HD1      PRO  54  53.783  -8.449   1.764
  418    H    GLU  55           HN       GLU  55  54.919  -7.416   5.220
  419    HA   GLU  55           HA       GLU  55  54.877  -5.400   7.356
  420   1HB   GLU  55           HB2      GLU  55  53.947  -7.575   7.787
  421   2HB   GLU  55           HB1      GLU  55  55.391  -8.382   7.173
  422   1HG   GLU  55           HG2      GLU  55  55.542  -8.475   9.561
  423   2HG   GLU  55           HG1      GLU  55  56.679  -7.230   9.044
  424    H    GLU  56           HN       GLU  56  57.218  -6.828   5.261
  425    HA   GLU  56           HA       GLU  56  59.523  -6.367   7.032
  426   1HB   GLU  56           HB2      GLU  56  58.918  -7.489   4.336
  427   2HB   GLU  56           HB1      GLU  56  60.558  -6.893   4.601
  428   1HG   GLU  56           HG2      GLU  56  60.264  -8.281   6.879
  429   2HG   GLU  56           HG1      GLU  56  59.153  -9.200   5.863
  430    H    LEU  57           HN       LEU  57  57.801  -4.710   4.472
  431    HA   LEU  57           HA       LEU  57  59.579  -2.917   3.373
  432   1HB   LEU  57           HB2      LEU  57  56.749  -2.996   4.106
  433   2HB   LEU  57           HB1      LEU  57  57.381  -1.350   4.060
  434    HG   LEU  57           HG       LEU  57  58.322  -1.823   1.792
  435   1HD1  LEU  57          HD11      LEU  57  57.841  -4.477   2.513
  436   2HD1  LEU  57          HD13      LEU  57  56.609  -4.131   1.299
  437   3HD1  LEU  57          HD12      LEU  57  58.315  -3.904   0.913
  438   1HD2  LEU  57          HD21      LEU  57  55.795  -1.098   2.471
  439   2HD2  LEU  57          HD23      LEU  57  56.354  -1.198   0.802
  440   3HD2  LEU  57          HD22      LEU  57  55.455  -2.538   1.513
  441    H    GLN  58           HN       GLN  58  57.781  -2.147   6.388
  442    HA   GLN  58           HA       GLN  58  59.642   0.017   7.036
  443   1HB   GLN  58           HB2      GLN  58  57.273   0.186   7.544
  444   2HB   GLN  58           HB1      GLN  58  57.326  -1.306   8.480
  445   1HG   GLN  58           HG2      GLN  58  57.377   0.600  10.004
  446   2HG   GLN  58           HG1      GLN  58  58.937  -0.222  10.048
  447   1HE2  GLN  58          HE22      GLN  58  60.677   2.456   8.403
  448   2HE2  GLN  58          HE21      GLN  58  60.707   0.779   8.666
  449    H    GLU  59           HN       GLU  59  59.218  -3.355   7.968
  450    HA   GLU  59           HA       GLU  59  60.766  -3.332  10.380
  451   1HB   GLU  59           HB2      GLU  59  59.582  -5.213   8.483
  452   2HB   GLU  59           HB1      GLU  59  61.092  -5.821   9.163
  453   1HG   GLU  59           HG2      GLU  59  58.889  -4.650  10.874
  454   2HG   GLU  59           HG1      GLU  59  58.987  -6.369  10.494
  455    H    MET  60           HN       MET  60  61.752  -4.435   7.105
  456    HA   MET  60           HA       MET  60  64.546  -4.623   7.725
  457   1HB   MET  60           HB2      MET  60  62.732  -4.929   5.499
  458   2HB   MET  60           HB1      MET  60  64.173  -4.062   4.969
  459   1HG   MET  60           HG2      MET  60  64.484  -6.501   6.688
  460   2HG   MET  60           HG1      MET  60  64.155  -6.696   4.967
  461   1HE   MET  60           HE2      MET  60  66.274  -8.080   5.529
  462   2HE   MET  60           HE1      MET  60  66.461  -7.560   3.857
  463   3HE   MET  60           HE3      MET  60  67.836  -7.488   4.968
  464    H    ILE  61           HN       ILE  61  62.490  -1.931   6.916
  465    HA   ILE  61           HA       ILE  61  64.743  -0.171   6.167
  466    HB   ILE  61           HB       ILE  61  61.737  -0.015   6.329
  467   1HG1  ILE  61          HG12      ILE  61  61.895   0.357   3.978
  468   2HG1  ILE  61          HG11      ILE  61  63.612   0.744   4.079
  469   1HG2  ILE  61          HG23      ILE  61  63.685   2.233   6.451
  470   2HG2  ILE  61          HG22      ILE  61  62.338   2.416   5.327
  471   3HG2  ILE  61          HG21      ILE  61  62.026   2.149   7.042
  472   1HD1  ILE  61          HD12      ILE  61  62.533  -1.969   4.862
  473   2HD1  ILE  61          HD11      ILE  61  63.024  -1.596   3.210
  474   3HD1  ILE  61          HD13      ILE  61  64.203  -1.520   4.519
  475    H    ASP  62           HN       ASP  62  62.307  -0.397   8.787
  476    HA   ASP  62           HA       ASP  62  63.235   1.824  10.322
  477   1HB   ASP  62           HB2      ASP  62  61.095   0.856  10.754
  478   2HB   ASP  62           HB1      ASP  62  61.784  -0.757  10.950
  479    H    GLU  63           HN       GLU  63  64.565  -1.348   9.852
  480    HA   GLU  63           HA       GLU  63  66.221  -1.240  12.304
  481   1HB   GLU  63           HB2      GLU  63  65.756  -3.174  10.032
  482   2HB   GLU  63           HB1      GLU  63  67.051  -3.435  11.202
  483   1HG   GLU  63           HG2      GLU  63  64.538  -2.748  12.509
  484   2HG   GLU  63           HG1      GLU  63  64.384  -4.194  11.510
  485    H    VAL  64           HN       VAL  64  66.662  -1.164   8.758
  486    HA   VAL  64           HA       VAL  64  69.539  -0.828   8.887
  487    HB   VAL  64           HB       VAL  64  68.047  -1.737   7.005
  488   1HG1  VAL  64          HG13      VAL  64  66.870   0.775   7.250
  489   2HG1  VAL  64          HG12      VAL  64  67.835   0.906   5.781
  490   3HG1  VAL  64          HG11      VAL  64  66.618  -0.361   5.925
  491   1HG2  VAL  64          HG22      VAL  64  70.341   0.150   6.760
  492   2HG2  VAL  64          HG21      VAL  64  70.219  -1.540   6.269
  493   3HG2  VAL  64          HG23      VAL  64  69.497  -0.278   5.271
  494    H    ASP  65           HN       ASP  65  66.846   1.309   9.267
  495    HA   ASP  65           HA       ASP  65  67.752   3.782   8.321
  496   1HB   ASP  65           HB2      ASP  65  65.635   2.911   9.697
  497   2HB   ASP  65           HB1      ASP  65  66.538   3.596  11.048
  498    H    GLU  66           HN       GLU  66  69.255   5.300   9.047
  499    HA   GLU  66           HA       GLU  66  71.095   4.402  11.227
  500   1HB   GLU  66           HB2      GLU  66  72.102   4.765   9.052
  501   2HB   GLU  66           HB1      GLU  66  71.332   6.346   8.911
  502   1HG   GLU  66           HG2      GLU  66  72.662   6.576  11.308
  503   2HG   GLU  66           HG1      GLU  66  73.770   5.577  10.366
  504    H    ASP  67           HN       ASP  67  68.843   6.921  10.313
  505    HA   ASP  67           HA       ASP  67  69.590   8.462  12.780
  506   1HB   ASP  67           HB2      ASP  67  68.498  10.361  11.470
  507   2HB   ASP  67           HB1      ASP  67  69.992   9.732  10.774
  508    H    GLY  68           HN       GLY  68  67.471   6.199  11.931
  509   1HA   GLY  68           HA2      GLY  68  65.237   5.696  12.474
  510   2HA   GLY  68           HA1      GLY  68  65.561   6.661  13.916
  511    H    SER  69           HN       SER  69  65.549   7.816  10.560
  512    HA   SER  69           HA       SER  69  63.732   9.999  11.297
  513   1HB   SER  69           HB2      SER  69  64.319  10.828   9.142
  514   2HB   SER  69           HB1      SER  69  65.767  10.008   9.715
  515    HG   SER  69           HG       SER  69  65.550   9.017   7.853
  516    H    GLY  70           HN       GLY  70  63.568   7.004   9.392
  517   1HA   GLY  70           HA2      GLY  70  61.394   5.813   9.329
  518   2HA   GLY  70           HA1      GLY  70  60.607   7.391   9.245
  519    H    THR  71           HN       THR  71  63.093   7.993   7.362
  520    HA   THR  71           HA       THR  71  61.799   6.857   4.902
  521    HB   THR  71           HB       THR  71  62.740   9.058   3.909
  522    HG1  THR  71           HG1      THR  71  63.146  10.648   5.423
  523   1HG2  THR  71          HG23      THR  71  60.428   8.702   5.757
  524   2HG2  THR  71          HG22      THR  71  60.817  10.346   5.250
  525   3HG2  THR  71          HG21      THR  71  60.442   9.115   4.043
  526    H    VAL  72           HN       VAL  72  63.202   5.960   3.373
  527    HA   VAL  72           HA       VAL  72  66.048   5.659   4.208
  528    HB   VAL  72           HB       VAL  72  64.615   4.268   1.937
  529   1HG1  VAL  72          HG11      VAL  72  66.866   3.500   3.818
  530   2HG1  VAL  72          HG13      VAL  72  66.174   2.432   2.600
  531   3HG1  VAL  72          HG12      VAL  72  67.020   3.898   2.107
  532   1HG2  VAL  72          HG21      VAL  72  64.526   3.585   4.893
  533   2HG2  VAL  72          HG23      VAL  72  63.154   4.046   3.887
  534   3HG2  VAL  72          HG22      VAL  72  63.981   2.514   3.602
  535    H    ASP  73           HN       ASP  73  67.390   7.197   3.315
  536    HA   ASP  73           HA       ASP  73  66.697   8.366   0.671
  537   1HB   ASP  73           HB2      ASP  73  67.214   9.803   2.622
  538   2HB   ASP  73           HB1      ASP  73  68.810   9.063   2.737
  539    H    PHE  74           HN       PHE  74  70.040   8.384   1.528
  540    HA   PHE  74           HA       PHE  74  70.571   6.296  -0.559
  541   1HB   PHE  74           HB2      PHE  74  71.016   8.828  -0.961
  542   2HB   PHE  74           HB1      PHE  74  72.378   8.609   0.138
  543    HD1  PHE  74           HD1      PHE  74  70.874   6.441  -2.531
  544    HD2  PHE  74           HD2      PHE  74  74.366   8.472  -1.073
  545    HE1  PHE  74           HE1      PHE  74  72.213   5.461  -4.375
  546    HE2  PHE  74           HE2      PHE  74  75.706   7.493  -2.917
  547    HZ   PHE  74           HZ       PHE  74  74.629   5.988  -4.567
  548    H    ASP  75           HN       ASP  75  72.127   7.945   2.227
  549    HA   ASP  75           HA       ASP  75  74.203   6.116   2.713
  550   1HB   ASP  75           HB2      ASP  75  73.073   8.360   3.895
  551   2HB   ASP  75           HB1      ASP  75  72.865   7.113   5.125
  552    H    GLU  76           HN       GLU  76  70.862   6.024   4.003
  553    HA   GLU  76           HA       GLU  76  71.314   3.427   5.300
  554   1HB   GLU  76           HB2      GLU  76  68.775   5.015   4.799
  555   2HB   GLU  76           HB1      GLU  76  68.997   3.747   6.005
  556   1HG   GLU  76           HG2      GLU  76  70.250   5.094   7.396
  557   2HG   GLU  76           HG1      GLU  76  70.894   6.051   6.062
  558    H    PHE  77           HN       PHE  77  69.412   4.636   2.518
  559    HA   PHE  77           HA       PHE  77  68.074   2.350   1.691
  560   1HB   PHE  77           HB2      PHE  77  67.982   4.567   0.618
  561   2HB   PHE  77           HB1      PHE  77  69.621   4.345   0.005
  562    HD1  PHE  77           HD2      PHE  77  66.374   2.453   0.092
  563    HD2  PHE  77           HD1      PHE  77  69.827   3.603  -2.190
  564    HE1  PHE  77           HE2      PHE  77  65.477   1.242  -1.878
  565    HE2  PHE  77           HE1      PHE  77  68.930   2.391  -4.158
  566    HZ   PHE  77           HZ       PHE  77  66.755   1.211  -4.003
  567    H    LEU  78           HN       LEU  78  71.539   3.034   1.353
  568    HA   LEU  78           HA       LEU  78  72.109   0.779  -0.383
  569   1HB   LEU  78           HB2      LEU  78  73.481   2.951   1.021
  570   2HB   LEU  78           HB1      LEU  78  74.431   1.465   0.994
  571    HG   LEU  78           HG       LEU  78  73.228   2.875  -1.405
  572   1HD1  LEU  78          HD11      LEU  78  75.931   2.732  -0.158
  573   2HD1  LEU  78          HD13      LEU  78  75.857   2.684  -1.920
  574   3HD1  LEU  78          HD12      LEU  78  75.171   4.053  -1.045
  575   1HD2  LEU  78          HD21      LEU  78  74.400   0.155  -0.998
  576   2HD2  LEU  78          HD23      LEU  78  73.124   0.673  -2.101
  577   3HD2  LEU  78          HD22      LEU  78  74.812   1.009  -2.486
  578    H    VAL  79           HN       VAL  79  72.346   1.327   3.138
  579    HA   VAL  79           HA       VAL  79  73.546  -1.152   3.853
  580    HB   VAL  79           HB       VAL  79  71.518   0.561   5.326
  581   1HG1  VAL  79          HG12      VAL  79  72.163  -1.825   6.171
  582   2HG1  VAL  79          HG11      VAL  79  73.711  -1.082   6.572
  583   3HG1  VAL  79          HG13      VAL  79  72.225  -0.479   7.307
  584   1HG2  VAL  79          HG21      VAL  79  73.793   1.517   4.327
  585   2HG2  VAL  79          HG23      VAL  79  73.256   1.970   5.945
  586   3HG2  VAL  79          HG22      VAL  79  74.481   0.717   5.739
  587    H    MET  80           HN       MET  80  70.260  -0.376   2.909
  588    HA   MET  80           HA       MET  80  69.015  -2.750   4.023
  589   1HB   MET  80           HB2      MET  80  68.312  -0.343   2.678
  590   2HB   MET  80           HB1      MET  80  67.653  -1.675   1.726
  591   1HG   MET  80           HG2      MET  80  67.327  -1.747   4.702
  592   2HG   MET  80           HG1      MET  80  66.288  -0.673   3.767
  593   1HE   MET  80           HE1      MET  80  65.813  -1.391   1.460
  594   2HE   MET  80           HE3      MET  80  65.847  -3.055   0.861
  595   3HE   MET  80           HE2      MET  80  64.351  -2.374   1.497
  596    H    MET  81           HN       MET  81  70.171  -1.855   0.754
  597    HA   MET  81           HA       MET  81  69.445  -4.310  -0.531
  598   1HB   MET  81           HB2      MET  81  71.143  -1.930  -1.006
  599   2HB   MET  81           HB1      MET  81  71.596  -3.367  -1.925
  600   1HG   MET  81           HG2      MET  81  69.100  -3.562  -2.521
  601   2HG   MET  81           HG1      MET  81  68.951  -1.908  -1.926
  602   1HE   MET  81           HE2      MET  81  68.655  -0.437  -3.103
  603   2HE   MET  81           HE1      MET  81  70.004   0.371  -3.897
  604   3HE   MET  81           HE3      MET  81  68.741  -0.408  -4.862
  605    H    VAL  82           HN       VAL  82  72.639  -3.224   0.691
  606    HA   VAL  82           HA       VAL  82  74.142  -5.535   0.215
  607    HB   VAL  82           HB       VAL  82  75.074  -3.454   1.052
  608   1HG1  VAL  82          HG12      VAL  82  73.026  -2.940   2.480
  609   2HG1  VAL  82          HG11      VAL  82  73.706  -4.024   3.693
  610   3HG1  VAL  82          HG13      VAL  82  74.582  -2.567   3.225
  611   1HG2  VAL  82          HG22      VAL  82  75.588  -6.020   2.252
  612   2HG2  VAL  82          HG21      VAL  82  76.725  -4.708   1.933
  613   3HG2  VAL  82          HG23      VAL  82  75.839  -4.756   3.457
  614    H    ARG  83           HN       ARG  83  71.860  -4.914   2.871
  615    HA   ARG  83           HA       ARG  83  72.482  -7.181   4.490
  616   1HB   ARG  83           HB2      ARG  83  70.305  -5.221   4.103
  617   2HB   ARG  83           HB1      ARG  83  69.798  -6.743   4.838
  618   1HG   ARG  83           HG2      ARG  83  71.789  -6.470   6.425
  619   2HG   ARG  83           HG1      ARG  83  71.906  -4.815   5.827
  620   1HD   ARG  83           HD2      ARG  83  70.452  -4.414   7.577
  621   2HD   ARG  83           HD1      ARG  83  69.243  -4.927   6.381
  622    HE   ARG  83           HE       ARG  83  70.219  -7.298   7.504
  623   1HH1  ARG  83          HH21      ARG  83  69.897  -4.703   9.508
  624   2HH1  ARG  83          HH22      ARG  83  68.570  -5.319  10.433
  625   1HH2  ARG  83          HH11      ARG  83  67.979  -7.988   8.303
  626   2HH2  ARG  83          HH12      ARG  83  67.485  -7.178   9.751
  627    H    CYS  84           HN       CYS  84  69.759  -6.819   2.178
  628    HA   CYS  84           HA       CYS  84  68.703  -9.362   2.145
  629   1HB   CYS  84           HB2      CYS  84  68.120  -7.310   0.755
  630   2HB   CYS  84           HB1      CYS  84  69.405  -7.794  -0.352
  631    HG   CYS  84           HG       CYS  84  67.953  -9.591  -1.257
  632    H    MET  85           HN       MET  85  71.526  -8.348   0.171
  633    HA   MET  85           HA       MET  85  72.068 -11.038  -0.777
  634   1HB   MET  85           HB2      MET  85  74.085  -9.940  -1.681
  635   2HB   MET  85           HB1      MET  85  72.663  -8.936  -1.957
  636   1HG   MET  85           HG2      MET  85  73.223  -7.472  -0.157
  637   2HG   MET  85           HG1      MET  85  74.440  -8.588   0.464
  638   1HE   MET  85           HE3      MET  85  73.124  -6.371  -1.954
  639   2HE   MET  85           HE2      MET  85  74.418  -5.182  -1.842
  640   3HE   MET  85           HE1      MET  85  74.269  -6.178  -3.287
  641    H    LYS  86           HN       LYS  86  75.055 -10.550  -0.209
  642    HA   LYS  86           HA       LYS  86  75.038 -11.706   2.558
  643   1HB   LYS  86           HB2      LYS  86  76.835 -12.089   0.145
  644   2HB   LYS  86           HB1      LYS  86  77.194 -12.764   1.735
  645   1HG   LYS  86           HG2      LYS  86  74.822 -13.782   1.626
  646   2HG   LYS  86           HG1      LYS  86  74.886 -13.414  -0.097
  647   1HD   LYS  86           HD2      LYS  86  76.620 -14.920  -0.493
  648   2HD   LYS  86           HD1      LYS  86  77.180 -14.871   1.179
  649   1HE   LYS  86           HE2      LYS  86  75.147 -16.099   1.894
  650   2HE   LYS  86           HE1      LYS  86  74.611 -16.175   0.204
  651   1HZ   LYS  86           HZ3      LYS  86  77.113 -17.005  -0.053
  652   2HZ   LYS  86           HZ2      LYS  86  76.804 -17.573   1.518
  653   3HZ   LYS  86           HZ1      LYS  86  75.822 -18.069   0.223
  654    H    ASP  87           HN       ASP  87  76.721 -10.998   4.002
  655    HA   ASP  87           HA       ASP  87  77.349  -8.268   4.079
  656   1HB   ASP  87           HB2      ASP  87  78.032 -10.723   5.432
  657   2HB   ASP  87           HB1      ASP  87  79.465  -9.704   5.304
  658    H    ASP  88           HN       ASP  88  79.749 -10.816   3.285
  659    HA   ASP  88           HA       ASP  88  80.902  -8.999   1.212
  660   1HB   ASP  88           HB2      ASP  88  82.144  -8.531   3.219
  661   2HB   ASP  88           HB1      ASP  88  82.278 -10.247   3.607
  662    H    SER  89           HN       SER  89  79.757 -10.757  -0.092
  663    HA   SER  89           HA       SER  89  81.249 -13.346  -0.126
  664   1HB   SER  89           HB2      SER  89  78.755 -13.277   0.100
  665   2HB   SER  89           HB1      SER  89  78.665 -12.485  -1.471
  666    HG   SER  89           HG       SER  89  78.511 -14.938  -1.245
   
  No H/Q in entry =         666
  Start of MODEL   10
    1   1H    MET   1           HT1      MET   1  75.168   0.230  13.580
    2   2H    MET   1           HT3      MET   1  73.848   0.805  14.478
    3   3H    MET   1           HT2      MET   1  75.141   1.844  14.112
    4    HA   MET   1           HA       MET   1  75.579   1.286  16.311
    5   1HB   MET   1           HB2      MET   1  74.312  -1.263  15.357
    6   2HB   MET   1           HB1      MET   1  75.331  -1.311  16.796
    7   1HG   MET   1           HG2      MET   1  73.532   0.965  16.878
    8   2HG   MET   1           HG1      MET   1  72.636  -0.542  16.685
    9   1HE   MET   1           HE3      MET   1  74.028   1.883  18.496
   10   2HE   MET   1           HE2      MET   1  73.124   1.457  19.948
   11   3HE   MET   1           HE1      MET   1  74.880   1.316  19.938
   12    H    ASP   2           HN       ASP   2  76.356  -1.846  14.868
   13    HA   ASP   2           HA       ASP   2  79.180  -1.557  15.441
   14   1HB   ASP   2           HB2      ASP   2  77.302  -3.560  14.754
   15   2HB   ASP   2           HB1      ASP   2  78.537  -3.597  13.493
   16    H    ASP   3           HN       ASP   3  80.903  -1.376  13.877
   17    HA   ASP   3           HA       ASP   3  80.202   0.259  11.519
   18   1HB   ASP   3           HB2      ASP   3  82.729  -0.600  12.937
   19   2HB   ASP   3           HB1      ASP   3  82.785   0.278  11.409
   20    H    ILE   4           HN       ILE   4  79.827  -2.845  11.849
   21    HA   ILE   4           HA       ILE   4  81.579  -4.053   9.878
   22    HB   ILE   4           HB       ILE   4  80.128  -5.962  10.218
   23   1HG1  ILE   4          HG12      ILE   4  78.182  -4.030  11.519
   24   2HG1  ILE   4          HG11      ILE   4  77.998  -4.681   9.890
   25   1HG2  ILE   4          HG22      ILE   4  81.354  -4.559  12.290
   26   2HG2  ILE   4          HG21      ILE   4  79.745  -4.917  12.918
   27   3HG2  ILE   4          HG23      ILE   4  80.787  -6.227  12.364
   28   1HD1  ILE   4          HD11      ILE   4  78.395  -6.554  12.208
   29   2HD1  ILE   4          HD13      ILE   4  76.796  -5.882  11.887
   30   3HD1  ILE   4          HD12      ILE   4  77.606  -6.854  10.659
   31    H    TYR   5           HN       TYR   5  78.730  -2.106   9.689
   32    HA   TYR   5           HA       TYR   5  78.001  -3.079   6.987
   33   1HB   TYR   5           HB2      TYR   5  76.895  -0.976   8.874
   34   2HB   TYR   5           HB1      TYR   5  76.170  -1.381   7.319
   35    HD1  TYR   5           HD1      TYR   5  75.673  -3.917   6.902
   36    HD2  TYR   5           HD2      TYR   5  76.269  -2.185  10.787
   37    HE1  TYR   5           HE1      TYR   5  74.506  -5.844   7.940
   38    HE2  TYR   5           HE2      TYR   5  75.102  -4.111  11.825
   39    HH   TYR   5           HH       TYR   5  74.630  -6.508  11.238
   40    H    LYS   6           HN       LYS   6  79.519  -0.283   8.549
   41    HA   LYS   6           HA       LYS   6  79.486   1.534   6.359
   42   1HB   LYS   6           HB2      LYS   6  81.374   1.024   8.671
   43   2HB   LYS   6           HB1      LYS   6  81.592   2.383   7.568
   44   1HG   LYS   6           HG2      LYS   6  78.954   2.659   8.144
   45   2HG   LYS   6           HG1      LYS   6  79.531   1.960   9.657
   46   1HD   LYS   6           HD2      LYS   6  80.953   3.752  10.101
   47   2HD   LYS   6           HD1      LYS   6  81.071   4.209   8.401
   48   1HE   LYS   6           HE2      LYS   6  79.329   5.643   8.611
   49   2HE   LYS   6           HE1      LYS   6  78.315   4.373   9.326
   50   1HZ   LYS   6           HZ3      LYS   6  80.489   5.730  10.819
   51   2HZ   LYS   6           HZ2      LYS   6  78.879   6.276  10.849
   52   3HZ   LYS   6           HZ1      LYS   6  79.268   4.731  11.442
   53    H    ALA   7           HN       ALA   7  81.209  -1.426   6.806
   54    HA   ALA   7           HA       ALA   7  83.238  -0.748   4.738
   55   1HB   ALA   7           HB3      ALA   7  82.831  -2.756   6.896
   56   2HB   ALA   7           HB2      ALA   7  83.716  -3.315   5.476
   57   3HB   ALA   7           HB1      ALA   7  84.309  -1.932   6.395
   58    H    ALA   8           HN       ALA   8  80.463  -2.887   5.310
   59    HA   ALA   8           HA       ALA   8  80.702  -4.423   2.884
   60   1HB   ALA   8           HB2      ALA   8  79.263  -4.568   5.165
   61   2HB   ALA   8           HB1      ALA   8  78.042  -3.859   4.106
   62   3HB   ALA   8           HB3      ALA   8  78.780  -5.407   3.691
   63    H    VAL   9           HN       VAL   9  79.229  -1.313   3.666
   64    HA   VAL   9           HA       VAL   9  77.766  -1.099   1.140
   65    HB   VAL   9           HB       VAL   9  78.534   0.942   3.254
   66   1HG1  VAL   9          HG12      VAL   9  76.666   0.965   0.894
   67   2HG1  VAL   9          HG11      VAL   9  76.318   1.959   2.308
   68   3HG1  VAL   9          HG13      VAL   9  77.815   2.200   1.409
   69   1HG2  VAL   9          HG23      VAL   9  76.866  -1.314   3.454
   70   2HG2  VAL   9          HG22      VAL   9  76.921   0.056   4.563
   71   3HG2  VAL   9          HG21      VAL   9  75.770   0.049   3.226
   72    H    GLU  10           HN       GLU  10  80.862   0.060   2.441
   73    HA   GLU  10           HA       GLU  10  81.464   1.744   0.137
   74   1HB   GLU  10           HB2      GLU  10  82.427   1.229   2.761
   75   2HB   GLU  10           HB1      GLU  10  83.767   0.920   1.656
   76   1HG   GLU  10           HG2      GLU  10  82.078   3.404   1.392
   77   2HG   GLU  10           HG1      GLU  10  83.447   3.347   2.503
   78    H    GLN  11           HN       GLN  11  81.669  -1.625   0.807
   79    HA   GLN  11           HA       GLN  11  83.947  -2.276  -0.860
   80   1HB   GLN  11           HB2      GLN  11  82.042  -3.539   0.862
   81   2HB   GLN  11           HB1      GLN  11  82.053  -4.414  -0.670
   82   1HG   GLN  11           HG2      GLN  11  84.031  -5.352  -0.156
   83   2HG   GLN  11           HG1      GLN  11  84.757  -3.758   0.050
   84   1HE2  GLN  11          HE22      GLN  11  84.875  -4.054   3.548
   85   2HE2  GLN  11          HE21      GLN  11  85.427  -3.273   2.145
   86    H    LEU  12           HN       LEU  12  80.608  -1.532  -1.505
   87    HA   LEU  12           HA       LEU  12  80.156  -2.928  -3.931
   88   1HB   LEU  12           HB2      LEU  12  79.281  -0.205  -2.918
   89   2HB   LEU  12           HB1      LEU  12  78.576  -0.988  -4.334
   90    HG   LEU  12           HG       LEU  12  78.613  -2.109  -1.515
   91   1HD1  LEU  12          HD11      LEU  12  76.820  -0.333  -2.901
   92   2HD1  LEU  12          HD13      LEU  12  75.999  -1.862  -2.588
   93   3HD1  LEU  12          HD12      LEU  12  76.703  -0.949  -1.253
   94   1HD2  LEU  12          HD23      LEU  12  78.332  -3.376  -4.091
   95   2HD2  LEU  12          HD22      LEU  12  78.280  -4.114  -2.490
   96   3HD2  LEU  12          HD21      LEU  12  76.803  -3.480  -3.217
   97    H    THR  13           HN       THR  13  80.493  -2.278  -6.139
   98    HA   THR  13           HA       THR  13  82.966  -0.789  -6.609
   99    HB   THR  13           HB       THR  13  82.618  -1.538  -8.884
  100    HG1  THR  13           HG1      THR  13  80.401  -2.714  -9.038
  101   1HG2  THR  13          HG21      THR  13  83.098  -3.250  -7.039
  102   2HG2  THR  13          HG23      THR  13  81.394  -3.693  -7.157
  103   3HG2  THR  13          HG22      THR  13  82.454  -3.887  -8.553
  104    H    GLU  14           HN       GLU  14  83.073   1.102  -8.049
  105    HA   GLU  14           HA       GLU  14  81.311   3.224  -7.388
  106   1HB   GLU  14           HB2      GLU  14  83.696   2.854  -8.721
  107   2HB   GLU  14           HB1      GLU  14  82.620   3.358 -10.026
  108   1HG   GLU  14           HG2      GLU  14  82.838   5.484  -9.324
  109   2HG   GLU  14           HG1      GLU  14  82.030   5.031  -7.822
  110    H    GLU  15           HN       GLU  15  81.444   1.267 -10.392
  111    HA   GLU  15           HA       GLU  15  79.287   2.448 -11.767
  112   1HB   GLU  15           HB2      GLU  15  79.274   0.362 -13.010
  113   2HB   GLU  15           HB1      GLU  15  80.943   0.702 -12.547
  114   1HG   GLU  15           HG2      GLU  15  80.610  -0.774 -10.535
  115   2HG   GLU  15           HG1      GLU  15  79.032  -1.217 -11.186
  116    H    GLN  16           HN       GLN  16  79.265   0.102  -9.117
  117    HA   GLN  16           HA       GLN  16  76.497  -0.659  -9.300
  118   1HB   GLN  16           HB2      GLN  16  78.175  -1.915  -8.046
  119   2HB   GLN  16           HB1      GLN  16  78.471  -0.527  -6.996
  120   1HG   GLN  16           HG2      GLN  16  76.914  -1.442  -5.629
  121   2HG   GLN  16           HG1      GLN  16  75.733  -0.860  -6.803
  122   1HE2  GLN  16          HE22      GLN  16  74.776  -4.316  -6.837
  123   2HE2  GLN  16          HE21      GLN  16  74.410  -2.807  -6.151
  124    H    LYS  17           HN       LYS  17  78.135   1.703  -7.150
  125    HA   LYS  17           HA       LYS  17  75.679   2.783  -6.075
  126   1HB   LYS  17           HB2      LYS  17  78.587   3.580  -6.189
  127   2HB   LYS  17           HB1      LYS  17  77.393   4.659  -5.467
  128   1HG   LYS  17           HG2      LYS  17  77.125   3.337  -3.636
  129   2HG   LYS  17           HG1      LYS  17  77.189   1.852  -4.585
  130   1HD   LYS  17           HD2      LYS  17  79.205   1.627  -3.510
  131   2HD   LYS  17           HD1      LYS  17  79.752   2.634  -4.850
  132   1HE   LYS  17           HE2      LYS  17  80.592   3.695  -2.868
  133   2HE   LYS  17           HE1      LYS  17  79.175   4.653  -3.339
  134   1HZ   LYS  17           HZ2      LYS  17  77.843   3.106  -1.909
  135   2HZ   LYS  17           HZ1      LYS  17  79.310   2.503  -1.298
  136   3HZ   LYS  17           HZ3      LYS  17  78.898   4.130  -1.059
  137    H    ASN  18           HN       ASN  18  77.176   3.115  -9.111
  138    HA   ASN  18           HA       ASN  18  76.392   5.890  -9.638
  139   1HB   ASN  18           HB2      ASN  18  78.015   3.811 -10.759
  140   2HB   ASN  18           HB1      ASN  18  76.896   4.368 -12.004
  141   1HD2  ASN  18          HD22      ASN  18  79.507   7.123 -10.400
  142   2HD2  ASN  18          HD21      ASN  18  78.979   5.831  -9.434
  143    H    GLU  19           HN       GLU  19  75.116   2.650 -10.376
  144    HA   GLU  19           HA       GLU  19  72.956   3.678 -12.063
  145   1HB   GLU  19           HB2      GLU  19  73.519   0.989 -10.771
  146   2HB   GLU  19           HB1      GLU  19  72.276   1.275 -11.991
  147   1HG   GLU  19           HG2      GLU  19  74.078   2.124 -13.528
  148   2HG   GLU  19           HG1      GLU  19  75.268   1.616 -12.328
  149    H    PHE  20           HN       PHE  20  73.356   2.766  -8.673
  150    HA   PHE  20           HA       PHE  20  70.545   2.650  -8.019
  151   1HB   PHE  20           HB2      PHE  20  73.160   2.901  -6.559
  152   2HB   PHE  20           HB1      PHE  20  71.647   3.076  -5.668
  153    HD1  PHE  20           HD2      PHE  20  72.681   0.880  -8.529
  154    HD2  PHE  20           HD1      PHE  20  71.177   1.104  -4.511
  155    HE1  PHE  20           HE2      PHE  20  72.416  -1.586  -8.492
  156    HE2  PHE  20           HE1      PHE  20  70.911  -1.362  -4.474
  157    HZ   PHE  20           HZ       PHE  20  71.532  -2.707  -6.463
  158    H    LYS  21           HN       LYS  21  72.936   5.269  -8.105
  159    HA   LYS  21           HA       LYS  21  71.517   7.248  -6.639
  160   1HB   LYS  21           HB2      LYS  21  73.849   7.436  -7.390
  161   2HB   LYS  21           HB1      LYS  21  73.322   7.456  -9.074
  162   1HG   LYS  21           HG2      LYS  21  73.183   9.699  -8.912
  163   2HG   LYS  21           HG1      LYS  21  71.814   9.464  -7.824
  164   1HD   LYS  21           HD2      LYS  21  73.136   9.675  -5.902
  165   2HD   LYS  21           HD1      LYS  21  74.624   9.288  -6.766
  166   1HE   LYS  21           HE2      LYS  21  74.900  11.581  -6.651
  167   2HE   LYS  21           HE1      LYS  21  73.888  11.531  -8.109
  168   1HZ   LYS  21           HZ3      LYS  21  72.508  11.400  -5.546
  169   2HZ   LYS  21           HZ2      LYS  21  73.195  12.900  -5.952
  170   3HZ   LYS  21           HZ1      LYS  21  72.052  12.180  -6.981
  171    H    ALA  22           HN       ALA  22  71.372   6.418 -10.113
  172    HA   ALA  22           HA       ALA  22  69.465   8.427 -10.857
  173   1HB   ALA  22           HB1      ALA  22  70.982   6.437 -12.055
  174   2HB   ALA  22           HB3      ALA  22  69.331   5.856 -12.277
  175   3HB   ALA  22           HB2      ALA  22  69.797   7.445 -12.886
  176    H    ALA  23           HN       ALA  23  68.988   4.936 -10.177
  177    HA   ALA  23           HA       ALA  23  66.139   4.965 -10.246
  178   1HB   ALA  23           HB2      ALA  23  67.954   3.064 -10.157
  179   2HB   ALA  23           HB1      ALA  23  67.751   3.205  -8.411
  180   3HB   ALA  23           HB3      ALA  23  66.375   2.777  -9.426
  181    H    PHE  24           HN       PHE  24  68.443   5.734  -7.678
  182    HA   PHE  24           HA       PHE  24  66.818   5.699  -5.393
  183   1HB   PHE  24           HB2      PHE  24  69.271   6.188  -5.569
  184   2HB   PHE  24           HB1      PHE  24  68.872   7.786  -6.199
  185    HD1  PHE  24           HD2      PHE  24  68.651   5.565  -3.241
  186    HD2  PHE  24           HD1      PHE  24  68.061   9.540  -4.759
  187    HE1  PHE  24           HE2      PHE  24  68.382   6.409  -0.926
  188    HE2  PHE  24           HE1      PHE  24  67.794  10.384  -2.442
  189    HZ   PHE  24           HZ       PHE  24  67.954   8.819  -0.526
  190    H    ASP  25           HN       ASP  25  67.206   8.357  -7.759
  191    HA   ASP  25           HA       ASP  25  65.296  10.114  -6.474
  192   1HB   ASP  25           HB2      ASP  25  66.939   9.951  -8.923
  193   2HB   ASP  25           HB1      ASP  25  65.464  10.902  -9.098
  194    H    ILE  26           HN       ILE  26  64.932   7.328  -8.471
  195    HA   ILE  26           HA       ILE  26  62.377   8.107  -9.671
  196    HB   ILE  26           HB       ILE  26  63.928   5.518  -9.425
  197   1HG1  ILE  26          HG12      ILE  26  63.681   7.708 -11.486
  198   2HG1  ILE  26          HG11      ILE  26  65.143   6.987 -10.815
  199   1HG2  ILE  26          HG21      ILE  26  61.220   5.755  -9.948
  200   2HG2  ILE  26          HG23      ILE  26  61.929   5.750 -11.562
  201   3HG2  ILE  26          HG22      ILE  26  62.240   4.410 -10.457
  202   1HD1  ILE  26          HD11      ILE  26  64.611   4.862 -11.970
  203   2HD1  ILE  26          HD13      ILE  26  63.175   5.611 -12.664
  204   3HD1  ILE  26          HD12      ILE  26  64.777   6.196 -13.111
  205    H    PHE  27           HN       PHE  27  63.440   6.299  -6.813
  206    HA   PHE  27           HA       PHE  27  60.774   5.238  -6.240
  207   1HB   PHE  27           HB2      PHE  27  63.204   5.469  -4.444
  208   2HB   PHE  27           HB1      PHE  27  61.896   4.291  -4.329
  209    HD1  PHE  27           HD1      PHE  27  61.459   3.140  -6.828
  210    HD2  PHE  27           HD2      PHE  27  65.189   4.568  -5.248
  211    HE1  PHE  27           HE1      PHE  27  62.688   1.620  -8.356
  212    HE2  PHE  27           HE2      PHE  27  66.418   3.049  -6.776
  213    HZ   PHE  27           HZ       PHE  27  65.167   1.575  -8.329
  214    H    VAL  28           HN       VAL  28  62.483   8.192  -5.580
  215    HA   VAL  28           HA       VAL  28  60.863   8.888  -3.224
  216    HB   VAL  28           HB       VAL  28  62.199  10.982  -3.416
  217   1HG1  VAL  28          HG12      VAL  28  63.063   8.800  -2.384
  218   2HG1  VAL  28          HG11      VAL  28  63.988   8.596  -3.870
  219   3HG1  VAL  28          HG13      VAL  28  64.279   9.993  -2.836
  220   1HG2  VAL  28          HG23      VAL  28  62.213  10.767  -6.003
  221   2HG2  VAL  28          HG22      VAL  28  63.671  11.376  -5.218
  222   3HG2  VAL  28          HG21      VAL  28  63.595   9.699  -5.758
  223    H    LEU  29           HN       LEU  29  60.409   8.969  -6.587
  224    HA   LEU  29           HA       LEU  29  59.231  11.389  -7.242
  225   1HB   LEU  29           HB2      LEU  29  59.302   8.776  -8.224
  226   2HB   LEU  29           HB1      LEU  29  57.579   9.119  -8.051
  227    HG   LEU  29           HG       LEU  29  58.270  11.427  -9.166
  228   1HD1  LEU  29          HD12      LEU  29  60.717  10.137  -9.180
  229   2HD1  LEU  29          HD11      LEU  29  60.120   9.856 -10.815
  230   3HD1  LEU  29          HD13      LEU  29  60.280  11.503 -10.206
  231   1HD2  LEU  29          HD22      LEU  29  56.716   9.628 -10.049
  232   2HD2  LEU  29          HD21      LEU  29  57.583  10.526 -11.294
  233   3HD2  LEU  29          HD23      LEU  29  58.117   8.906 -10.843
  234    H    GLY  30           HN       GLY  30  58.184  12.398  -5.462
  235   1HA   GLY  30           HA2      GLY  30  55.682  12.730  -4.973
  236   2HA   GLY  30           HA1      GLY  30  55.713  11.039  -4.467
  237    H    ALA  31           HN       ALA  31  58.590  11.685  -3.461
  238    HA   ALA  31           HA       ALA  31  57.921  12.034  -0.698
  239   1HB   ALA  31           HB1      ALA  31  60.057  11.195  -2.140
  240   2HB   ALA  31           HB3      ALA  31  60.612  12.810  -1.699
  241   3HB   ALA  31           HB2      ALA  31  60.174  11.654  -0.441
  242    H    GLU  32           HN       GLU  32  59.522  13.964   0.363
  243    HA   GLU  32           HA       GLU  32  58.336  16.494  -0.715
  244   1HB   GLU  32           HB2      GLU  32  59.397  15.758   2.035
  245   2HB   GLU  32           HB1      GLU  32  58.599  17.275   1.614
  246   1HG   GLU  32           HG2      GLU  32  56.698  15.640   0.739
  247   2HG   GLU  32           HG1      GLU  32  57.429  14.537   1.907
  248    H    ASP  33           HN       ASP  33  61.319  15.195   0.784
  249    HA   ASP  33           HA       ASP  33  62.824  17.512  -0.368
  250   1HB   ASP  33           HB2      ASP  33  64.522  16.803   1.339
  251   2HB   ASP  33           HB1      ASP  33  62.959  17.203   2.051
  252    H    GLY  34           HN       GLY  34  62.323  14.110  -0.685
  253   1HA   GLY  34           HA2      GLY  34  63.209  13.156  -2.839
  254   2HA   GLY  34           HA1      GLY  34  64.742  13.933  -2.441
  255    H    CYS  35           HN       CYS  35  62.474  11.954  -0.505
  256    HA   CYS  35           HA       CYS  35  64.779  10.125   0.097
  257   1HB   CYS  35           HB2      CYS  35  63.064  11.764   1.764
  258   2HB   CYS  35           HB1      CYS  35  62.907  10.064   2.209
  259    HG   CYS  35           HG       CYS  35  65.137  11.636   3.138
  260    H    ILE  36           HN       ILE  36  64.258   7.885   0.170
  261    HA   ILE  36           HA       ILE  36  61.719   7.162  -1.175
  262    HB   ILE  36           HB       ILE  36  63.707   5.109  -0.307
  263   1HG1  ILE  36          HG12      ILE  36  64.318   7.323  -2.286
  264   2HG1  ILE  36          HG11      ILE  36  65.297   6.795  -0.919
  265   1HG2  ILE  36          HG22      ILE  36  62.207   5.748  -2.864
  266   2HG2  ILE  36          HG21      ILE  36  63.298   4.376  -2.678
  267   3HG2  ILE  36          HG23      ILE  36  61.830   4.472  -1.706
  268   1HD1  ILE  36          HD13      ILE  36  65.095   4.463  -2.310
  269   2HD1  ILE  36          HD12      ILE  36  65.062   5.631  -3.630
  270   3HD1  ILE  36          HD11      ILE  36  66.422   5.608  -2.508
  271    H    SER  37           HN       SER  37  60.366   7.691   0.733
  272    HA   SER  37           HA       SER  37  60.593   6.602   3.316
  273   1HB   SER  37           HB2      SER  37  58.850   8.173   1.969
  274   2HB   SER  37           HB1      SER  37  57.908   6.686   2.030
  275    HG   SER  37           HG       SER  37  57.790   8.264   3.870
  276    H    THR  38           HN       THR  38  58.953   4.832   4.141
  277    HA   THR  38           HA       THR  38  59.629   2.331   2.808
  278    HB   THR  38           HB       THR  38  59.493   2.604   5.254
  279    HG1  THR  38           HG1      THR  38  57.917   0.849   5.582
  280   1HG2  THR  38          HG21      THR  38  56.737   3.499   4.528
  281   2HG2  THR  38          HG23      THR  38  56.966   2.664   6.065
  282   3HG2  THR  38          HG22      THR  38  57.848   4.154   5.732
  283    H    LYS  39           HN       LYS  39  56.899   4.517   2.801
  284    HA   LYS  39           HA       LYS  39  54.848   2.723   1.922
  285   1HB   LYS  39           HB2      LYS  39  55.195   5.434   2.519
  286   2HB   LYS  39           HB1      LYS  39  54.719   5.423   0.821
  287   1HG   LYS  39           HG2      LYS  39  52.598   4.856   1.335
  288   2HG   LYS  39           HG1      LYS  39  53.141   3.534   2.370
  289   1HD   LYS  39           HD2      LYS  39  52.956   6.459   3.146
  290   2HD   LYS  39           HD1      LYS  39  51.911   5.157   3.717
  291   1HE   LYS  39           HE2      LYS  39  53.380   4.761   5.393
  292   2HE   LYS  39           HE1      LYS  39  54.610   4.343   4.184
  293   1HZ   LYS  39           HZ1      LYS  39  53.951   7.170   4.627
  294   2HZ   LYS  39           HZ3      LYS  39  54.956   6.390   5.747
  295   3HZ   LYS  39           HZ2      LYS  39  55.413   6.472   4.113
  296    H    GLU  40           HN       GLU  40  57.415   4.440   0.205
  297    HA   GLU  40           HA       GLU  40  56.420   3.328  -2.389
  298   1HB   GLU  40           HB2      GLU  40  58.371   5.550  -1.698
  299   2HB   GLU  40           HB1      GLU  40  57.908   5.094  -3.337
  300   1HG   GLU  40           HG2      GLU  40  56.106   6.432  -3.183
  301   2HG   GLU  40           HG1      GLU  40  55.503   5.436  -1.859
  302    H    LEU  41           HN       LEU  41  57.685   1.492  -0.670
  303    HA   LEU  41           HA       LEU  41  60.397   1.190  -1.921
  304   1HB   LEU  41           HB2      LEU  41  59.711   1.482   0.728
  305   2HB   LEU  41           HB1      LEU  41  59.782  -0.274   0.566
  306    HG   LEU  41           HG       LEU  41  61.964   1.723  -0.073
  307   1HD1  LEU  41          HD13      LEU  41  61.352  -0.138   2.114
  308   2HD1  LEU  41          HD12      LEU  41  62.983  -0.328   1.471
  309   3HD1  LEU  41          HD11      LEU  41  62.455   1.239   2.085
  310   1HD2  LEU  41          HD21      LEU  41  61.709  -1.218  -0.748
  311   2HD2  LEU  41          HD23      LEU  41  62.023   0.119  -1.856
  312   3HD2  LEU  41          HD22      LEU  41  63.262  -0.380  -0.704
  313    H    GLY  42           HN       GLY  42  57.282  -0.261  -1.337
  314   1HA   GLY  42           HA2      GLY  42  58.007  -3.007  -1.778
  315   2HA   GLY  42           HA1      GLY  42  56.386  -2.337  -1.988
  316    H    LYS  43           HN       LYS  43  56.340  -0.758  -4.031
  317    HA   LYS  43           HA       LYS  43  56.695  -2.344  -6.363
  318   1HB   LYS  43           HB2      LYS  43  56.248  -0.191  -7.517
  319   2HB   LYS  43           HB1      LYS  43  55.175  -0.407  -6.135
  320   1HG   LYS  43           HG2      LYS  43  55.874   1.663  -5.520
  321   2HG   LYS  43           HG1      LYS  43  57.337   0.838  -4.980
  322   1HD   LYS  43           HD2      LYS  43  58.070   2.622  -6.396
  323   2HD   LYS  43           HD1      LYS  43  58.232   1.145  -7.347
  324   1HE   LYS  43           HE2      LYS  43  55.843   1.668  -8.214
  325   2HE   LYS  43           HE1      LYS  43  56.127   3.301  -7.581
  326   1HZ   LYS  43           HZ3      LYS  43  58.231   3.348  -8.804
  327   2HZ   LYS  43           HZ2      LYS  43  57.889   1.820  -9.464
  328   3HZ   LYS  43           HZ1      LYS  43  56.912   3.155  -9.853
  329    H    VAL  44           HN       VAL  44  58.900  -0.233  -4.646
  330    HA   VAL  44           HA       VAL  44  60.824   0.163  -6.758
  331    HB   VAL  44           HB       VAL  44  61.091   0.127  -3.730
  332   1HG1  VAL  44          HG11      VAL  44  62.952   0.725  -5.933
  333   2HG1  VAL  44          HG13      VAL  44  62.849   1.997  -4.716
  334   3HG1  VAL  44          HG12      VAL  44  63.292   0.357  -4.242
  335   1HG2  VAL  44          HG21      VAL  44  60.239   2.221  -5.731
  336   2HG2  VAL  44          HG23      VAL  44  59.430   1.733  -4.241
  337   3HG2  VAL  44          HG22      VAL  44  60.918   2.678  -4.169
  338    H    MET  45           HN       MET  45  60.389  -2.321  -4.261
  339    HA   MET  45           HA       MET  45  62.890  -3.701  -4.857
  340   1HB   MET  45           HB2      MET  45  60.405  -4.176  -3.223
  341   2HB   MET  45           HB1      MET  45  61.583  -5.473  -3.429
  342   1HG   MET  45           HG2      MET  45  62.693  -2.818  -2.705
  343   2HG   MET  45           HG1      MET  45  61.750  -3.627  -1.452
  344   1HE   MET  45           HE3      MET  45  64.335  -2.685  -1.220
  345   2HE   MET  45           HE2      MET  45  64.594  -3.914   0.016
  346   3HE   MET  45           HE1      MET  45  65.737  -3.759  -1.316
  347    H    ARG  46           HN       ARG  46  59.537  -3.921  -5.937
  348    HA   ARG  46           HA       ARG  46  59.592  -6.512  -7.126
  349   1HB   ARG  46           HB2      ARG  46  58.066  -3.954  -7.446
  350   2HB   ARG  46           HB1      ARG  46  57.839  -5.214  -8.658
  351   1HG   ARG  46           HG2      ARG  46  57.709  -6.656  -6.323
  352   2HG   ARG  46           HG1      ARG  46  56.956  -5.132  -5.850
  353   1HD   ARG  46           HD2      ARG  46  55.251  -6.676  -6.753
  354   2HD   ARG  46           HD1      ARG  46  55.456  -5.300  -7.854
  355    HE   ARG  46           HE       ARG  46  56.873  -6.737  -9.274
  356   1HH1  ARG  46          HH21      ARG  46  54.316  -8.106  -7.604
  357   2HH1  ARG  46          HH22      ARG  46  54.793  -9.752  -7.860
  358   1HH2  ARG  46          HH11      ARG  46  57.873  -8.924  -9.221
  359   2HH2  ARG  46          HH12      ARG  46  56.809 -10.215  -8.773
  360    H    MET  47           HN       MET  47  60.073  -3.322  -8.710
  361    HA   MET  47           HA       MET  47  60.964  -4.482 -11.206
  362   1HB   MET  47           HB2      MET  47  61.336  -2.175 -11.803
  363   2HB   MET  47           HB1      MET  47  59.905  -2.212 -10.773
  364   1HG   MET  47           HG2      MET  47  61.140  -1.452  -8.870
  365   2HG   MET  47           HG1      MET  47  62.683  -1.712  -9.683
  366   1HE   MET  47           HE2      MET  47  63.982   0.131 -10.323
  367   2HE   MET  47           HE1      MET  47  63.398  -0.435 -11.886
  368   3HE   MET  47           HE3      MET  47  63.477   1.299 -11.541
  369    H    LEU  48           HN       LEU  48  62.593  -3.419  -8.261
  370    HA   LEU  48           HA       LEU  48  65.267  -3.282  -9.297
  371   1HB   LEU  48           HB2      LEU  48  63.887  -3.540  -6.663
  372   2HB   LEU  48           HB1      LEU  48  65.611  -3.914  -6.706
  373    HG   LEU  48           HG       LEU  48  64.414  -1.360  -7.816
  374   1HD1  LEU  48          HD11      LEU  48  64.165  -1.628  -5.314
  375   2HD1  LEU  48          HD13      LEU  48  65.922  -1.744  -5.216
  376   3HD1  LEU  48          HD12      LEU  48  65.167  -0.261  -5.804
  377   1HD2  LEU  48          HD22      LEU  48  66.997  -2.632  -7.979
  378   2HD2  LEU  48          HD21      LEU  48  66.467  -1.119  -8.713
  379   3HD2  LEU  48          HD23      LEU  48  67.141  -1.120  -7.082
  380    H    GLY  49           HN       GLY  49  63.176  -5.957  -8.660
  381   1HA   GLY  49           HA2      GLY  49  63.797  -8.166  -9.540
  382   2HA   GLY  49           HA1      GLY  49  65.470  -7.814  -9.109
  383    H    GLN  50           HN       GLN  50  63.022  -6.892  -6.848
  384    HA   GLN  50           HA       GLN  50  63.710  -9.274  -5.155
  385   1HB   GLN  50           HB2      GLN  50  63.261  -6.388  -4.325
  386   2HB   GLN  50           HB1      GLN  50  63.743  -7.711  -3.263
  387   1HG   GLN  50           HG2      GLN  50  65.556  -7.702  -5.451
  388   2HG   GLN  50           HG1      GLN  50  65.412  -6.036  -4.890
  389   1HE2  GLN  50          HE22      GLN  50  67.795  -6.892  -2.414
  390   2HE2  GLN  50          HE21      GLN  50  67.460  -5.953  -3.789
  391    H    ASN  51           HN       ASN  51  62.019  -9.654  -3.426
  392    HA   ASN  51           HA       ASN  51  59.305  -8.642  -4.142
  393   1HB   ASN  51           HB2      ASN  51  59.689 -10.724  -5.386
  394   2HB   ASN  51           HB1      ASN  51  60.174 -11.541  -3.901
  395   1HD2  ASN  51          HD22      ASN  51  56.638 -12.453  -4.280
  396   2HD2  ASN  51          HD21      ASN  51  58.133 -12.845  -4.983
  397    HA   PRO  52           HA       PRO  52  60.278  -9.081   0.421
  398   1HB   PRO  52           HB2      PRO  52  60.049  -6.431   1.065
  399   2HB   PRO  52           HB1      PRO  52  61.577  -7.173   0.549
  400   1HG   PRO  52           HG2      PRO  52  59.662  -5.510  -1.004
  401   2HG   PRO  52           HG1      PRO  52  61.431  -5.544  -1.057
  402   1HD   PRO  52           HD2      PRO  52  59.825  -6.754  -2.913
  403   2HD   PRO  52           HD1      PRO  52  61.481  -7.279  -2.540
  404    H    THR  53           HN       THR  53  58.660  -8.955   2.079
  405    HA   THR  53           HA       THR  53  55.902  -8.695   1.082
  406    HB   THR  53           HB       THR  53  55.683  -9.288   3.704
  407    HG1  THR  53           HG1      THR  53  57.504 -10.254   4.438
  408   1HG2  THR  53          HG21      THR  53  55.078 -10.694   1.700
  409   2HG2  THR  53          HG23      THR  53  56.741 -11.278   1.681
  410   3HG2  THR  53          HG22      THR  53  55.703 -11.616   3.067
  411    HA   PRO  54           HA       PRO  54  55.006  -4.757   2.796
  412   1HB   PRO  54           HB2      PRO  54  52.625  -5.127   4.093
  413   2HB   PRO  54           HB1      PRO  54  52.769  -5.109   2.325
  414   1HG   PRO  54           HG2      PRO  54  52.547  -7.424   4.180
  415   2HG   PRO  54           HG1      PRO  54  51.830  -7.188   2.580
  416   1HD   PRO  54           HD2      PRO  54  54.036  -8.726   3.028
  417   2HD   PRO  54           HD1      PRO  54  53.710  -7.903   1.487
  418    H    GLU  55           HN       GLU  55  54.222  -7.262   5.244
  419    HA   GLU  55           HA       GLU  55  54.642  -5.633   7.546
  420   1HB   GLU  55           HB2      GLU  55  54.405  -8.488   6.823
  421   2HB   GLU  55           HB1      GLU  55  55.294  -8.188   8.316
  422   1HG   GLU  55           HG2      GLU  55  53.271  -6.527   8.781
  423   2HG   GLU  55           HG1      GLU  55  52.433  -7.608   7.667
  424    H    GLU  56           HN       GLU  56  56.901  -7.212   5.388
  425    HA   GLU  56           HA       GLU  56  59.168  -6.998   7.263
  426   1HB   GLU  56           HB2      GLU  56  58.511  -8.180   4.642
  427   2HB   GLU  56           HB1      GLU  56  60.164  -7.576   4.761
  428   1HG   GLU  56           HG2      GLU  56  60.124  -8.830   7.088
  429   2HG   GLU  56           HG1      GLU  56  58.827  -9.753   6.328
  430    H    LEU  57           HN       LEU  57  58.087  -5.439   4.240
  431    HA   LEU  57           HA       LEU  57  60.141  -3.749   3.567
  432   1HB   LEU  57           HB2      LEU  57  57.507  -3.994   2.974
  433   2HB   LEU  57           HB1      LEU  57  57.475  -2.468   3.856
  434    HG   LEU  57           HG       LEU  57  59.692  -2.191   2.220
  435   1HD1  LEU  57          HD11      LEU  57  57.465  -3.570   0.687
  436   2HD1  LEU  57          HD13      LEU  57  58.878  -2.801  -0.038
  437   3HD1  LEU  57          HD12      LEU  57  59.076  -4.228   0.981
  438   1HD2  LEU  57          HD21      LEU  57  57.062  -1.063   2.560
  439   2HD2  LEU  57          HD23      LEU  57  58.523  -0.281   1.958
  440   3HD2  LEU  57          HD22      LEU  57  57.451  -1.124   0.840
  441    H    GLN  58           HN       GLN  58  57.598  -2.665   5.851
  442    HA   GLN  58           HA       GLN  58  58.963  -0.365   6.792
  443   1HB   GLN  58           HB2      GLN  58  56.518  -1.390   7.068
  444   2HB   GLN  58           HB1      GLN  58  57.190  -1.971   8.591
  445   1HG   GLN  58           HG2      GLN  58  57.106   0.906   7.641
  446   2HG   GLN  58           HG1      GLN  58  56.168   0.207   8.961
  447   1HE2  GLN  58          HE22      GLN  58  59.932   1.474   9.667
  448   2HE2  GLN  58          HE21      GLN  58  59.155   1.729   8.179
  449    H    GLU  59           HN       GLU  59  58.535  -3.403   8.648
  450    HA   GLU  59           HA       GLU  59  60.247  -2.983  10.761
  451   1HB   GLU  59           HB2      GLU  59  58.822  -5.015  10.077
  452   2HB   GLU  59           HB1      GLU  59  60.238  -5.554   9.174
  453   1HG   GLU  59           HG2      GLU  59  61.196  -4.794  11.716
  454   2HG   GLU  59           HG1      GLU  59  59.729  -5.729  12.014
  455    H    MET  60           HN       MET  60  61.237  -4.001   7.482
  456    HA   MET  60           HA       MET  60  64.022  -4.356   8.081
  457   1HB   MET  60           HB2      MET  60  62.295  -4.735   5.963
  458   2HB   MET  60           HB1      MET  60  63.316  -3.419   5.384
  459   1HG   MET  60           HG2      MET  60  64.573  -5.270   4.742
  460   2HG   MET  60           HG1      MET  60  65.269  -4.922   6.324
  461   1HE   MET  60           HE1      MET  60  66.227  -7.177   5.958
  462   2HE   MET  60           HE3      MET  60  65.879  -7.107   7.691
  463   3HE   MET  60           HE2      MET  60  65.534  -8.573   6.779
  464    H    ILE  61           HN       ILE  61  62.103  -1.506   7.275
  465    HA   ILE  61           HA       ILE  61  64.529   0.166   6.943
  466    HB   ILE  61           HB       ILE  61  61.569   0.838   6.884
  467   1HG1  ILE  61          HG12      ILE  61  63.234   0.577   4.416
  468   2HG1  ILE  61          HG11      ILE  61  62.711  -0.911   5.205
  469   1HG2  ILE  61          HG23      ILE  61  63.772   2.520   6.982
  470   2HG2  ILE  61          HG22      ILE  61  63.436   2.399   5.256
  471   3HG2  ILE  61          HG21      ILE  61  62.179   2.954   6.360
  472   1HD1  ILE  61          HD13      ILE  61  60.379   0.413   5.263
  473   2HD1  ILE  61          HD12      ILE  61  61.086   1.184   3.844
  474   3HD1  ILE  61          HD11      ILE  61  60.864  -0.565   3.877
  475    H    ASP  62           HN       ASP  62  62.713  -0.959   9.521
  476    HA   ASP  62           HA       ASP  62  63.110   1.541  11.121
  477   1HB   ASP  62           HB2      ASP  62  60.927  -0.093  10.758
  478   2HB   ASP  62           HB1      ASP  62  61.606  -0.731  12.257
  479    H    GLU  63           HN       GLU  63  64.655  -1.331  10.460
  480    HA   GLU  63           HA       GLU  63  65.629  -1.732  13.254
  481   1HB   GLU  63           HB2      GLU  63  65.545  -3.342  10.710
  482   2HB   GLU  63           HB1      GLU  63  66.646  -3.798  12.011
  483   1HG   GLU  63           HG2      GLU  63  63.690  -3.329  12.458
  484   2HG   GLU  63           HG1      GLU  63  64.359  -4.916  12.077
  485    H    VAL  64           HN       VAL  64  66.672  -0.803  10.010
  486    HA   VAL  64           HA       VAL  64  69.504  -0.640  10.919
  487    HB   VAL  64           HB       VAL  64  68.633  -1.705   8.724
  488   1HG1  VAL  64          HG12      VAL  64  67.269   0.568   8.383
  489   2HG1  VAL  64          HG11      VAL  64  68.764   1.053   7.583
  490   3HG1  VAL  64          HG13      VAL  64  67.874  -0.357   7.010
  491   1HG2  VAL  64          HG21      VAL  64  70.969  -0.098   9.314
  492   2HG2  VAL  64          HG23      VAL  64  70.851  -1.566   8.345
  493   3HG2  VAL  64          HG22      VAL  64  70.573   0.006   7.599
  494    H    ASP  65           HN       ASP  65  66.735   1.362  10.207
  495    HA   ASP  65           HA       ASP  65  67.957   3.843   9.578
  496   1HB   ASP  65           HB2      ASP  65  65.419   2.801  10.143
  497   2HB   ASP  65           HB1      ASP  65  65.660   4.051  11.364
  498    H    GLU  66           HN       GLU  66  69.598   4.739  10.787
  499    HA   GLU  66           HA       GLU  66  69.617   4.397  13.738
  500   1HB   GLU  66           HB2      GLU  66  71.528   4.343  11.763
  501   2HB   GLU  66           HB1      GLU  66  71.713   5.980  12.393
  502   1HG   GLU  66           HG2      GLU  66  72.927   5.081  14.068
  503   2HG   GLU  66           HG1      GLU  66  71.418   4.399  14.675
  504    H    ASP  67           HN       ASP  67  68.071   6.460  11.743
  505    HA   ASP  67           HA       ASP  67  68.647   8.876  13.425
  506   1HB   ASP  67           HB2      ASP  67  67.689  10.074  11.415
  507   2HB   ASP  67           HB1      ASP  67  69.166   9.171  11.074
  508    H    GLY  68           HN       GLY  68  66.251   6.546  12.510
  509   1HA   GLY  68           HA2      GLY  68  64.059   6.243  13.306
  510   2HA   GLY  68           HA1      GLY  68  64.366   7.548  14.454
  511    H    SER  69           HN       SER  69  64.861   8.108  11.052
  512    HA   SER  69           HA       SER  69  62.897  10.270  11.060
  513   1HB   SER  69           HB2      SER  69  63.677  10.331   8.611
  514   2HB   SER  69           HB1      SER  69  64.924  10.559   9.832
  515    HG   SER  69           HG       SER  69  65.315   8.966   8.077
  516    H    GLY  70           HN       GLY  70  63.210   7.191   9.244
  517   1HA   GLY  70           HA2      GLY  70  61.174   5.760   9.058
  518   2HA   GLY  70           HA1      GLY  70  60.239   7.246   8.890
  519    H    THR  71           HN       THR  71  63.141   7.609   7.261
  520    HA   THR  71           HA       THR  71  61.886   6.739   4.676
  521    HB   THR  71           HB       THR  71  63.255   8.750   3.802
  522    HG1  THR  71           HG1      THR  71  63.686  10.283   5.450
  523   1HG2  THR  71          HG22      THR  71  60.718   8.594   4.349
  524   2HG2  THR  71          HG21      THR  71  61.125   9.552   5.772
  525   3HG2  THR  71          HG23      THR  71  61.436  10.193   4.160
  526    H    VAL  72           HN       VAL  72  63.583   6.341   2.942
  527    HA   VAL  72           HA       VAL  72  66.048   5.143   4.156
  528    HB   VAL  72           HB       VAL  72  64.780   4.371   1.528
  529   1HG1  VAL  72          HG12      VAL  72  67.092   3.604   2.782
  530   2HG1  VAL  72          HG11      VAL  72  65.959   2.371   3.335
  531   3HG1  VAL  72          HG13      VAL  72  66.217   2.621   1.609
  532   1HG2  VAL  72          HG21      VAL  72  63.678   4.033   4.218
  533   2HG2  VAL  72          HG23      VAL  72  62.924   3.720   2.655
  534   3HG2  VAL  72          HG22      VAL  72  63.942   2.490   3.405
  535    H    ASP  73           HN       ASP  73  67.655   6.673   3.769
  536    HA   ASP  73           HA       ASP  73  67.704   8.149   1.200
  537   1HB   ASP  73           HB2      ASP  73  68.309   8.763   3.796
  538   2HB   ASP  73           HB1      ASP  73  69.912   8.394   3.158
  539    H    PHE  74           HN       PHE  74  69.975   8.281   0.137
  540    HA   PHE  74           HA       PHE  74  70.776   5.860  -0.974
  541   1HB   PHE  74           HB2      PHE  74  71.419   8.321  -1.468
  542   2HB   PHE  74           HB1      PHE  74  72.719   8.073  -0.302
  543    HD1  PHE  74           HD2      PHE  74  71.238   6.714  -3.447
  544    HD2  PHE  74           HD1      PHE  74  74.694   6.915  -0.905
  545    HE1  PHE  74           HE2      PHE  74  72.583   5.567  -5.186
  546    HE2  PHE  74           HE1      PHE  74  76.039   5.768  -2.643
  547    HZ   PHE  74           HZ       PHE  74  74.984   5.093  -4.784
  548    H    ASP  75           HN       ASP  75  71.945   7.337   2.049
  549    HA   ASP  75           HA       ASP  75  74.046   5.446   2.570
  550   1HB   ASP  75           HB2      ASP  75  72.320   7.062   4.475
  551   2HB   ASP  75           HB1      ASP  75  73.923   6.413   4.823
  552    H    GLU  76           HN       GLU  76  70.960   5.707   4.366
  553    HA   GLU  76           HA       GLU  76  71.052   3.085   5.472
  554   1HB   GLU  76           HB2      GLU  76  68.777   4.985   4.825
  555   2HB   GLU  76           HB1      GLU  76  68.600   3.557   5.846
  556   1HG   GLU  76           HG2      GLU  76  69.975   4.433   7.532
  557   2HG   GLU  76           HG1      GLU  76  70.746   5.582   6.439
  558    H    PHE  77           HN       PHE  77  69.584   4.305   2.467
  559    HA   PHE  77           HA       PHE  77  68.055   2.124   1.639
  560   1HB   PHE  77           HB2      PHE  77  68.302   4.287   0.470
  561   2HB   PHE  77           HB1      PHE  77  69.949   3.852   0.013
  562    HD1  PHE  77           HD2      PHE  77  67.106   1.481   0.159
  563    HD2  PHE  77           HD1      PHE  77  69.652   3.832  -2.378
  564    HE1  PHE  77           HE2      PHE  77  66.239   0.275  -1.826
  565    HE2  PHE  77           HE1      PHE  77  68.784   2.627  -4.364
  566    HZ   PHE  77           HZ       PHE  77  67.078   0.849  -4.088
  567    H    LEU  78           HN       LEU  78  71.579   2.567   1.135
  568    HA   LEU  78           HA       LEU  78  71.942  -0.013  -0.131
  569   1HB   LEU  78           HB2      LEU  78  73.628   2.195   0.995
  570   2HB   LEU  78           HB1      LEU  78  74.401   0.650   0.638
  571    HG   LEU  78           HG       LEU  78  72.819   2.363  -1.301
  572   1HD1  LEU  78          HD12      LEU  78  75.741   1.718  -0.921
  573   2HD1  LEU  78          HD11      LEU  78  75.119   2.215  -2.494
  574   3HD1  LEU  78          HD13      LEU  78  74.979   3.297  -1.109
  575   1HD2  LEU  78          HD21      LEU  78  73.740  -0.474  -1.365
  576   2HD2  LEU  78          HD23      LEU  78  72.341   0.270  -2.141
  577   3HD2  LEU  78          HD22      LEU  78  73.947   0.467  -2.842
  578    H    VAL  79           HN       VAL  79  72.726   1.205   3.154
  579    HA   VAL  79           HA       VAL  79  73.801  -1.097   4.307
  580    HB   VAL  79           HB       VAL  79  71.846   0.945   5.417
  581   1HG1  VAL  79          HG12      VAL  79  72.089  -1.227   6.748
  582   2HG1  VAL  79          HG11      VAL  79  73.778  -0.777   6.986
  583   3HG1  VAL  79          HG13      VAL  79  72.493   0.256   7.613
  584   1HG2  VAL  79          HG22      VAL  79  73.959   1.856   4.495
  585   2HG2  VAL  79          HG21      VAL  79  73.898   2.029   6.250
  586   3HG2  VAL  79          HG23      VAL  79  74.876   0.753   5.523
  587    H    MET  80           HN       MET  80  70.330  -0.287   3.959
  588    HA   MET  80           HA       MET  80  69.256  -2.586   5.243
  589   1HB   MET  80           HB2      MET  80  68.371  -0.317   3.892
  590   2HB   MET  80           HB1      MET  80  67.789  -1.645   2.887
  591   1HG   MET  80           HG2      MET  80  67.372  -2.310   5.652
  592   2HG   MET  80           HG1      MET  80  66.686  -0.717   5.331
  593   1HE   MET  80           HE2      MET  80  65.909  -0.234   3.092
  594   2HE   MET  80           HE1      MET  80  65.540  -1.430   1.851
  595   3HE   MET  80           HE3      MET  80  64.253  -0.802   2.893
  596    H    MET  81           HN       MET  81  70.356  -2.069   1.907
  597    HA   MET  81           HA       MET  81  69.475  -4.647   0.914
  598   1HB   MET  81           HB2      MET  81  71.261  -2.392   0.045
  599   2HB   MET  81           HB1      MET  81  71.298  -3.908  -0.859
  600   1HG   MET  81           HG2      MET  81  68.594  -3.487  -0.556
  601   2HG   MET  81           HG1      MET  81  69.204  -1.843  -0.748
  602   1HE   MET  81           HE2      MET  81  67.411  -2.258  -2.342
  603   2HE   MET  81           HE1      MET  81  67.993  -1.910  -3.968
  604   3HE   MET  81           HE3      MET  81  67.390  -3.524  -3.567
  605    H    VAL  82           HN       VAL  82  72.822  -3.428   1.350
  606    HA   VAL  82           HA       VAL  82  74.195  -5.856   1.199
  607    HB   VAL  82           HB       VAL  82  75.321  -3.726   1.313
  608   1HG1  VAL  82          HG13      VAL  82  73.406  -3.083   3.194
  609   2HG1  VAL  82          HG12      VAL  82  74.868  -3.215   4.171
  610   3HG1  VAL  82          HG11      VAL  82  74.816  -2.098   2.809
  611   1HG2  VAL  82          HG21      VAL  82  76.107  -5.923   2.787
  612   2HG2  VAL  82          HG23      VAL  82  77.112  -4.509   2.467
  613   3HG2  VAL  82          HG22      VAL  82  76.200  -4.619   3.972
  614    H    ARG  83           HN       ARG  83  72.262  -4.600   3.860
  615    HA   ARG  83           HA       ARG  83  73.194  -6.253   5.980
  616   1HB   ARG  83           HB2      ARG  83  70.776  -4.694   5.244
  617   2HB   ARG  83           HB1      ARG  83  70.542  -5.920   6.490
  618   1HG   ARG  83           HG2      ARG  83  72.985  -4.589   7.075
  619   2HG   ARG  83           HG1      ARG  83  71.781  -3.345   6.737
  620   1HD   ARG  83           HD2      ARG  83  70.216  -4.640   8.313
  621   2HD   ARG  83           HD1      ARG  83  71.663  -5.527   8.832
  622    HE   ARG  83           HE       ARG  83  72.308  -2.763   8.842
  623   1HH1  ARG  83          HH21      ARG  83  69.379  -3.577  10.007
  624   2HH1  ARG  83          HH22      ARG  83  69.733  -3.349  11.687
  625   1HH2  ARG  83          HH11      ARG  83  73.155  -3.077  11.206
  626   2HH2  ARG  83          HH12      ARG  83  71.869  -3.068  12.366
  627    H    CYS  84           HN       CYS  84  70.511  -6.804   3.669
  628    HA   CYS  84           HA       CYS  84  69.957  -9.484   4.648
  629   1HB   CYS  84           HB2      CYS  84  68.913  -7.528   2.813
  630   2HB   CYS  84           HB1      CYS  84  69.007  -9.089   1.998
  631    HG   CYS  84           HG       CYS  84  66.974  -9.693   3.268
  632    H    MET  85           HN       MET  85  72.217  -8.141   2.363
  633    HA   MET  85           HA       MET  85  72.593 -10.480   0.712
  634   1HB   MET  85           HB2      MET  85  74.423  -8.163   1.426
  635   2HB   MET  85           HB1      MET  85  74.653  -9.255   0.060
  636   1HG   MET  85           HG2      MET  85  72.120  -8.519  -0.437
  637   2HG   MET  85           HG1      MET  85  72.651  -7.078   0.430
  638   1HE   MET  85           HE1      MET  85  73.011  -5.342  -0.634
  639   2HE   MET  85           HE3      MET  85  73.871  -5.018  -2.147
  640   3HE   MET  85           HE2      MET  85  72.235  -5.672  -2.181
  641    H    LYS  86           HN       LYS  86  74.001  -9.399   3.780
  642    HA   LYS  86           HA       LYS  86  76.195 -11.229   3.910
  643   1HB   LYS  86           HB2      LYS  86  74.537  -9.585   5.772
  644   2HB   LYS  86           HB1      LYS  86  75.564 -10.827   6.490
  645   1HG   LYS  86           HG2      LYS  86  77.502  -9.891   5.204
  646   2HG   LYS  86           HG1      LYS  86  76.453  -8.580   4.660
  647   1HD   LYS  86           HD2      LYS  86  76.115  -7.811   6.921
  648   2HD   LYS  86           HD1      LYS  86  76.931  -9.228   7.580
  649   1HE   LYS  86           HE2      LYS  86  78.753  -8.062   5.745
  650   2HE   LYS  86           HE1      LYS  86  78.103  -6.736   6.728
  651   1HZ   LYS  86           HZ3      LYS  86  79.132  -9.314   7.790
  652   2HZ   LYS  86           HZ2      LYS  86  79.965  -7.834   7.841
  653   3HZ   LYS  86           HZ1      LYS  86  78.521  -8.031   8.716
  654    H    ASP  87           HN       ASP  87  72.759 -11.663   4.419
  655    HA   ASP  87           HA       ASP  87  72.735 -13.979   6.060
  656   1HB   ASP  87           HB2      ASP  87  70.894 -12.385   5.000
  657   2HB   ASP  87           HB1      ASP  87  70.839 -13.639   3.762
  658    H    ASP  88           HN       ASP  88  73.009 -13.681   2.511
  659    HA   ASP  88           HA       ASP  88  73.684 -15.267   0.893
  660   1HB   ASP  88           HB2      ASP  88  75.167 -15.793   3.421
  661   2HB   ASP  88           HB1      ASP  88  75.260 -17.045   2.182
  662    H    SER  89           HN       SER  89  71.113 -15.767   1.722
  663    HA   SER  89           HA       SER  89  69.504 -17.498   1.764
  664   1HB   SER  89           HB2      SER  89  71.131 -18.216  -0.074
  665   2HB   SER  89           HB1      SER  89  71.882 -19.264   1.126
  666    HG   SER  89           HG       SER  89  69.467 -19.487  -0.188
   
  No H/Q in entry =         666
  Start of MODEL   11
    1   1H    MET   1           HT2      MET   1  81.914  -5.231  17.487
    2   2H    MET   1           HT1      MET   1  83.505  -5.607  17.949
    3   3H    MET   1           HT3      MET   1  82.902  -4.039  18.182
    4    HA   MET   1           HA       MET   1  84.111  -3.700  16.274
    5   1HB   MET   1           HB2      MET   1  84.033  -6.511  16.389
    6   2HB   MET   1           HB1      MET   1  83.410  -6.097  14.792
    7   1HG   MET   1           HG2      MET   1  85.874  -4.717  15.809
    8   2HG   MET   1           HG1      MET   1  86.006  -6.348  15.151
    9   1HE   MET   1           HE2      MET   1  87.674  -4.851  14.083
   10   2HE   MET   1           HE1      MET   1  87.472  -4.578  12.353
   11   3HE   MET   1           HE3      MET   1  87.215  -3.254  13.498
   12    H    ASP   2           HN       ASP   2  81.824  -2.472  16.517
   13    HA   ASP   2           HA       ASP   2  79.677  -3.242  14.747
   14   1HB   ASP   2           HB2      ASP   2  79.895  -1.579  16.799
   15   2HB   ASP   2           HB1      ASP   2  80.270  -0.407  15.535
   16    H    ASP   3           HN       ASP   3  79.215  -0.854  13.302
   17    HA   ASP   3           HA       ASP   3  79.780   0.211  11.267
   18   1HB   ASP   3           HB2      ASP   3  82.205  -0.112  12.859
   19   2HB   ASP   3           HB1      ASP   3  82.556  -0.098  11.131
   20    H    ILE   4           HN       ILE   4  79.631  -2.908  11.653
   21    HA   ILE   4           HA       ILE   4  81.319  -4.026   9.575
   22    HB   ILE   4           HB       ILE   4  78.767  -4.987  10.913
   23   1HG1  ILE   4          HG12      ILE   4  81.637  -5.749  11.513
   24   2HG1  ILE   4          HG11      ILE   4  80.799  -4.453  12.368
   25   1HG2  ILE   4          HG22      ILE   4  80.336  -6.074   8.746
   26   2HG2  ILE   4          HG21      ILE   4  80.445  -7.134  10.152
   27   3HG2  ILE   4          HG23      ILE   4  78.868  -6.720   9.480
   28   1HD1  ILE   4          HD11      ILE   4  79.872  -7.336  12.203
   29   2HD1  ILE   4          HD13      ILE   4  80.626  -6.580  13.607
   30   3HD1  ILE   4          HD12      ILE   4  79.039  -6.038  13.057
   31    H    TYR   5           HN       TYR   5  77.773  -3.459   9.702
   32    HA   TYR   5           HA       TYR   5  77.295  -4.030   6.940
   33   1HB   TYR   5           HB2      TYR   5  75.886  -2.472   9.108
   34   2HB   TYR   5           HB1      TYR   5  75.193  -2.619   7.493
   35    HD1  TYR   5           HD2      TYR   5  76.206  -4.459  10.532
   36    HD2  TYR   5           HD1      TYR   5  74.359  -4.741   6.663
   37    HE1  TYR   5           HE2      TYR   5  75.365  -6.722  11.098
   38    HE2  TYR   5           HE1      TYR   5  73.518  -7.004   7.228
   39    HH   TYR   5           HH       TYR   5  73.325  -8.186  10.265
   40    H    LYS   6           HN       LYS   6  77.683  -0.883   8.620
   41    HA   LYS   6           HA       LYS   6  77.351   0.929   6.565
   42   1HB   LYS   6           HB2      LYS   6  78.545   0.826   9.100
   43   2HB   LYS   6           HB1      LYS   6  79.811   1.449   8.040
   44   1HG   LYS   6           HG2      LYS   6  77.746   2.913   7.129
   45   2HG   LYS   6           HG1      LYS   6  77.196   2.663   8.786
   46   1HD   LYS   6           HD2      LYS   6  78.522   4.432   9.294
   47   2HD   LYS   6           HD1      LYS   6  79.853   3.281   9.153
   48   1HE   LYS   6           HE2      LYS   6  79.544   3.921   6.537
   49   2HE   LYS   6           HE1      LYS   6  79.030   5.446   7.288
   50   1HZ   LYS   6           HZ2      LYS   6  81.039   5.172   8.774
   51   2HZ   LYS   6           HZ1      LYS   6  81.576   3.982   7.686
   52   3HZ   LYS   6           HZ3      LYS   6  81.362   5.580   7.157
   53    H    ALA   7           HN       ALA   7  80.408  -0.823   7.242
   54    HA   ALA   7           HA       ALA   7  81.859   0.178   4.992
   55   1HB   ALA   7           HB3      ALA   7  82.086  -1.796   7.101
   56   2HB   ALA   7           HB2      ALA   7  82.720  -2.446   5.589
   57   3HB   ALA   7           HB1      ALA   7  83.373  -0.945   6.244
   58    H    ALA   8           HN       ALA   8  79.756  -2.673   5.378
   59    HA   ALA   8           HA       ALA   8  80.201  -4.072   3.013
   60   1HB   ALA   8           HB2      ALA   8  78.325  -3.987   5.052
   61   2HB   ALA   8           HB1      ALA   8  77.361  -3.633   3.620
   62   3HB   ALA   8           HB3      ALA   8  78.303  -5.120   3.701
   63    H    VAL   9           HN       VAL   9  77.926  -1.321   3.405
   64    HA   VAL   9           HA       VAL   9  77.128  -1.101   0.692
   65    HB   VAL   9           HB       VAL   9  77.436   0.831   2.996
   66   1HG1  VAL   9          HG12      VAL   9  76.652   1.353   0.151
   67   2HG1  VAL   9          HG11      VAL   9  75.800   2.212   1.435
   68   3HG1  VAL   9          HG13      VAL   9  77.547   2.381   1.270
   69   1HG2  VAL   9          HG23      VAL   9  75.223  -0.753   1.718
   70   2HG2  VAL   9          HG22      VAL   9  75.639  -0.604   3.425
   71   3HG2  VAL   9          HG21      VAL   9  74.838   0.728   2.593
   72    H    GLU  10           HN       GLU  10  79.947   0.240   2.393
   73    HA   GLU  10           HA       GLU  10  80.892   1.786   0.112
   74   1HB   GLU  10           HB2      GLU  10  81.335   1.681   2.827
   75   2HB   GLU  10           HB1      GLU  10  82.803   0.937   2.194
   76   1HG   GLU  10           HG2      GLU  10  83.527   2.872   1.219
   77   2HG   GLU  10           HG1      GLU  10  81.895   3.383   0.789
   78    H    GLN  11           HN       GLN  11  81.385  -1.478   1.348
   79    HA   GLN  11           HA       GLN  11  83.746  -2.154  -0.133
   80   1HB   GLN  11           HB2      GLN  11  81.682  -3.397   1.501
   81   2HB   GLN  11           HB1      GLN  11  82.149  -4.447   0.163
   82   1HG   GLN  11           HG2      GLN  11  84.061  -4.971   1.220
   83   2HG   GLN  11           HG1      GLN  11  84.522  -3.269   1.252
   84   1HE2  GLN  11          HE21      GLN  11  85.175  -2.921   3.398
   85   2HE2  GLN  11          HE22      GLN  11  84.239  -3.312   4.760
   86    H    LEU  12           HN       LEU  12  80.378  -1.877  -1.043
   87    HA   LEU  12           HA       LEU  12  80.187  -3.534  -3.303
   88   1HB   LEU  12           HB2      LEU  12  79.128  -0.755  -2.711
   89   2HB   LEU  12           HB1      LEU  12  78.567  -1.734  -4.067
   90    HG   LEU  12           HG       LEU  12  78.511  -2.668  -1.187
   91   1HD1  LEU  12          HD12      LEU  12  76.441  -1.282  -2.894
   92   2HD1  LEU  12          HD11      LEU  12  75.981  -2.313  -1.540
   93   3HD1  LEU  12          HD13      LEU  12  76.961  -0.874  -1.259
   94   1HD2  LEU  12          HD21      LEU  12  77.532  -3.743  -3.828
   95   2HD2  LEU  12          HD23      LEU  12  78.465  -4.568  -2.579
   96   3HD2  LEU  12          HD22      LEU  12  76.753  -4.228  -2.320
   97    H    THR  13           HN       THR  13  79.949  -2.285  -5.624
   98    HA   THR  13           HA       THR  13  82.674  -1.178  -6.163
   99    HB   THR  13           HB       THR  13  81.821  -1.825  -8.571
  100    HG1  THR  13           HG1      THR  13  80.292  -3.693  -7.198
  101   1HG2  THR  13          HG21      THR  13  83.521  -3.001  -6.983
  102   2HG2  THR  13          HG23      THR  13  82.207  -4.141  -6.688
  103   3HG2  THR  13          HG22      THR  13  82.838  -3.926  -8.321
  104    H    GLU  14           HN       GLU  14  82.863   0.742  -7.449
  105    HA   GLU  14           HA       GLU  14  81.032   2.837  -6.999
  106   1HB   GLU  14           HB2      GLU  14  83.354   2.242  -8.721
  107   2HB   GLU  14           HB1      GLU  14  82.301   3.515  -9.341
  108   1HG   GLU  14           HG2      GLU  14  82.649   4.893  -7.488
  109   2HG   GLU  14           HG1      GLU  14  83.113   3.544  -6.449
  110    H    GLU  15           HN       GLU  15  81.443   0.953 -10.030
  111    HA   GLU  15           HA       GLU  15  79.301   2.102 -11.482
  112   1HB   GLU  15           HB2      GLU  15  79.403  -0.183 -12.657
  113   2HB   GLU  15           HB1      GLU  15  80.918   0.716 -12.561
  114   1HG   GLU  15           HG2      GLU  15  81.808  -0.687 -10.933
  115   2HG   GLU  15           HG1      GLU  15  80.220  -1.191 -10.356
  116    H    GLN  16           HN       GLN  16  79.261  -0.288  -8.906
  117    HA   GLN  16           HA       GLN  16  76.516  -1.170  -9.440
  118   1HB   GLN  16           HB2      GLN  16  77.999  -2.734  -8.430
  119   2HB   GLN  16           HB1      GLN  16  78.567  -1.550  -7.251
  120   1HG   GLN  16           HG2      GLN  16  76.886  -2.037  -5.826
  121   2HG   GLN  16           HG1      GLN  16  75.679  -1.905  -7.104
  122   1HE2  GLN  16          HE22      GLN  16  75.537  -5.398  -7.702
  123   2HE2  GLN  16          HE21      GLN  16  75.064  -3.859  -8.241
  124    H    LYS  17           HN       LYS  17  78.112   0.864  -6.964
  125    HA   LYS  17           HA       LYS  17  75.660   1.571  -5.612
  126   1HB   LYS  17           HB2      LYS  17  78.415   2.838  -5.747
  127   2HB   LYS  17           HB1      LYS  17  77.177   3.271  -4.566
  128   1HG   LYS  17           HG2      LYS  17  77.425   1.320  -3.387
  129   2HG   LYS  17           HG1      LYS  17  77.803   0.375  -4.827
  130   1HD   LYS  17           HD2      LYS  17  79.925   0.428  -3.996
  131   2HD   LYS  17           HD1      LYS  17  79.963   2.029  -4.738
  132   1HE   LYS  17           HE2      LYS  17  78.757   1.958  -2.034
  133   2HE   LYS  17           HE1      LYS  17  80.494   1.596  -2.094
  134   1HZ   LYS  17           HZ2      LYS  17  79.520   3.762  -3.791
  135   2HZ   LYS  17           HZ1      LYS  17  79.583   4.073  -2.122
  136   3HZ   LYS  17           HZ3      LYS  17  80.991   3.620  -2.952
  137    H    ASN  18           HN       ASN  18  77.378   2.865  -8.392
  138    HA   ASN  18           HA       ASN  18  76.088   5.453  -8.449
  139   1HB   ASN  18           HB2      ASN  18  77.859   3.768 -10.084
  140   2HB   ASN  18           HB1      ASN  18  76.806   4.809 -11.042
  141   1HD2  ASN  18          HD22      ASN  18  80.019   6.485  -9.512
  142   2HD2  ASN  18          HD21      ASN  18  79.839   4.844  -9.907
  143    H    GLU  19           HN       GLU  19  75.108   2.245  -9.372
  144    HA   GLU  19           HA       GLU  19  73.040   3.052 -11.267
  145   1HB   GLU  19           HB2      GLU  19  73.965   0.877 -11.500
  146   2HB   GLU  19           HB1      GLU  19  73.821   0.542  -9.775
  147   1HG   GLU  19           HG2      GLU  19  71.446   0.334  -9.913
  148   2HG   GLU  19           HG1      GLU  19  71.411   1.021 -11.538
  149    H    PHE  20           HN       PHE  20  73.125   2.078  -7.838
  150    HA   PHE  20           HA       PHE  20  70.332   2.075  -7.317
  151   1HB   PHE  20           HB2      PHE  20  72.755   2.769  -5.628
  152   2HB   PHE  20           HB1      PHE  20  71.144   2.510  -4.960
  153    HD1  PHE  20           HD1      PHE  20  70.165   0.313  -6.713
  154    HD2  PHE  20           HD2      PHE  20  73.984   0.903  -4.836
  155    HE1  PHE  20           HE1      PHE  20  70.550  -2.137  -6.727
  156    HE2  PHE  20           HE2      PHE  20  74.369  -1.547  -4.850
  157    HZ   PHE  20           HZ       PHE  20  72.653  -3.067  -5.795
  158    H    LYS  21           HN       LYS  21  72.649   4.741  -7.515
  159    HA   LYS  21           HA       LYS  21  71.173   6.806  -6.271
  160   1HB   LYS  21           HB2      LYS  21  73.515   6.931  -7.035
  161   2HB   LYS  21           HB1      LYS  21  72.974   6.869  -8.714
  162   1HG   LYS  21           HG2      LYS  21  71.979   9.000  -8.603
  163   2HG   LYS  21           HG1      LYS  21  71.935   8.987  -6.839
  164   1HD   LYS  21           HD2      LYS  21  74.477   8.967  -6.891
  165   2HD   LYS  21           HD1      LYS  21  74.361   9.296  -8.620
  166   1HE   LYS  21           HE2      LYS  21  72.795  11.036  -6.741
  167   2HE   LYS  21           HE1      LYS  21  74.541  11.312  -6.908
  168   1HZ   LYS  21           HZ3      LYS  21  72.724  10.986  -9.229
  169   2HZ   LYS  21           HZ2      LYS  21  73.119  12.503  -8.578
  170   3HZ   LYS  21           HZ1      LYS  21  74.333  11.518  -9.242
  171    H    ALA  22           HN       ALA  22  71.220   5.985  -9.770
  172    HA   ALA  22           HA       ALA  22  69.313   7.810 -10.695
  173   1HB   ALA  22           HB3      ALA  22  70.601   5.403 -11.533
  174   2HB   ALA  22           HB2      ALA  22  68.889   5.254 -11.926
  175   3HB   ALA  22           HB1      ALA  22  69.819   6.618 -12.545
  176    H    ALA  23           HN       ALA  23  68.546   4.419  -9.808
  177    HA   ALA  23           HA       ALA  23  65.737   4.641  -9.849
  178   1HB   ALA  23           HB3      ALA  23  67.788   2.938  -8.493
  179   2HB   ALA  23           HB2      ALA  23  66.109   2.765  -7.987
  180   3HB   ALA  23           HB1      ALA  23  66.556   2.480  -9.668
  181    H    PHE  24           HN       PHE  24  68.011   5.431  -7.221
  182    HA   PHE  24           HA       PHE  24  66.211   5.761  -5.083
  183   1HB   PHE  24           HB2      PHE  24  68.655   5.887  -4.913
  184   2HB   PHE  24           HB1      PHE  24  68.662   7.373  -5.863
  185    HD1  PHE  24           HD1      PHE  24  67.150   9.320  -4.954
  186    HD2  PHE  24           HD2      PHE  24  68.549   6.028  -2.578
  187    HE1  PHE  24           HE1      PHE  24  66.775  10.649  -2.894
  188    HE2  PHE  24           HE2      PHE  24  68.172   7.354  -0.517
  189    HZ   PHE  24           HZ       PHE  24  67.285   9.665  -0.675
  190    H    ASP  25           HN       ASP  25  67.200   8.226  -7.501
  191    HA   ASP  25           HA       ASP  25  65.440  10.279  -6.492
  192   1HB   ASP  25           HB2      ASP  25  67.097   9.732  -8.922
  193   2HB   ASP  25           HB1      ASP  25  65.905  11.029  -9.016
  194    H    ILE  26           HN       ILE  26  64.842   7.435  -8.323
  195    HA   ILE  26           HA       ILE  26  62.534   8.453  -9.801
  196    HB   ILE  26           HB       ILE  26  63.664   5.708  -9.212
  197   1HG1  ILE  26          HG12      ILE  26  63.843   7.689 -11.484
  198   2HG1  ILE  26          HG11      ILE  26  65.156   6.882 -10.627
  199   1HG2  ILE  26          HG21      ILE  26  61.129   5.865  -9.698
  200   2HG2  ILE  26          HG23      ILE  26  61.607   6.363 -11.320
  201   3HG2  ILE  26          HG22      ILE  26  62.083   4.780 -10.709
  202   1HD1  ILE  26          HD12      ILE  26  64.457   4.722 -11.600
  203   2HD1  ILE  26          HD11      ILE  26  63.158   5.539 -12.468
  204   3HD1  ILE  26          HD13      ILE  26  64.841   5.895 -12.860
  205    H    PHE  27           HN       PHE  27  63.098   6.846  -6.700
  206    HA   PHE  27           HA       PHE  27  60.304   6.153  -6.245
  207   1HB   PHE  27           HB2      PHE  27  62.547   6.516  -4.241
  208   2HB   PHE  27           HB1      PHE  27  61.147   5.450  -4.105
  209    HD1  PHE  27           HD1      PHE  27  60.933   4.060  -6.579
  210    HD2  PHE  27           HD2      PHE  27  64.500   5.269  -4.512
  211    HE1  PHE  27           HE1      PHE  27  62.200   2.250  -7.705
  212    HE2  PHE  27           HE2      PHE  27  65.765   3.459  -5.637
  213    HZ   PHE  27           HZ       PHE  27  64.616   1.949  -7.233
  214    H    VAL  28           HN       VAL  28  62.113   9.059  -6.057
  215    HA   VAL  28           HA       VAL  28  60.106  10.280  -4.204
  216    HB   VAL  28           HB       VAL  28  61.985  12.052  -4.099
  217   1HG1  VAL  28          HG12      VAL  28  62.257   9.232  -3.053
  218   2HG1  VAL  28          HG11      VAL  28  63.360  10.521  -2.571
  219   3HG1  VAL  28          HG13      VAL  28  61.639  10.651  -2.206
  220   1HG2  VAL  28          HG23      VAL  28  63.035  10.711  -6.194
  221   2HG2  VAL  28          HG22      VAL  28  64.025  11.632  -5.061
  222   3HG2  VAL  28          HG21      VAL  28  63.864   9.885  -4.874
  223    H    LEU  29           HN       LEU  29  59.842   9.788  -7.172
  224    HA   LEU  29           HA       LEU  29  60.235  11.985  -8.826
  225   1HB   LEU  29           HB2      LEU  29  58.109   9.905  -8.485
  226   2HB   LEU  29           HB1      LEU  29  57.818  11.202  -9.644
  227    HG   LEU  29           HG       LEU  29  60.211   9.339  -9.605
  228   1HD1  LEU  29          HD13      LEU  29  57.868   9.653 -11.507
  229   2HD1  LEU  29          HD12      LEU  29  59.277   8.639 -11.818
  230   3HD1  LEU  29          HD11      LEU  29  58.202   8.264 -10.472
  231   1HD2  LEU  29          HD21      LEU  29  59.727  11.956 -10.851
  232   2HD2  LEU  29          HD23      LEU  29  61.242  11.080 -10.635
  233   3HD2  LEU  29          HD22      LEU  29  60.199  10.711 -12.007
  234    H    GLY  30           HN       GLY  30  57.383  11.496  -6.701
  235   1HA   GLY  30           HA2      GLY  30  56.808  14.411  -6.965
  236   2HA   GLY  30           HA1      GLY  30  55.630  13.193  -6.475
  237    H    ALA  31           HN       ALA  31  58.538  12.497  -4.980
  238    HA   ALA  31           HA       ALA  31  57.709  12.816  -2.342
  239   1HB   ALA  31           HB2      ALA  31  60.432  13.096  -3.644
  240   2HB   ALA  31           HB1      ALA  31  60.211  12.966  -1.899
  241   3HB   ALA  31           HB3      ALA  31  59.724  11.636  -2.951
  242    H    GLU  32           HN       GLU  32  58.724  14.477  -0.738
  243    HA   GLU  32           HA       GLU  32  58.241  17.213  -1.836
  244   1HB   GLU  32           HB2      GLU  32  57.705  17.763   0.475
  245   2HB   GLU  32           HB1      GLU  32  56.858  16.276   0.044
  246   1HG   GLU  32           HG2      GLU  32  59.138  15.193   0.961
  247   2HG   GLU  32           HG1      GLU  32  59.144  16.680   1.910
  248    H    ASP  33           HN       ASP  33  60.633  15.197  -0.231
  249    HA   ASP  33           HA       ASP  33  62.544  17.509  -0.300
  250   1HB   ASP  33           HB2      ASP  33  63.552  16.502   1.706
  251   2HB   ASP  33           HB1      ASP  33  61.830  16.783   1.974
  252    H    GLY  34           HN       GLY  34  62.069  14.025  -0.763
  253   1HA   GLY  34           HA2      GLY  34  63.252  13.107  -2.801
  254   2HA   GLY  34           HA1      GLY  34  64.684  13.957  -2.219
  255    H    CYS  35           HN       CYS  35  62.300  11.952  -0.466
  256    HA   CYS  35           HA       CYS  35  64.583  10.190   0.372
  257   1HB   CYS  35           HB2      CYS  35  62.530  11.709   1.823
  258   2HB   CYS  35           HB1      CYS  35  62.640  10.026   2.336
  259    HG   CYS  35           HG       CYS  35  65.174  11.865   2.278
  260    H    ILE  36           HN       ILE  36  64.085   7.935   0.549
  261    HA   ILE  36           HA       ILE  36  61.605   7.113  -0.914
  262    HB   ILE  36           HB       ILE  36  63.895   5.264  -0.336
  263   1HG1  ILE  36          HG12      ILE  36  63.988   7.408  -2.488
  264   2HG1  ILE  36          HG11      ILE  36  64.964   7.420  -1.018
  265   1HG2  ILE  36          HG23      ILE  36  61.662   5.530  -2.211
  266   2HG2  ILE  36          HG22      ILE  36  63.185   5.152  -3.017
  267   3HG2  ILE  36          HG21      ILE  36  62.573   4.093  -1.747
  268   1HD1  ILE  36          HD11      ILE  36  65.057   4.905  -2.578
  269   2HD1  ILE  36          HD13      ILE  36  65.790   6.308  -3.357
  270   3HD1  ILE  36          HD12      ILE  36  66.359   5.781  -1.774
  271    H    SER  37           HN       SER  37  60.405   7.401   1.186
  272    HA   SER  37           HA       SER  37  60.985   5.950   3.567
  273   1HB   SER  37           HB2      SER  37  58.468   7.002   2.269
  274   2HB   SER  37           HB1      SER  37  58.450   6.260   3.865
  275    HG   SER  37           HG       SER  37  60.128   8.418   3.093
  276    H    THR  38           HN       THR  38  59.023   4.289   4.257
  277    HA   THR  38           HA       THR  38  59.531   1.880   2.702
  278    HB   THR  38           HB       THR  38  59.359   1.796   5.110
  279    HG1  THR  38           HG1      THR  38  58.001   0.125   5.225
  280   1HG2  THR  38          HG21      THR  38  56.864   3.345   4.576
  281   2HG2  THR  38          HG23      THR  38  56.899   2.290   5.988
  282   3HG2  THR  38          HG22      THR  38  58.087   3.583   5.824
  283    H    LYS  39           HN       LYS  39  56.922   4.231   2.926
  284    HA   LYS  39           HA       LYS  39  54.767   2.763   1.830
  285   1HB   LYS  39           HB2      LYS  39  53.993   5.030   1.121
  286   2HB   LYS  39           HB1      LYS  39  54.613   5.024   2.773
  287   1HG   LYS  39           HG2      LYS  39  56.892   5.644   1.668
  288   2HG   LYS  39           HG1      LYS  39  55.906   6.110   0.281
  289   1HD   LYS  39           HD2      LYS  39  54.585   7.617   1.719
  290   2HD   LYS  39           HD1      LYS  39  55.567   7.153   3.109
  291   1HE   LYS  39           HE2      LYS  39  57.060   8.760   2.552
  292   2HE   LYS  39           HE1      LYS  39  57.355   7.928   1.012
  293   1HZ   LYS  39           HZ2      LYS  39  55.232   8.956   0.220
  294   2HZ   LYS  39           HZ1      LYS  39  55.247   9.927   1.614
  295   3HZ   LYS  39           HZ3      LYS  39  56.498  10.059   0.478
  296    H    GLU  40           HN       GLU  40  57.414   4.502   0.184
  297    HA   GLU  40           HA       GLU  40  56.486   3.353  -2.419
  298   1HB   GLU  40           HB2      GLU  40  57.002   5.908  -1.745
  299   2HB   GLU  40           HB1      GLU  40  58.629   5.417  -2.213
  300   1HG   GLU  40           HG2      GLU  40  58.028   5.728  -4.360
  301   2HG   GLU  40           HG1      GLU  40  56.934   4.355  -4.190
  302    H    LEU  41           HN       LEU  41  57.897   1.672  -0.534
  303    HA   LEU  41           HA       LEU  41  60.549   1.386  -1.912
  304   1HB   LEU  41           HB2      LEU  41  59.695   1.468   0.875
  305   2HB   LEU  41           HB1      LEU  41  60.608   0.001   0.522
  306    HG   LEU  41           HG       LEU  41  61.488   2.858   0.018
  307   1HD1  LEU  41          HD11      LEU  41  61.697   1.991   2.347
  308   2HD1  LEU  41          HD13      LEU  41  62.667   0.652   1.733
  309   3HD1  LEU  41          HD12      LEU  41  63.264   2.307   1.601
  310   1HD2  LEU  41          HD23      LEU  41  62.201   0.412  -1.338
  311   2HD2  LEU  41          HD22      LEU  41  62.801   2.045  -1.624
  312   3HD2  LEU  41          HD21      LEU  41  63.591   1.011  -0.434
  313    H    GLY  42           HN       GLY  42  57.902  -0.442  -0.327
  314   1HA   GLY  42           HA2      GLY  42  58.621  -3.056  -0.916
  315   2HA   GLY  42           HA1      GLY  42  56.945  -2.501  -0.990
  316    H    LYS  43           HN       LYS  43  56.661  -1.000  -3.109
  317    HA   LYS  43           HA       LYS  43  56.823  -2.730  -5.372
  318   1HB   LYS  43           HB2      LYS  43  56.472   0.258  -5.005
  319   2HB   LYS  43           HB1      LYS  43  56.311  -0.528  -6.576
  320   1HG   LYS  43           HG2      LYS  43  54.170  -0.982  -6.044
  321   2HG   LYS  43           HG1      LYS  43  54.776  -2.085  -4.807
  322   1HD   LYS  43           HD2      LYS  43  54.314  -0.638  -3.113
  323   2HD   LYS  43           HD1      LYS  43  54.836   0.766  -4.044
  324   1HE   LYS  43           HE2      LYS  43  52.265  -0.667  -4.731
  325   2HE   LYS  43           HE1      LYS  43  52.309   0.602  -3.489
  326   1HZ   LYS  43           HZ2      LYS  43  53.392   2.070  -5.075
  327   2HZ   LYS  43           HZ1      LYS  43  53.327   0.865  -6.271
  328   3HZ   LYS  43           HZ3      LYS  43  51.892   1.551  -5.680
  329    H    VAL  44           HN       VAL  44  58.914  -0.064  -4.275
  330    HA   VAL  44           HA       VAL  44  60.663   0.069  -6.517
  331    HB   VAL  44           HB       VAL  44  61.017   0.552  -3.544
  332   1HG1  VAL  44          HG12      VAL  44  62.955   0.636  -5.767
  333   2HG1  VAL  44          HG11      VAL  44  62.892   2.111  -4.802
  334   3HG1  VAL  44          HG13      VAL  44  63.240   0.565  -4.029
  335   1HG2  VAL  44          HG21      VAL  44  60.384   2.277  -5.949
  336   2HG2  VAL  44          HG23      VAL  44  59.421   2.058  -4.489
  337   3HG2  VAL  44          HG22      VAL  44  60.935   2.962  -4.420
  338    H    MET  45           HN       MET  45  61.058  -1.754  -3.449
  339    HA   MET  45           HA       MET  45  63.455  -3.098  -4.015
  340   1HB   MET  45           HB2      MET  45  60.982  -3.590  -2.420
  341   2HB   MET  45           HB1      MET  45  62.064  -4.964  -2.645
  342   1HG   MET  45           HG2      MET  45  63.447  -2.458  -1.955
  343   2HG   MET  45           HG1      MET  45  62.362  -3.047  -0.696
  344   1HE   MET  45           HE1      MET  45  65.312  -2.850  -2.281
  345   2HE   MET  45           HE3      MET  45  66.230  -3.420  -0.881
  346   3HE   MET  45           HE2      MET  45  66.184  -4.378  -2.359
  347    H    ARG  46           HN       ARG  46  60.165  -3.812  -5.125
  348    HA   ARG  46           HA       ARG  46  60.845  -6.342  -6.389
  349   1HB   ARG  46           HB2      ARG  46  58.564  -4.761  -5.764
  350   2HB   ARG  46           HB1      ARG  46  58.535  -5.029  -7.507
  351   1HG   ARG  46           HG2      ARG  46  58.808  -7.458  -7.136
  352   2HG   ARG  46           HG1      ARG  46  58.818  -7.187  -5.393
  353   1HD   ARG  46           HD2      ARG  46  56.532  -6.232  -5.526
  354   2HD   ARG  46           HD1      ARG  46  56.517  -6.539  -7.274
  355    HE   ARG  46           HE       ARG  46  57.090  -8.821  -5.451
  356   1HH1  ARG  46          HH21      ARG  46  56.500  -8.973  -8.451
  357   2HH1  ARG  46          HH22      ARG  46  54.869  -9.555  -8.435
  358   1HH2  ARG  46          HH11      ARG  46  54.350  -8.796  -5.092
  359   2HH2  ARG  46          HH12      ARG  46  53.650  -9.452  -6.535
  360    H    MET  47           HN       MET  47  60.399  -2.987  -7.538
  361    HA   MET  47           HA       MET  47  60.682  -3.363 -10.312
  362   1HB   MET  47           HB2      MET  47  61.746  -1.168  -8.502
  363   2HB   MET  47           HB1      MET  47  61.530  -1.017 -10.245
  364   1HG   MET  47           HG2      MET  47  59.072  -1.968  -9.405
  365   2HG   MET  47           HG1      MET  47  59.536  -0.875  -8.100
  366   1HE   MET  47           HE1      MET  47  60.766   1.344  -8.622
  367   2HE   MET  47           HE3      MET  47  61.577   0.959 -10.146
  368   3HE   MET  47           HE2      MET  47  60.500   2.349 -10.044
  369    H    LEU  48           HN       LEU  48  63.323  -2.568  -8.011
  370    HA   LEU  48           HA       LEU  48  65.523  -2.801  -9.718
  371   1HB   LEU  48           HB2      LEU  48  65.074  -3.569  -6.822
  372   2HB   LEU  48           HB1      LEU  48  66.677  -3.568  -7.560
  373    HG   LEU  48           HG       LEU  48  64.796  -1.204  -7.309
  374   1HD1  LEU  48          HD13      LEU  48  66.278  -2.065  -5.340
  375   2HD1  LEU  48          HD12      LEU  48  67.618  -1.410  -6.281
  376   3HD1  LEU  48          HD11      LEU  48  66.319  -0.349  -5.739
  377   1HD2  LEU  48          HD21      LEU  48  67.028  -1.762  -9.131
  378   2HD2  LEU  48          HD23      LEU  48  65.820  -0.478  -9.198
  379   3HD2  LEU  48          HD22      LEU  48  67.257  -0.284  -8.196
  380    H    GLY  49           HN       GLY  49  64.656  -5.451  -7.489
  381   1HA   GLY  49           HA2      GLY  49  64.245  -7.526  -9.316
  382   2HA   GLY  49           HA1      GLY  49  65.995  -7.437  -9.102
  383    H    GLN  50           HN       GLN  50  63.577  -6.714  -6.625
  384    HA   GLN  50           HA       GLN  50  64.560  -9.101  -5.091
  385   1HB   GLN  50           HB2      GLN  50  63.768  -6.331  -4.129
  386   2HB   GLN  50           HB1      GLN  50  64.327  -7.649  -3.099
  387   1HG   GLN  50           HG2      GLN  50  66.219  -7.376  -5.204
  388   2HG   GLN  50           HG1      GLN  50  65.899  -5.757  -4.579
  389   1HE2  GLN  50          HE22      GLN  50  68.549  -7.453  -2.477
  390   2HE2  GLN  50          HE21      GLN  50  68.408  -7.170  -4.144
  391    H    ASN  51           HN       ASN  51  62.885  -9.489  -3.177
  392    HA   ASN  51           HA       ASN  51  60.081  -8.954  -3.995
  393   1HB   ASN  51           HB2      ASN  51  61.191 -11.081  -5.072
  394   2HB   ASN  51           HB1      ASN  51  60.964 -11.785  -3.470
  395   1HD2  ASN  51          HD22      ASN  51  57.882 -12.313  -5.628
  396   2HD2  ASN  51          HD21      ASN  51  59.529 -12.614  -5.906
  397    HA   PRO  52           HA       PRO  52  61.057  -9.302   0.589
  398   1HB   PRO  52           HB2      PRO  52  60.564  -6.691   1.244
  399   2HB   PRO  52           HB1      PRO  52  62.164  -7.278   0.749
  400   1HG   PRO  52           HG2      PRO  52  60.120  -5.798  -0.826
  401   2HG   PRO  52           HG1      PRO  52  61.886  -5.658  -0.848
  402   1HD   PRO  52           HD2      PRO  52  60.443  -7.005  -2.743
  403   2HD   PRO  52           HD1      PRO  52  62.134  -7.373  -2.336
  404    H    THR  53           HN       THR  53  59.421  -9.138   2.299
  405    HA   THR  53           HA       THR  53  56.659  -9.216   1.234
  406    HB   THR  53           HB       THR  53  56.614  -9.736   3.959
  407    HG1  THR  53           HG1      THR  53  58.861 -11.114   3.098
  408   1HG2  THR  53          HG23      THR  53  57.094 -11.552   1.588
  409   2HG2  THR  53          HG22      THR  53  56.723 -12.151   3.204
  410   3HG2  THR  53          HG21      THR  53  55.550 -11.155   2.342
  411    HA   PRO  54           HA       PRO  54  55.329  -5.415   2.979
  412   1HB   PRO  54           HB2      PRO  54  53.086  -6.048   4.418
  413   2HB   PRO  54           HB1      PRO  54  53.130  -6.047   2.643
  414   1HG   PRO  54           HG2      PRO  54  53.296  -8.336   4.541
  415   2HG   PRO  54           HG1      PRO  54  52.470  -8.220   2.978
  416   1HD   PRO  54           HD2      PRO  54  54.871  -9.469   3.323
  417   2HD   PRO  54           HD1      PRO  54  54.364  -8.720   1.792
  418    H    GLU  55           HN       GLU  55  55.051  -7.955   5.500
  419    HA   GLU  55           HA       GLU  55  55.379  -6.222   7.748
  420   1HB   GLU  55           HB2      GLU  55  56.059  -9.146   7.286
  421   2HB   GLU  55           HB1      GLU  55  55.973  -8.385   8.875
  422   1HG   GLU  55           HG2      GLU  55  53.597  -7.684   8.271
  423   2HG   GLU  55           HG1      GLU  55  53.727  -8.770   6.886
  424    H    GLU  56           HN       GLU  56  57.741  -8.025   5.783
  425    HA   GLU  56           HA       GLU  56  60.058  -7.364   7.359
  426   1HB   GLU  56           HB2      GLU  56  59.558  -8.212   4.496
  427   2HB   GLU  56           HB1      GLU  56  61.185  -8.015   5.149
  428   1HG   GLU  56           HG2      GLU  56  60.364  -9.567   7.068
  429   2HG   GLU  56           HG1      GLU  56  59.064  -9.996   5.955
  430    H    LEU  57           HN       LEU  57  58.228  -5.600   4.957
  431    HA   LEU  57           HA       LEU  57  60.129  -3.810   3.916
  432   1HB   LEU  57           HB2      LEU  57  57.582  -4.143   3.505
  433   2HB   LEU  57           HB1      LEU  57  57.368  -2.972   4.805
  434    HG   LEU  57           HG       LEU  57  58.970  -1.453   3.525
  435   1HD1  LEU  57          HD13      LEU  57  59.043  -3.811   1.866
  436   2HD1  LEU  57          HD12      LEU  57  58.429  -2.447   0.930
  437   3HD1  LEU  57          HD11      LEU  57  59.997  -2.335   1.727
  438   1HD2  LEU  57          HD23      LEU  57  56.321  -1.536   3.503
  439   2HD2  LEU  57          HD22      LEU  57  57.188  -0.477   2.391
  440   3HD2  LEU  57          HD21      LEU  57  56.566  -2.029   1.827
  441    H    GLN  58           HN       GLN  58  57.918  -2.845   6.571
  442    HA   GLN  58           HA       GLN  58  59.624  -0.703   7.452
  443   1HB   GLN  58           HB2      GLN  58  57.186  -0.820   7.799
  444   2HB   GLN  58           HB1      GLN  58  57.394  -2.230   8.840
  445   1HG   GLN  58           HG2      GLN  58  57.141  -0.122  10.144
  446   2HG   GLN  58           HG1      GLN  58  58.696  -0.904  10.430
  447   1HE2  GLN  58          HE22      GLN  58  60.232   2.189   9.693
  448   2HE2  GLN  58          HE21      GLN  58  60.000   0.948  10.827
  449    H    GLU  59           HN       GLU  59  59.036  -3.987   8.762
  450    HA   GLU  59           HA       GLU  59  60.572  -3.971  11.071
  451   1HB   GLU  59           HB2      GLU  59  60.070  -5.965   8.877
  452   2HB   GLU  59           HB1      GLU  59  61.159  -6.396  10.195
  453   1HG   GLU  59           HG2      GLU  59  58.719  -5.136  11.177
  454   2HG   GLU  59           HG1      GLU  59  58.376  -6.589  10.238
  455    H    MET  60           HN       MET  60  61.837  -4.695   7.792
  456    HA   MET  60           HA       MET  60  64.587  -4.844   8.512
  457   1HB   MET  60           HB2      MET  60  62.981  -4.288   6.036
  458   2HB   MET  60           HB1      MET  60  64.735  -4.112   5.974
  459   1HG   MET  60           HG2      MET  60  63.984  -6.560   7.342
  460   2HG   MET  60           HG1      MET  60  63.287  -6.501   5.723
  461   1HE   MET  60           HE3      MET  60  64.532  -8.534   5.111
  462   2HE   MET  60           HE2      MET  60  66.280  -8.740   5.027
  463   3HE   MET  60           HE1      MET  60  65.479  -8.697   6.597
  464    H    ILE  61           HN       ILE  61  62.862  -2.098   6.973
  465    HA   ILE  61           HA       ILE  61  64.925  -0.189   7.108
  466    HB   ILE  61           HB       ILE  61  61.916   0.066   7.397
  467   1HG1  ILE  61          HG12      ILE  61  63.652   0.524   4.961
  468   2HG1  ILE  61          HG11      ILE  61  62.942  -1.049   5.330
  469   1HG2  ILE  61          HG22      ILE  61  64.106   2.083   7.209
  470   2HG2  ILE  61          HG21      ILE  61  62.645   2.386   6.267
  471   3HG2  ILE  61          HG23      ILE  61  62.543   2.195   8.018
  472   1HD1  ILE  61          HD13      ILE  61  61.352   1.518   5.060
  473   2HD1  ILE  61          HD12      ILE  61  61.539   0.326   3.774
  474   3HD1  ILE  61          HD11      ILE  61  60.702  -0.108   5.264
  475    H    ASP  62           HN       ASP  62  62.658  -1.237   9.624
  476    HA   ASP  62           HA       ASP  62  63.246   0.842  11.527
  477   1HB   ASP  62           HB2      ASP  62  61.275  -0.718  11.488
  478   2HB   ASP  62           HB1      ASP  62  62.354  -2.024  11.980
  479    H    GLU  63           HN       GLU  63  65.212  -1.631  10.330
  480    HA   GLU  63           HA       GLU  63  66.806  -1.768  12.862
  481   1HB   GLU  63           HB2      GLU  63  66.311  -3.568  10.513
  482   2HB   GLU  63           HB1      GLU  63  67.821  -3.739  11.409
  483   1HG   GLU  63           HG2      GLU  63  65.283  -3.561  12.977
  484   2HG   GLU  63           HG1      GLU  63  65.622  -5.070  12.131
  485    H    VAL  64           HN       VAL  64  66.902  -0.882   9.452
  486    HA   VAL  64           HA       VAL  64  69.824  -0.371   9.581
  487    HB   VAL  64           HB       VAL  64  68.510  -1.495   7.662
  488   1HG1  VAL  64          HG13      VAL  64  67.056   0.899   7.837
  489   2HG1  VAL  64          HG12      VAL  64  68.015   1.057   6.366
  490   3HG1  VAL  64          HG11      VAL  64  66.930  -0.318   6.567
  491   1HG2  VAL  64          HG21      VAL  64  70.862  -0.607   7.533
  492   2HG2  VAL  64          HG23      VAL  64  69.997  -0.548   5.998
  493   3HG2  VAL  64          HG22      VAL  64  70.200   0.921   6.953
  494    H    ASP  65           HN       ASP  65  66.979   1.284  10.293
  495    HA   ASP  65           HA       ASP  65  67.890   3.935   9.351
  496   1HB   ASP  65           HB2      ASP  65  65.491   2.995   9.420
  497   2HB   ASP  65           HB1      ASP  65  65.564   3.255  11.162
  498    H    GLU  66           HN       GLU  66  69.425   4.967  10.579
  499    HA   GLU  66           HA       GLU  66  69.428   4.504  13.540
  500   1HB   GLU  66           HB2      GLU  66  71.438   4.822  11.408
  501   2HB   GLU  66           HB1      GLU  66  71.795   5.748  12.866
  502   1HG   GLU  66           HG2      GLU  66  71.895   3.836  14.216
  503   2HG   GLU  66           HG1      GLU  66  70.948   2.870  13.083
  504    H    ASP  67           HN       ASP  67  68.510   6.768  11.214
  505    HA   ASP  67           HA       ASP  67  69.168   9.138  12.886
  506   1HB   ASP  67           HB2      ASP  67  68.295  10.337  10.877
  507   2HB   ASP  67           HB1      ASP  67  69.574   9.193  10.466
  508    H    GLY  68           HN       GLY  68  66.749   6.860  12.788
  509   1HA   GLY  68           HA2      GLY  68  64.515   6.832  13.514
  510   2HA   GLY  68           HA1      GLY  68  64.987   8.196  14.529
  511    H    SER  69           HN       SER  69  64.809   7.936  10.974
  512    HA   SER  69           HA       SER  69  63.060  10.365  10.994
  513   1HB   SER  69           HB2      SER  69  63.947  10.675   8.725
  514   2HB   SER  69           HB1      SER  69  65.277  10.429   9.852
  515    HG   SER  69           HG       SER  69  65.745   8.986   8.340
  516    H    GLY  70           HN       GLY  70  63.150   6.986  10.206
  517   1HA   GLY  70           HA2      GLY  70  61.351   5.592   9.568
  518   2HA   GLY  70           HA1      GLY  70  60.320   7.021   9.491
  519    H    THR  71           HN       THR  71  63.091   7.681   7.764
  520    HA   THR  71           HA       THR  71  61.797   6.813   5.197
  521    HB   THR  71           HB       THR  71  62.611   8.919   4.284
  522    HG1  THR  71           HG1      THR  71  63.866   9.122   6.812
  523   1HG2  THR  71          HG22      THR  71  61.322   9.247   7.006
  524   2HG2  THR  71          HG21      THR  71  61.426  10.525   5.795
  525   3HG2  THR  71          HG23      THR  71  60.492   9.068   5.460
  526    H    VAL  72           HN       VAL  72  63.295   6.252   3.472
  527    HA   VAL  72           HA       VAL  72  65.944   5.313   4.493
  528    HB   VAL  72           HB       VAL  72  64.584   4.514   1.915
  529   1HG1  VAL  72          HG13      VAL  72  67.009   3.864   3.019
  530   2HG1  VAL  72          HG12      VAL  72  65.986   2.554   3.609
  531   3HG1  VAL  72          HG11      VAL  72  66.127   2.851   1.877
  532   1HG2  VAL  72          HG23      VAL  72  63.795   3.889   4.717
  533   2HG2  VAL  72          HG22      VAL  72  62.813   3.909   3.253
  534   3HG2  VAL  72          HG21      VAL  72  63.852   2.526   3.598
  535    H    ASP  73           HN       ASP  73  67.721   6.432   3.788
  536    HA   ASP  73           HA       ASP  73  67.456   8.062   1.279
  537   1HB   ASP  73           HB2      ASP  73  69.264   9.453   2.484
  538   2HB   ASP  73           HB1      ASP  73  67.635   9.517   3.158
  539    H    PHE  74           HN       PHE  74  69.789   8.530   0.378
  540    HA   PHE  74           HA       PHE  74  70.977   6.250  -0.657
  541   1HB   PHE  74           HB2      PHE  74  71.362   8.874  -0.907
  542   2HB   PHE  74           HB1      PHE  74  72.722   8.541   0.166
  543    HD1  PHE  74           HD1      PHE  74  71.122   6.703  -2.696
  544    HD2  PHE  74           HD2      PHE  74  74.721   8.327  -1.003
  545    HE1  PHE  74           HE1      PHE  74  72.423   5.817  -4.612
  546    HE2  PHE  74           HE2      PHE  74  76.023   7.439  -2.920
  547    HZ   PHE  74           HZ       PHE  74  74.874   6.183  -4.723
  548    H    ASP  75           HN       ASP  75  71.537   7.689   2.528
  549    HA   ASP  75           HA       ASP  75  73.875   6.138   3.206
  550   1HB   ASP  75           HB2      ASP  75  71.817   7.821   4.577
  551   2HB   ASP  75           HB1      ASP  75  72.830   6.786   5.583
  552    H    GLU  76           HN       GLU  76  70.448   5.776   4.221
  553    HA   GLU  76           HA       GLU  76  70.983   3.093   5.295
  554   1HB   GLU  76           HB2      GLU  76  68.376   4.591   4.885
  555   2HB   GLU  76           HB1      GLU  76  68.668   3.262   6.008
  556   1HG   GLU  76           HG2      GLU  76  70.038   4.585   7.405
  557   2HG   GLU  76           HG1      GLU  76  70.278   5.808   6.158
  558    H    PHE  77           HN       PHE  77  69.205   4.504   2.542
  559    HA   PHE  77           HA       PHE  77  67.872   2.339   1.461
  560   1HB   PHE  77           HB2      PHE  77  68.039   4.677   0.575
  561   2HB   PHE  77           HB1      PHE  77  69.642   4.288  -0.049
  562    HD1  PHE  77           HD1      PHE  77  66.347   2.483   0.018
  563    HD2  PHE  77           HD2      PHE  77  69.616   3.954  -2.350
  564    HE1  PHE  77           HE1      PHE  77  65.323   1.492  -2.011
  565    HE2  PHE  77           HE2      PHE  77  68.591   2.962  -4.379
  566    HZ   PHE  77           HZ       PHE  77  66.445   1.731  -4.210
  567    H    LEU  78           HN       LEU  78  71.372   2.993   1.173
  568    HA   LEU  78           HA       LEU  78  71.901   0.685  -0.506
  569   1HB   LEU  78           HB2      LEU  78  73.479   2.697   1.080
  570   2HB   LEU  78           HB1      LEU  78  74.300   1.316   0.349
  571    HG   LEU  78           HG       LEU  78  72.545   3.294  -1.135
  572   1HD1  LEU  78          HD11      LEU  78  75.166   3.613  -0.256
  573   2HD1  LEU  78          HD13      LEU  78  75.349   3.061  -1.921
  574   3HD1  LEU  78          HD12      LEU  78  74.401   4.507  -1.570
  575   1HD2  LEU  78          HD22      LEU  78  73.384   0.629  -1.749
  576   2HD2  LEU  78          HD21      LEU  78  72.495   1.753  -2.777
  577   3HD2  LEU  78          HD23      LEU  78  74.259   1.733  -2.811
  578    H    VAL  79           HN       VAL  79  72.291   1.349   2.989
  579    HA   VAL  79           HA       VAL  79  73.531  -1.108   3.715
  580    HB   VAL  79           HB       VAL  79  71.545   0.585   5.270
  581   1HG1  VAL  79          HG11      VAL  79  73.798  -1.257   6.134
  582   2HG1  VAL  79          HG13      VAL  79  72.875  -0.219   7.221
  583   3HG1  VAL  79          HG12      VAL  79  72.072  -1.537   6.367
  584   1HG2  VAL  79          HG22      VAL  79  73.931   1.402   4.084
  585   2HG2  VAL  79          HG21      VAL  79  73.119   2.205   5.428
  586   3HG2  VAL  79          HG23      VAL  79  74.397   1.031   5.744
  587    H    MET  80           HN       MET  80  70.142  -0.303   3.106
  588    HA   MET  80           HA       MET  80  68.995  -2.697   4.238
  589   1HB   MET  80           HB2      MET  80  68.203  -0.302   2.903
  590   2HB   MET  80           HB1      MET  80  67.483  -1.655   2.030
  591   1HG   MET  80           HG2      MET  80  67.306  -2.032   4.911
  592   2HG   MET  80           HG1      MET  80  66.533  -0.530   4.407
  593   1HE   MET  80           HE1      MET  80  65.265  -0.238   2.525
  594   2HE   MET  80           HE3      MET  80  64.151  -1.370   1.744
  595   3HE   MET  80           HE2      MET  80  63.783  -0.727   3.343
  596    H    MET  81           HN       MET  81  70.066  -1.810   0.956
  597    HA   MET  81           HA       MET  81  69.257  -4.275  -0.308
  598   1HB   MET  81           HB2      MET  81  70.750  -1.808  -0.885
  599   2HB   MET  81           HB1      MET  81  71.352  -3.205  -1.776
  600   1HG   MET  81           HG2      MET  81  69.038  -3.686  -2.543
  601   2HG   MET  81           HG1      MET  81  68.477  -2.242  -1.701
  602   1HE   MET  81           HE3      MET  81  69.019  -0.101  -2.006
  603   2HE   MET  81           HE2      MET  81  69.532   0.695  -3.492
  604   3HE   MET  81           HE1      MET  81  67.970  -0.117  -3.431
  605    H    VAL  82           HN       VAL  82  72.439  -3.091   0.832
  606    HA   VAL  82           HA       VAL  82  73.957  -5.418   0.228
  607    HB   VAL  82           HB       VAL  82  74.822  -3.173   0.847
  608   1HG1  VAL  82          HG11      VAL  82  73.831  -3.941   3.610
  609   2HG1  VAL  82          HG13      VAL  82  74.808  -2.520   3.237
  610   3HG1  VAL  82          HG12      VAL  82  73.173  -2.660   2.593
  611   1HG2  VAL  82          HG21      VAL  82  75.899  -5.622   1.520
  612   2HG2  VAL  82          HG23      VAL  82  76.751  -4.082   1.631
  613   3HG2  VAL  82          HG22      VAL  82  75.955  -4.753   3.054
  614    H    ARG  83           HN       ARG  83  71.879  -4.643   2.983
  615    HA   ARG  83           HA       ARG  83  72.736  -6.760   4.728
  616   1HB   ARG  83           HB2      ARG  83  70.504  -4.829   4.435
  617   2HB   ARG  83           HB1      ARG  83  70.142  -6.261   5.399
  618   1HG   ARG  83           HG2      ARG  83  72.106  -5.834   6.809
  619   2HG   ARG  83           HG1      ARG  83  72.518  -4.426   5.828
  620   1HD   ARG  83           HD2      ARG  83  71.300  -3.308   7.432
  621   2HD   ARG  83           HD1      ARG  83  69.918  -3.857   6.462
  622    HE   ARG  83           HE       ARG  83  69.836  -5.877   7.968
  623   1HH1  ARG  83          HH21      ARG  83  72.322  -3.818   8.945
  624   2HH1  ARG  83          HH22      ARG  83  71.895  -3.822  10.623
  625   1HH2  ARG  83          HH11      ARG  83  68.933  -5.559  10.138
  626   2HH2  ARG  83          HH12      ARG  83  69.975  -4.806  11.298
  627    H    CYS  84           HN       CYS  84  70.304  -6.600   2.142
  628    HA   CYS  84           HA       CYS  84  69.143  -9.203   2.707
  629   1HB   CYS  84           HB2      CYS  84  67.948  -7.409   1.546
  630   2HB   CYS  84           HB1      CYS  84  69.157  -7.405   0.262
  631    HG   CYS  84           HG       CYS  84  67.365  -8.953  -0.681
  632    H    MET  85           HN       MET  85  71.515  -8.018   0.298
  633    HA   MET  85           HA       MET  85  71.932 -10.620  -0.911
  634   1HB   MET  85           HB2      MET  85  73.693  -9.444  -2.097
  635   2HB   MET  85           HB1      MET  85  72.330  -8.337  -1.921
  636   1HG   MET  85           HG2      MET  85  73.391  -7.258  -0.013
  637   2HG   MET  85           HG1      MET  85  74.710  -8.429  -0.045
  638   1HE   MET  85           HE2      MET  85  72.675  -5.955  -1.596
  639   2HE   MET  85           HE1      MET  85  73.823  -4.725  -2.121
  640   3HE   MET  85           HE3      MET  85  73.205  -5.914  -3.276
  641    H    LYS  86           HN       LYS  86  73.199  -9.020   1.915
  642    HA   LYS  86           HA       LYS  86  74.868  -9.669   3.464
  643   1HB   LYS  86           HB2      LYS  86  73.844 -12.264   2.281
  644   2HB   LYS  86           HB1      LYS  86  74.942 -12.219   3.662
  645   1HG   LYS  86           HG2      LYS  86  73.334 -11.441   5.087
  646   2HG   LYS  86           HG1      LYS  86  72.569 -10.449   3.845
  647   1HD   LYS  86           HD2      LYS  86  71.734 -12.612   2.797
  648   2HD   LYS  86           HD1      LYS  86  72.277 -13.432   4.262
  649   1HE   LYS  86           HE2      LYS  86  70.613 -11.011   4.704
  650   2HE   LYS  86           HE1      LYS  86  69.776 -12.414   4.009
  651   1HZ   LYS  86           HZ2      LYS  86  71.548 -12.486   6.395
  652   2HZ   LYS  86           HZ1      LYS  86  69.850 -12.520   6.444
  653   3HZ   LYS  86           HZ3      LYS  86  70.703 -13.805   5.736
  654    H    ASP  87           HN       ASP  87  76.216  -8.635   1.449
  655    HA   ASP  87           HA       ASP  87  78.350  -8.689   0.423
  656   1HB   ASP  87           HB2      ASP  87  78.440 -10.362   2.613
  657   2HB   ASP  87           HB1      ASP  87  78.938 -11.439   1.307
  658    H    ASP  88           HN       ASP  88  79.687 -10.742  -0.866
  659    HA   ASP  88           HA       ASP  88  77.827 -11.359  -3.076
  660   1HB   ASP  88           HB2      ASP  88  80.787 -11.928  -2.710
  661   2HB   ASP  88           HB1      ASP  88  79.898 -11.934  -4.234
  662    H    SER  89           HN       SER  89  80.365 -13.352  -1.526
  663    HA   SER  89           HA       SER  89  79.221 -15.862  -2.215
  664   1HB   SER  89           HB2      SER  89  80.800 -15.431   0.303
  665   2HB   SER  89           HB1      SER  89  80.961 -16.705  -0.902
  666    HG   SER  89           HG       SER  89  82.644 -15.234  -1.134
   
  No H/Q in entry =         666
  Start of MODEL   12
    1   1H    MET   1           HT1      MET   1  76.519   1.187  18.149
    2   2H    MET   1           HT3      MET   1  75.938   2.731  18.541
    3   3H    MET   1           HT2      MET   1  75.262   1.876  17.238
    4    HA   MET   1           HA       MET   1  76.731   3.561  16.366
    5   1HB   MET   1           HB2      MET   1  78.673   2.203  18.264
    6   2HB   MET   1           HB1      MET   1  79.111   3.483  17.131
    7   1HG   MET   1           HG2      MET   1  78.569   4.942  18.769
    8   2HG   MET   1           HG1      MET   1  76.888   4.510  18.455
    9   1HE   MET   1           HE3      MET   1  80.045   3.972  20.089
   10   2HE   MET   1           HE2      MET   1  79.376   4.694  21.551
   11   3HE   MET   1           HE1      MET   1  79.807   2.986  21.539
   12    H    ASP   2           HN       ASP   2  75.841   0.712  15.875
   13    HA   ASP   2           HA       ASP   2  77.812  -0.984  14.838
   14   1HB   ASP   2           HB2      ASP   2  74.983  -0.292  14.051
   15   2HB   ASP   2           HB1      ASP   2  75.882  -1.524  13.165
   16    H    ASP   3           HN       ASP   3  79.460  -0.372  13.476
   17    HA   ASP   3           HA       ASP   3  78.801   1.501  11.224
   18   1HB   ASP   3           HB2      ASP   3  80.536   1.883  13.259
   19   2HB   ASP   3           HB1      ASP   3  81.600   1.040  12.133
   20    H    ILE   4           HN       ILE   4  79.326  -1.707  11.857
   21    HA   ILE   4           HA       ILE   4  81.263  -2.507   9.906
   22    HB   ILE   4           HB       ILE   4  80.338  -4.694  10.302
   23   1HG1  ILE   4          HG12      ILE   4  78.044  -4.538  11.735
   24   2HG1  ILE   4          HG11      ILE   4  77.852  -3.116  10.708
   25   1HG2  ILE   4          HG23      ILE   4  81.204  -3.118  12.304
   26   2HG2  ILE   4          HG22      ILE   4  79.572  -3.436  12.890
   27   3HG2  ILE   4          HG21      ILE   4  80.673  -4.777  12.573
   28   1HD1  ILE   4          HD11      ILE   4  78.500  -5.899   9.691
   29   2HD1  ILE   4          HD13      ILE   4  76.892  -5.175   9.675
   30   3HD1  ILE   4          HD12      ILE   4  78.185  -4.470   8.704
   31    H    TYR   5           HN       TYR   5  78.139  -1.166   9.521
   32    HA   TYR   5           HA       TYR   5  77.602  -2.471   6.924
   33   1HB   TYR   5           HB2      TYR   5  76.230  -0.348   8.599
   34   2HB   TYR   5           HB1      TYR   5  75.592  -0.930   7.061
   35    HD1  TYR   5           HD2      TYR   5  74.956  -3.335   6.796
   36    HD2  TYR   5           HD1      TYR   5  76.077  -1.671  10.595
   37    HE1  TYR   5           HE2      TYR   5  73.957  -5.290   7.947
   38    HE2  TYR   5           HE1      TYR   5  75.076  -3.627  11.746
   39    HH   TYR   5           HH       TYR   5  73.440  -5.357  11.344
   40    H    LYS   6           HN       LYS   6  78.473   0.764   8.165
   41    HA   LYS   6           HA       LYS   6  78.395   2.219   5.742
   42   1HB   LYS   6           HB2      LYS   6  79.673   2.368   8.398
   43   2HB   LYS   6           HB1      LYS   6  80.530   3.259   7.139
   44   1HG   LYS   6           HG2      LYS   6  78.710   4.667   6.711
   45   2HG   LYS   6           HG1      LYS   6  77.546   3.533   7.398
   46   1HD   LYS   6           HD2      LYS   6  79.468   4.252   9.416
   47   2HD   LYS   6           HD1      LYS   6  78.800   5.719   8.700
   48   1HE   LYS   6           HE2      LYS   6  76.583   5.151   9.300
   49   2HE   LYS   6           HE1      LYS   6  76.998   3.444   9.549
   50   1HZ   LYS   6           HZ1      LYS   6  78.604   4.284  11.290
   51   2HZ   LYS   6           HZ3      LYS   6  77.798   5.774  11.195
   52   3HZ   LYS   6           HZ2      LYS   6  76.955   4.383  11.689
   53    H    ALA   7           HN       ALA   7  80.755  -0.103   6.928
   54    HA   ALA   7           HA       ALA   7  82.737   0.565   4.849
   55   1HB   ALA   7           HB2      ALA   7  82.547  -0.906   7.343
   56   2HB   ALA   7           HB1      ALA   7  83.323  -1.894   6.105
   57   3HB   ALA   7           HB3      ALA   7  83.989  -0.314   6.518
   58    H    ALA   8           HN       ALA   8  80.489  -2.099   5.618
   59    HA   ALA   8           HA       ALA   8  81.122  -3.867   3.503
   60   1HB   ALA   8           HB3      ALA   8  79.214  -3.557   5.545
   61   2HB   ALA   8           HB2      ALA   8  78.271  -3.673   4.058
   62   3HB   ALA   8           HB1      ALA   8  79.399  -4.959   4.490
   63    H    VAL   9           HN       VAL   9  79.224  -0.893   3.514
   64    HA   VAL   9           HA       VAL   9  77.946  -1.232   0.959
   65    HB   VAL   9           HB       VAL   9  78.781   1.274   2.456
   66   1HG1  VAL   9          HG11      VAL   9  77.675   1.041  -0.064
   67   2HG1  VAL   9          HG13      VAL   9  76.253   1.235   0.962
   68   3HG1  VAL   9          HG12      VAL   9  77.529   2.454   0.981
   69   1HG2  VAL   9          HG21      VAL   9  77.026  -0.829   3.220
   70   2HG2  VAL   9          HG23      VAL   9  77.247   0.731   4.013
   71   3HG2  VAL   9          HG22      VAL   9  76.016   0.544   2.765
   72    H    GLU  10           HN       GLU  10  80.867   0.631   1.898
   73    HA   GLU  10           HA       GLU  10  81.641   1.592  -0.614
   74   1HB   GLU  10           HB2      GLU  10  83.151   0.597   1.807
   75   2HB   GLU  10           HB1      GLU  10  83.996   1.303   0.430
   76   1HG   GLU  10           HG2      GLU  10  82.386   3.288   0.659
   77   2HG   GLU  10           HG1      GLU  10  81.955   2.613   2.232
   78    H    GLN  11           HN       GLN  11  82.021  -1.667   0.717
   79    HA   GLN  11           HA       GLN  11  83.866  -2.815  -1.048
   80   1HB   GLN  11           HB2      GLN  11  81.757  -3.609   0.756
   81   2HB   GLN  11           HB1      GLN  11  81.737  -4.652  -0.666
   82   1HG   GLN  11           HG2      GLN  11  83.269  -5.707   0.796
   83   2HG   GLN  11           HG1      GLN  11  84.294  -4.829  -0.339
   84   1HE2  GLN  11          HE22      GLN  11  84.336  -3.824   3.588
   85   2HE2  GLN  11          HE21      GLN  11  83.373  -5.096   3.011
   86    H    LEU  12           HN       LEU  12  80.641  -1.668  -1.716
   87    HA   LEU  12           HA       LEU  12  80.205  -3.198  -4.148
   88   1HB   LEU  12           HB2      LEU  12  79.032  -0.559  -3.207
   89   2HB   LEU  12           HB1      LEU  12  78.315  -1.662  -4.382
   90    HG   LEU  12           HG       LEU  12  79.005  -2.650  -1.627
   91   1HD1  LEU  12          HD12      LEU  12  77.617  -0.546  -1.442
   92   2HD1  LEU  12          HD11      LEU  12  76.370  -1.359  -2.386
   93   3HD1  LEU  12          HD13      LEU  12  76.832  -1.991  -0.805
   94   1HD2  LEU  12          HD22      LEU  12  77.400  -3.495  -3.978
   95   2HD2  LEU  12          HD21      LEU  12  78.279  -4.476  -2.805
   96   3HD2  LEU  12          HD23      LEU  12  76.686  -3.835  -2.401
   97    H    THR  13           HN       THR  13  80.744  -2.622  -6.255
   98    HA   THR  13           HA       THR  13  82.875  -0.724  -6.698
   99    HB   THR  13           HB       THR  13  82.284  -1.321  -9.122
  100    HG1  THR  13           HG1      THR  13  80.827  -3.362  -8.822
  101   1HG2  THR  13          HG21      THR  13  82.780  -3.457  -7.037
  102   2HG2  THR  13          HG23      THR  13  82.916  -3.750  -8.771
  103   3HG2  THR  13          HG22      THR  13  83.983  -2.585  -7.988
  104    H    GLU  14           HN       GLU  14  82.765   1.358  -7.620
  105    HA   GLU  14           HA       GLU  14  80.592   3.051  -7.109
  106   1HB   GLU  14           HB2      GLU  14  81.725   4.553  -8.720
  107   2HB   GLU  14           HB1      GLU  14  82.898   3.736  -7.688
  108   1HG   GLU  14           HG2      GLU  14  83.261   2.044  -9.463
  109   2HG   GLU  14           HG1      GLU  14  82.127   2.909 -10.502
  110    H    GLU  15           HN       GLU  15  81.301   1.205 -10.081
  111    HA   GLU  15           HA       GLU  15  79.224   2.214 -11.726
  112   1HB   GLU  15           HB2      GLU  15  79.582   0.139 -12.965
  113   2HB   GLU  15           HB1      GLU  15  81.135   0.714 -12.358
  114   1HG   GLU  15           HG2      GLU  15  81.286  -1.471 -11.655
  115   2HG   GLU  15           HG1      GLU  15  80.426  -0.809 -10.264
  116    H    GLN  16           HN       GLN  16  79.151  -0.114  -9.082
  117    HA   GLN  16           HA       GLN  16  76.431  -1.043  -9.652
  118   1HB   GLN  16           HB2      GLN  16  78.206  -2.395  -8.536
  119   2HB   GLN  16           HB1      GLN  16  78.188  -1.261  -7.183
  120   1HG   GLN  16           HG2      GLN  16  76.565  -2.542  -6.277
  121   2HG   GLN  16           HG1      GLN  16  75.501  -1.930  -7.545
  122   1HE2  GLN  16          HE22      GLN  16  77.355  -5.516  -8.364
  123   2HE2  GLN  16          HE21      GLN  16  78.244  -4.281  -7.610
  124    H    LYS  17           HN       LYS  17  77.887   0.841  -6.965
  125    HA   LYS  17           HA       LYS  17  75.449   1.682  -5.771
  126   1HB   LYS  17           HB2      LYS  17  78.282   2.163  -5.605
  127   2HB   LYS  17           HB1      LYS  17  77.435   3.708  -5.510
  128   1HG   LYS  17           HG2      LYS  17  76.617   3.247  -3.454
  129   2HG   LYS  17           HG1      LYS  17  76.135   1.618  -3.929
  130   1HD   LYS  17           HD2      LYS  17  77.816   0.949  -2.552
  131   2HD   LYS  17           HD1      LYS  17  78.867   1.391  -3.898
  132   1HE   LYS  17           HE2      LYS  17  78.030   3.542  -1.975
  133   2HE   LYS  17           HE1      LYS  17  79.318   2.417  -1.501
  134   1HZ   LYS  17           HZ1      LYS  17  79.372   3.513  -4.214
  135   2HZ   LYS  17           HZ3      LYS  17  79.841   4.537  -2.946
  136   3HZ   LYS  17           HZ2      LYS  17  80.662   3.071  -3.201
  137    H    ASN  18           HN       ASN  18  77.083   2.748  -8.657
  138    HA   ASN  18           HA       ASN  18  75.892   5.373  -8.875
  139   1HB   ASN  18           HB2      ASN  18  77.393   3.421 -10.555
  140   2HB   ASN  18           HB1      ASN  18  76.488   4.669 -11.412
  141   1HD2  ASN  18          HD22      ASN  18  79.809   6.152 -10.727
  142   2HD2  ASN  18          HD21      ASN  18  79.183   4.911 -11.703
  143    H    GLU  19           HN       GLU  19  75.104   2.230 -10.418
  144    HA   GLU  19           HA       GLU  19  72.852   2.990 -11.907
  145   1HB   GLU  19           HB2      GLU  19  74.049   0.595 -10.771
  146   2HB   GLU  19           HB1      GLU  19  72.289   0.475 -10.784
  147   1HG   GLU  19           HG2      GLU  19  72.195   0.902 -13.148
  148   2HG   GLU  19           HG1      GLU  19  73.906   1.330 -13.197
  149    H    PHE  20           HN       PHE  20  73.057   2.187  -8.442
  150    HA   PHE  20           HA       PHE  20  70.239   2.284  -7.895
  151   1HB   PHE  20           HB2      PHE  20  72.640   2.884  -6.135
  152   2HB   PHE  20           HB1      PHE  20  71.029   2.453  -5.562
  153    HD1  PHE  20           HD2      PHE  20  70.652   0.473  -8.040
  154    HD2  PHE  20           HD1      PHE  20  73.608   0.923  -4.954
  155    HE1  PHE  20           HE2      PHE  20  71.226  -1.931  -8.239
  156    HE2  PHE  20           HE1      PHE  20  74.181  -1.481  -5.154
  157    HZ   PHE  20           HZ       PHE  20  72.991  -2.908  -6.795
  158    H    LYS  21           HN       LYS  21  72.770   4.776  -7.969
  159    HA   LYS  21           HA       LYS  21  71.483   6.927  -6.718
  160   1HB   LYS  21           HB2      LYS  21  73.782   6.566  -8.042
  161   2HB   LYS  21           HB1      LYS  21  72.879   7.374  -9.325
  162   1HG   LYS  21           HG2      LYS  21  72.247   8.947  -7.188
  163   2HG   LYS  21           HG1      LYS  21  73.886   8.452  -6.762
  164   1HD   LYS  21           HD2      LYS  21  74.680   9.979  -8.209
  165   2HD   LYS  21           HD1      LYS  21  73.932   9.073  -9.525
  166   1HE   LYS  21           HE2      LYS  21  72.822  11.089  -9.810
  167   2HE   LYS  21           HE1      LYS  21  71.744  10.368  -8.598
  168   1HZ   LYS  21           HZ3      LYS  21  74.149  11.666  -7.593
  169   2HZ   LYS  21           HZ2      LYS  21  72.958  12.699  -8.226
  170   3HZ   LYS  21           HZ1      LYS  21  72.579  11.645  -6.948
  171    H    ALA  22           HN       ALA  22  71.318   6.158 -10.223
  172    HA   ALA  22           HA       ALA  22  69.322   8.049 -10.913
  173   1HB   ALA  22           HB2      ALA  22  70.852   6.217 -12.196
  174   2HB   ALA  22           HB1      ALA  22  69.304   5.370 -12.213
  175   3HB   ALA  22           HB3      ALA  22  69.443   6.968 -12.946
  176    H    ALA  23           HN       ALA  23  68.997   4.665  -9.813
  177    HA   ALA  23           HA       ALA  23  66.131   4.540  -9.986
  178   1HB   ALA  23           HB3      ALA  23  67.782   2.643  -9.807
  179   2HB   ALA  23           HB2      ALA  23  68.030   3.083  -8.118
  180   3HB   ALA  23           HB1      ALA  23  66.448   2.521  -8.659
  181    H    PHE  24           HN       PHE  24  68.310   5.172  -7.210
  182    HA   PHE  24           HA       PHE  24  66.524   5.513  -5.127
  183   1HB   PHE  24           HB2      PHE  24  68.837   5.791  -4.719
  184   2HB   PHE  24           HB1      PHE  24  69.009   6.987  -6.002
  185    HD1  PHE  24           HD1      PHE  24  67.814   9.248  -5.709
  186    HD2  PHE  24           HD2      PHE  24  68.421   6.462  -2.494
  187    HE1  PHE  24           HE1      PHE  24  67.450  11.067  -4.064
  188    HE2  PHE  24           HE2      PHE  24  68.057   8.283  -0.849
  189    HZ   PHE  24           HZ       PHE  24  67.572  10.584  -1.634
  190    H    ASP  25           HN       ASP  25  67.315   7.957  -7.624
  191    HA   ASP  25           HA       ASP  25  65.583  10.015  -6.630
  192   1HB   ASP  25           HB2      ASP  25  67.022   9.306  -9.146
  193   2HB   ASP  25           HB1      ASP  25  65.750  10.522  -9.272
  194    H    ILE  26           HN       ILE  26  64.932   7.067  -8.341
  195    HA   ILE  26           HA       ILE  26  62.430   7.857  -9.578
  196    HB   ILE  26           HB       ILE  26  63.516   5.143  -8.762
  197   1HG1  ILE  26          HG12      ILE  26  65.038   6.611 -10.175
  198   2HG1  ILE  26          HG11      ILE  26  64.592   5.071 -10.908
  199   1HG2  ILE  26          HG21      ILE  26  61.272   6.087 -10.502
  200   2HG2  ILE  26          HG23      ILE  26  62.152   4.634 -10.975
  201   3HG2  ILE  26          HG22      ILE  26  61.337   4.702  -9.413
  202   1HD1  ILE  26          HD13      ILE  26  62.861   7.460 -11.430
  203   2HD1  ILE  26          HD12      ILE  26  64.395   7.325 -12.290
  204   3HD1  ILE  26          HD11      ILE  26  63.176   6.062 -12.457
  205    H    PHE  27           HN       PHE  27  63.344   6.428  -6.457
  206    HA   PHE  27           HA       PHE  27  60.591   5.861  -5.666
  207   1HB   PHE  27           HB2      PHE  27  63.015   6.130  -3.882
  208   2HB   PHE  27           HB1      PHE  27  61.632   5.053  -3.690
  209    HD1  PHE  27           HD2      PHE  27  61.263   3.751  -6.199
  210    HD2  PHE  27           HD1      PHE  27  64.952   4.889  -4.314
  211    HE1  PHE  27           HE2      PHE  27  62.456   1.983  -7.465
  212    HE2  PHE  27           HE1      PHE  27  66.143   3.122  -5.579
  213    HZ   PHE  27           HZ       PHE  27  64.896   1.669  -7.153
  214    H    VAL  28           HN       VAL  28  62.922   8.487  -5.162
  215    HA   VAL  28           HA       VAL  28  61.186   9.872  -3.237
  216    HB   VAL  28           HB       VAL  28  63.041  11.436  -3.200
  217   1HG1  VAL  28          HG13      VAL  28  63.267   8.687  -2.694
  218   2HG1  VAL  28          HG12      VAL  28  64.752   9.119  -3.542
  219   3HG1  VAL  28          HG11      VAL  28  64.306   9.962  -2.058
  220   1HG2  VAL  28          HG21      VAL  28  63.880   9.993  -5.725
  221   2HG2  VAL  28          HG23      VAL  28  63.485  11.704  -5.549
  222   3HG2  VAL  28          HG22      VAL  28  64.957  11.058  -4.822
  223    H    LEU  29           HN       LEU  29  60.463   9.370  -6.238
  224    HA   LEU  29           HA       LEU  29  60.416  11.957  -7.526
  225   1HB   LEU  29           HB2      LEU  29  59.437   9.213  -7.918
  226   2HB   LEU  29           HB1      LEU  29  58.369  10.438  -8.604
  227    HG   LEU  29           HG       LEU  29  61.358  10.316  -9.101
  228   1HD1  LEU  29          HD12      LEU  29  59.612   8.487 -10.051
  229   2HD1  LEU  29          HD11      LEU  29  59.387   9.755 -11.257
  230   3HD1  LEU  29          HD13      LEU  29  60.988   9.067 -10.991
  231   1HD2  LEU  29          HD21      LEU  29  60.290  12.557  -9.296
  232   2HD2  LEU  29          HD23      LEU  29  60.853  11.957 -10.856
  233   3HD2  LEU  29          HD22      LEU  29  59.139  11.886 -10.450
  234    H    GLY  30           HN       GLY  30  58.684  10.723  -4.887
  235   1HA   GLY  30           HA2      GLY  30  56.473  12.687  -5.349
  236   2HA   GLY  30           HA1      GLY  30  56.254  11.186  -4.449
  237    H    ALA  31           HN       ALA  31  59.108  11.744  -3.355
  238    HA   ALA  31           HA       ALA  31  58.329  12.828  -0.830
  239   1HB   ALA  31           HB3      ALA  31  60.942  12.391  -2.284
  240   2HB   ALA  31           HB2      ALA  31  60.901  13.038  -0.645
  241   3HB   ALA  31           HB1      ALA  31  60.249  11.433  -0.976
  242    H    GLU  32           HN       GLU  32  59.211  14.890   0.110
  243    HA   GLU  32           HA       GLU  32  58.896  17.119  -1.832
  244   1HB   GLU  32           HB2      GLU  32  58.397  18.408   0.132
  245   2HB   GLU  32           HB1      GLU  32  57.611  16.846   0.362
  246   1HG   GLU  32           HG2      GLU  32  58.737  16.649   2.303
  247   2HG   GLU  32           HG1      GLU  32  60.219  16.512   1.357
  248    H    ASP  33           HN       ASP  33  61.369  15.408  -0.195
  249    HA   ASP  33           HA       ASP  33  63.287  17.665  -0.687
  250   1HB   ASP  33           HB2      ASP  33  64.426  16.996   1.322
  251   2HB   ASP  33           HB1      ASP  33  62.709  17.049   1.723
  252    H    GLY  34           HN       GLY  34  62.742  14.158  -0.725
  253   1HA   GLY  34           HA2      GLY  34  63.735  13.125  -2.860
  254   2HA   GLY  34           HA1      GLY  34  65.248  13.859  -2.329
  255    H    CYS  35           HN       CYS  35  62.789  12.213  -0.348
  256    HA   CYS  35           HA       CYS  35  64.937  10.329   0.553
  257   1HB   CYS  35           HB2      CYS  35  62.610  11.726   1.789
  258   2HB   CYS  35           HB1      CYS  35  62.996  10.121   2.411
  259    HG   CYS  35           HG       CYS  35  65.357  10.967   3.077
  260    H    ILE  36           HN       ILE  36  64.296   8.070   0.879
  261    HA   ILE  36           HA       ILE  36  62.058   7.247  -0.934
  262    HB   ILE  36           HB       ILE  36  64.260   5.459   0.090
  263   1HG1  ILE  36          HG12      ILE  36  64.484   7.316  -2.302
  264   2HG1  ILE  36          HG11      ILE  36  65.316   7.565  -0.767
  265   1HG2  ILE  36          HG23      ILE  36  62.179   5.418  -1.961
  266   2HG2  ILE  36          HG22      ILE  36  63.766   5.009  -2.612
  267   3HG2  ILE  36          HG21      ILE  36  63.096   4.078  -1.271
  268   1HD1  ILE  36          HD12      ILE  36  65.684   4.858  -1.816
  269   2HD1  ILE  36          HD11      ILE  36  66.291   6.099  -2.913
  270   3HD1  ILE  36          HD13      ILE  36  66.890   6.017  -1.256
  271    H    SER  37           HN       SER  37  60.728   7.830   1.137
  272    HA   SER  37           HA       SER  37  60.788   6.513   3.580
  273   1HB   SER  37           HB2      SER  37  58.319   6.842   3.528
  274   2HB   SER  37           HB1      SER  37  59.184   8.249   2.915
  275    HG   SER  37           HG       SER  37  57.654   7.840   1.413
  276    H    THR  38           HN       THR  38  59.397   4.639   4.315
  277    HA   THR  38           HA       THR  38  60.035   2.229   2.904
  278    HB   THR  38           HB       THR  38  58.791   1.197   4.675
  279    HG1  THR  38           HG1      THR  38  57.090   2.124   5.590
  280   1HG2  THR  38          HG23      THR  38  60.557   3.381   5.183
  281   2HG2  THR  38          HG22      THR  38  59.298   3.402   6.417
  282   3HG2  THR  38          HG21      THR  38  60.275   1.954   6.179
  283    H    LYS  39           HN       LYS  39  57.053   4.175   3.069
  284    HA   LYS  39           HA       LYS  39  55.219   2.528   1.763
  285   1HB   LYS  39           HB2      LYS  39  54.790   4.778   2.702
  286   2HB   LYS  39           HB1      LYS  39  55.717   5.501   1.387
  287   1HG   LYS  39           HG2      LYS  39  54.127   4.548  -0.252
  288   2HG   LYS  39           HG1      LYS  39  53.190   3.854   1.072
  289   1HD   LYS  39           HD2      LYS  39  53.521   6.554   1.763
  290   2HD   LYS  39           HD1      LYS  39  53.160   6.568   0.036
  291   1HE   LYS  39           HE2      LYS  39  50.986   6.097   0.458
  292   2HE   LYS  39           HE1      LYS  39  51.449   4.655   1.382
  293   1HZ   LYS  39           HZ1      LYS  39  51.771   7.376   2.494
  294   2HZ   LYS  39           HZ3      LYS  39  50.311   6.530   2.658
  295   3HZ   LYS  39           HZ2      LYS  39  51.739   5.894   3.322
  296    H    GLU  40           HN       GLU  40  57.819   4.482   0.321
  297    HA   GLU  40           HA       GLU  40  57.101   3.486  -2.391
  298   1HB   GLU  40           HB2      GLU  40  58.106   5.882  -1.268
  299   2HB   GLU  40           HB1      GLU  40  59.420   5.205  -2.229
  300   1HG   GLU  40           HG2      GLU  40  58.150   6.552  -3.736
  301   2HG   GLU  40           HG1      GLU  40  57.706   4.883  -4.096
  302    H    LEU  41           HN       LEU  41  58.175   1.569  -0.503
  303    HA   LEU  41           HA       LEU  41  60.871   1.059  -1.723
  304   1HB   LEU  41           HB2      LEU  41  60.714   1.713   0.742
  305   2HB   LEU  41           HB1      LEU  41  59.883   0.177   1.001
  306    HG   LEU  41           HG       LEU  41  62.372   0.085   1.410
  307   1HD1  LEU  41          HD11      LEU  41  60.722  -1.787   0.365
  308   2HD1  LEU  41          HD13      LEU  41  61.910  -1.682  -0.934
  309   3HD1  LEU  41          HD12      LEU  41  62.426  -2.093   0.702
  310   1HD2  LEU  41          HD22      LEU  41  62.528   1.571  -0.888
  311   2HD2  LEU  41          HD21      LEU  41  63.875   0.664  -0.203
  312   3HD2  LEU  41          HD23      LEU  41  62.902  -0.042  -1.494
  313    H    GLY  42           HN       GLY  42  57.889  -0.412  -0.433
  314   1HA   GLY  42           HA2      GLY  42  58.506  -3.119  -1.057
  315   2HA   GLY  42           HA1      GLY  42  56.871  -2.469  -0.924
  316    H    LYS  43           HN       LYS  43  56.426  -0.877  -2.938
  317    HA   LYS  43           HA       LYS  43  56.205  -2.490  -5.260
  318   1HB   LYS  43           HB2      LYS  43  56.286   0.529  -4.932
  319   2HB   LYS  43           HB1      LYS  43  55.620  -0.321  -6.327
  320   1HG   LYS  43           HG2      LYS  43  53.860  -1.272  -5.043
  321   2HG   LYS  43           HG1      LYS  43  54.644  -0.855  -3.518
  322   1HD   LYS  43           HD2      LYS  43  54.453   1.612  -4.496
  323   2HD   LYS  43           HD1      LYS  43  53.123   0.895  -5.408
  324   1HE   LYS  43           HE2      LYS  43  53.387   0.606  -2.398
  325   2HE   LYS  43           HE1      LYS  43  52.432   1.886  -3.173
  326   1HZ   LYS  43           HZ1      LYS  43  52.120  -0.936  -3.983
  327   2HZ   LYS  43           HZ3      LYS  43  51.273  -0.332  -2.644
  328   3HZ   LYS  43           HZ2      LYS  43  51.033   0.355  -4.180
  329    H    VAL  44           HN       VAL  44  58.811  -0.447  -4.121
  330    HA   VAL  44           HA       VAL  44  60.229  -0.239  -6.646
  331    HB   VAL  44           HB       VAL  44  60.858   0.178  -3.720
  332   1HG1  VAL  44          HG11      VAL  44  62.676   0.306  -6.116
  333   2HG1  VAL  44          HG13      VAL  44  62.939   1.380  -4.742
  334   3HG1  VAL  44          HG12      VAL  44  62.995  -0.368  -4.517
  335   1HG2  VAL  44          HG21      VAL  44  60.514   2.021  -6.107
  336   2HG2  VAL  44          HG23      VAL  44  59.386   1.822  -4.766
  337   3HG2  VAL  44          HG22      VAL  44  60.964   2.555  -4.488
  338    H    MET  45           HN       MET  45  60.977  -2.085  -3.655
  339    HA   MET  45           HA       MET  45  63.122  -3.615  -4.560
  340   1HB   MET  45           HB2      MET  45  60.818  -4.081  -2.684
  341   2HB   MET  45           HB1      MET  45  61.982  -5.377  -2.965
  342   1HG   MET  45           HG2      MET  45  63.110  -2.680  -2.417
  343   2HG   MET  45           HG1      MET  45  62.336  -3.500  -1.062
  344   1HE   MET  45           HE2      MET  45  65.111  -2.549  -2.506
  345   2HE   MET  45           HE1      MET  45  66.419  -3.651  -2.079
  346   3HE   MET  45           HE3      MET  45  65.585  -3.820  -3.630
  347    H    ARG  46           HN       ARG  46  59.757  -3.878  -5.491
  348    HA   ARG  46           HA       ARG  46  59.901  -6.576  -6.555
  349   1HB   ARG  46           HB2      ARG  46  57.998  -4.484  -6.123
  350   2HB   ARG  46           HB1      ARG  46  57.882  -4.986  -7.811
  351   1HG   ARG  46           HG2      ARG  46  57.415  -7.231  -7.237
  352   2HG   ARG  46           HG1      ARG  46  57.995  -7.019  -5.584
  353   1HD   ARG  46           HD2      ARG  46  56.086  -5.564  -5.065
  354   2HD   ARG  46           HD1      ARG  46  55.515  -5.692  -6.741
  355    HE   ARG  46           HE       ARG  46  55.803  -8.091  -4.967
  356   1HH1  ARG  46          HH21      ARG  46  55.235  -9.064  -7.538
  357   2HH1  ARG  46          HH22      ARG  46  53.515  -8.956  -7.715
  358   1HH2  ARG  46          HH11      ARG  46  53.121  -6.707  -5.106
  359   2HH2  ARG  46          HH12      ARG  46  52.319  -7.623  -6.338
  360    H    MET  47           HN       MET  47  60.167  -3.314  -7.997
  361    HA   MET  47           HA       MET  47  60.628  -4.421 -10.680
  362   1HB   MET  47           HB2      MET  47  60.491  -2.165 -11.345
  363   2HB   MET  47           HB1      MET  47  59.466  -2.208  -9.911
  364   1HG   MET  47           HG2      MET  47  61.358  -1.401  -8.538
  365   2HG   MET  47           HG1      MET  47  62.376  -1.347  -9.977
  366   1HE   MET  47           HE1      MET  47  63.088   0.678 -10.330
  367   2HE   MET  47           HE3      MET  47  62.210   0.634 -11.866
  368   3HE   MET  47           HE2      MET  47  62.183   2.090 -10.872
  369    H    LEU  48           HN       LEU  48  62.557  -2.884  -8.114
  370    HA   LEU  48           HA       LEU  48  65.017  -2.554  -9.426
  371   1HB   LEU  48           HB2      LEU  48  63.978  -2.899  -6.705
  372   2HB   LEU  48           HB1      LEU  48  65.647  -3.447  -6.874
  373    HG   LEU  48           HG       LEU  48  64.664  -0.756  -7.859
  374   1HD1  LEU  48          HD12      LEU  48  64.615  -1.269  -5.285
  375   2HD1  LEU  48          HD11      LEU  48  66.369  -1.147  -5.414
  376   3HD1  LEU  48          HD13      LEU  48  65.355   0.228  -5.854
  377   1HD2  LEU  48          HD23      LEU  48  67.169  -2.276  -7.999
  378   2HD2  LEU  48          HD22      LEU  48  66.662  -0.865  -8.926
  379   3HD2  LEU  48          HD21      LEU  48  67.386  -0.658  -7.331
  380    H    GLY  49           HN       GLY  49  63.485  -5.523  -8.291
  381   1HA   GLY  49           HA2      GLY  49  64.345  -7.492  -9.751
  382   2HA   GLY  49           HA1      GLY  49  65.921  -7.053  -9.092
  383    H    GLN  50           HN       GLN  50  63.774  -6.402  -6.678
  384    HA   GLN  50           HA       GLN  50  64.268  -9.073  -5.419
  385   1HB   GLN  50           HB2      GLN  50  63.857  -6.259  -4.385
  386   2HB   GLN  50           HB1      GLN  50  63.843  -7.663  -3.318
  387   1HG   GLN  50           HG2      GLN  50  66.089  -7.287  -3.202
  388   2HG   GLN  50           HG1      GLN  50  66.114  -8.142  -4.745
  389   1HE2  GLN  50          HE22      GLN  50  67.851  -4.841  -5.177
  390   2HE2  GLN  50          HE21      GLN  50  68.094  -6.180  -4.161
  391    H    ASN  51           HN       ASN  51  62.472  -9.515  -3.657
  392    HA   ASN  51           HA       ASN  51  59.767  -8.639  -4.525
  393   1HB   ASN  51           HB2      ASN  51  61.040 -11.298  -4.925
  394   2HB   ASN  51           HB1      ASN  51  59.369 -11.316  -4.362
  395   1HD2  ASN  51          HD22      ASN  51  58.062  -9.891  -7.381
  396   2HD2  ASN  51          HD21      ASN  51  57.763 -10.073  -5.720
  397    HA   PRO  52           HA       PRO  52  60.459  -9.475   0.034
  398   1HB   PRO  52           HB2      PRO  52  60.085  -6.911   0.910
  399   2HB   PRO  52           HB1      PRO  52  61.673  -7.548   0.432
  400   1HG   PRO  52           HG2      PRO  52  59.799  -5.802  -1.078
  401   2HG   PRO  52           HG1      PRO  52  61.569  -5.780  -1.021
  402   1HD   PRO  52           HD2      PRO  52  60.111  -6.851  -3.081
  403   2HD   PRO  52           HD1      PRO  52  61.766  -7.348  -2.667
  404    H    THR  53           HN       THR  53  58.784  -8.996   1.795
  405    HA   THR  53           HA       THR  53  56.066  -9.035   0.587
  406    HB   THR  53           HB       THR  53  55.795  -9.597   3.252
  407    HG1  THR  53           HG1      THR  53  57.718 -11.012   3.555
  408   1HG2  THR  53          HG22      THR  53  55.452 -10.933   0.939
  409   2HG2  THR  53          HG21      THR  53  56.845 -11.813   1.571
  410   3HG2  THR  53          HG23      THR  53  55.357 -11.722   2.514
  411    HA   PRO  54           HA       PRO  54  54.884  -5.146   2.233
  412   1HB   PRO  54           HB2      PRO  54  52.429  -5.632   3.343
  413   2HB   PRO  54           HB1      PRO  54  52.709  -5.600   1.590
  414   1HG   PRO  54           HG2      PRO  54  52.449  -7.930   3.422
  415   2HG   PRO  54           HG1      PRO  54  51.852  -7.721   1.768
  416   1HD   PRO  54           HD2      PRO  54  54.087  -9.156   2.398
  417   2HD   PRO  54           HD1      PRO  54  53.842  -8.352   0.832
  418    H    GLU  55           HN       GLU  55  54.096  -7.722   4.599
  419    HA   GLU  55           HA       GLU  55  54.251  -6.056   6.929
  420   1HB   GLU  55           HB2      GLU  55  54.610  -9.028   6.440
  421   2HB   GLU  55           HB1      GLU  55  54.477  -8.315   8.049
  422   1HG   GLU  55           HG2      GLU  55  52.276  -7.336   7.389
  423   2HG   GLU  55           HG1      GLU  55  52.401  -8.174   5.842
  424    H    GLU  56           HN       GLU  56  56.703  -7.306   4.864
  425    HA   GLU  56           HA       GLU  56  58.810  -7.310   6.935
  426   1HB   GLU  56           HB2      GLU  56  58.475  -8.028   4.054
  427   2HB   GLU  56           HB1      GLU  56  60.106  -7.658   4.614
  428   1HG   GLU  56           HG2      GLU  56  59.580 -10.081   4.813
  429   2HG   GLU  56           HG1      GLU  56  59.914  -9.344   6.380
  430    H    LEU  57           HN       LEU  57  57.557  -5.202   4.425
  431    HA   LEU  57           HA       LEU  57  59.602  -3.471   3.783
  432   1HB   LEU  57           HB2      LEU  57  56.718  -3.396   4.088
  433   2HB   LEU  57           HB1      LEU  57  57.421  -1.828   4.484
  434    HG   LEU  57           HG       LEU  57  58.576  -1.742   2.353
  435   1HD1  LEU  57          HD13      LEU  57  57.601  -4.586   2.149
  436   2HD1  LEU  57          HD12      LEU  57  57.997  -3.665   0.698
  437   3HD1  LEU  57          HD11      LEU  57  59.234  -3.963   1.919
  438   1HD2  LEU  57          HD23      LEU  57  55.681  -2.082   2.569
  439   2HD2  LEU  57          HD22      LEU  57  56.599  -0.881   1.662
  440   3HD2  LEU  57          HD21      LEU  57  56.274  -2.463   0.953
  441    H    GLN  58           HN       GLN  58  57.447  -2.573   6.485
  442    HA   GLN  58           HA       GLN  58  59.160  -0.708   7.706
  443   1HB   GLN  58           HB2      GLN  58  56.732  -1.172   8.164
  444   2HB   GLN  58           HB1      GLN  58  57.221  -2.614   9.055
  445   1HG   GLN  58           HG2      GLN  58  56.859  -0.698  10.577
  446   2HG   GLN  58           HG1      GLN  58  58.541  -1.227  10.601
  447   1HE2  GLN  58          HE22      GLN  58  59.786   1.774   9.159
  448   2HE2  GLN  58          HE21      GLN  58  60.149   0.170   9.584
  449    H    GLU  59           HN       GLU  59  58.764  -4.164   8.580
  450    HA   GLU  59           HA       GLU  59  60.619  -4.394  10.643
  451   1HB   GLU  59           HB2      GLU  59  59.923  -6.213   8.324
  452   2HB   GLU  59           HB1      GLU  59  60.898  -6.748   9.694
  453   1HG   GLU  59           HG2      GLU  59  58.943  -5.795  11.141
  454   2HG   GLU  59           HG1      GLU  59  58.008  -5.911   9.648
  455    H    MET  60           HN       MET  60  61.300  -4.439   7.134
  456    HA   MET  60           HA       MET  60  64.163  -4.847   7.497
  457   1HB   MET  60           HB2      MET  60  62.168  -4.576   5.364
  458   2HB   MET  60           HB1      MET  60  63.719  -3.845   4.948
  459   1HG   MET  60           HG2      MET  60  63.597  -6.257   4.314
  460   2HG   MET  60           HG1      MET  60  64.885  -5.923   5.472
  461   1HE   MET  60           HE3      MET  60  65.008  -8.170   5.495
  462   2HE   MET  60           HE2      MET  60  64.651  -8.850   7.081
  463   3HE   MET  60           HE1      MET  60  63.678  -9.321   5.690
  464    H    ILE  61           HN       ILE  61  62.043  -2.059   7.331
  465    HA   ILE  61           HA       ILE  61  64.383  -0.234   7.015
  466    HB   ILE  61           HB       ILE  61  61.375   0.089   6.856
  467   1HG1  ILE  61          HG12      ILE  61  63.303   0.782   4.678
  468   2HG1  ILE  61          HG11      ILE  61  63.000  -0.926   4.992
  469   1HG2  ILE  61          HG22      ILE  61  63.597   2.125   6.867
  470   2HG2  ILE  61          HG21      ILE  61  62.100   2.433   5.987
  471   3HG2  ILE  61          HG23      ILE  61  62.059   2.165   7.730
  472   1HD1  ILE  61          HD13      ILE  61  60.457   0.117   5.042
  473   2HD1  ILE  61          HD12      ILE  61  61.231   1.101   3.801
  474   3HD1  ILE  61          HD11      ILE  61  61.198  -0.655   3.640
  475    H    ASP  62           HN       ASP  62  62.536  -1.633   9.472
  476    HA   ASP  62           HA       ASP  62  62.737   0.723  11.284
  477   1HB   ASP  62           HB2      ASP  62  60.767  -1.057  10.877
  478   2HB   ASP  62           HB1      ASP  62  61.656  -1.929  12.126
  479    H    GLU  63           HN       GLU  63  64.981  -1.261  10.299
  480    HA   GLU  63           HA       GLU  63  66.053  -1.820  13.047
  481   1HB   GLU  63           HB2      GLU  63  67.004  -3.872  12.100
  482   2HB   GLU  63           HB1      GLU  63  65.268  -3.833  11.796
  483   1HG   GLU  63           HG2      GLU  63  65.912  -2.699   9.546
  484   2HG   GLU  63           HG1      GLU  63  67.525  -3.335   9.865
  485    H    VAL  64           HN       VAL  64  66.653  -0.629   9.804
  486    HA   VAL  64           HA       VAL  64  69.527  -0.161  10.499
  487    HB   VAL  64           HB       VAL  64  68.799  -1.479   8.443
  488   1HG1  VAL  64          HG11      VAL  64  67.207   0.880   8.090
  489   2HG1  VAL  64          HG13      VAL  64  68.334   0.755   6.740
  490   3HG1  VAL  64          HG12      VAL  64  67.238  -0.578   7.102
  491   1HG2  VAL  64          HG22      VAL  64  70.861   0.370   8.816
  492   2HG2  VAL  64          HG21      VAL  64  70.782  -0.863   7.557
  493   3HG2  VAL  64          HG23      VAL  64  70.202   0.770   7.229
  494    H    ASP  65           HN       ASP  65  66.490   1.425   9.998
  495    HA   ASP  65           HA       ASP  65  67.413   3.997   9.111
  496   1HB   ASP  65           HB2      ASP  65  65.097   3.369   8.944
  497   2HB   ASP  65           HB1      ASP  65  65.004   3.019  10.670
  498    H    GLU  66           HN       GLU  66  69.377   4.161  10.549
  499    HA   GLU  66           HA       GLU  66  69.122   4.436  13.415
  500   1HB   GLU  66           HB2      GLU  66  71.429   5.215  13.225
  501   2HB   GLU  66           HB1      GLU  66  71.188   3.872  12.107
  502   1HG   GLU  66           HG2      GLU  66  70.503   5.898  10.475
  503   2HG   GLU  66           HG1      GLU  66  71.620   6.762  11.533
  504    H    ASP  67           HN       ASP  67  68.334   6.511  10.790
  505    HA   ASP  67           HA       ASP  67  68.823   9.075  12.013
  506   1HB   ASP  67           HB2      ASP  67  67.159   7.952   9.775
  507   2HB   ASP  67           HB1      ASP  67  66.930   9.633  10.259
  508    H    GLY  68           HN       GLY  68  66.451   6.636  12.578
  509   1HA   GLY  68           HA2      GLY  68  64.615   6.575  14.037
  510   2HA   GLY  68           HA1      GLY  68  65.263   8.043  14.769
  511    H    SER  69           HN       SER  69  64.458   7.852  11.357
  512    HA   SER  69           HA       SER  69  62.255   9.823  11.854
  513   1HB   SER  69           HB2      SER  69  62.814  10.388   9.404
  514   2HB   SER  69           HB1      SER  69  64.039  10.792  10.603
  515    HG   SER  69           HG       SER  69  64.370   9.323   8.498
  516    H    GLY  70           HN       GLY  70  63.209   7.095   9.738
  517   1HA   GLY  70           HA2      GLY  70  61.518   5.262   9.480
  518   2HA   GLY  70           HA1      GLY  70  60.293   6.527   9.369
  519    H    THR  71           HN       THR  71  62.731   7.900   7.776
  520    HA   THR  71           HA       THR  71  61.739   6.913   5.141
  521    HB   THR  71           HB       THR  71  62.417   9.064   4.346
  522    HG1  THR  71           HG1      THR  71  64.368   9.464   5.103
  523   1HG2  THR  71          HG22      THR  71  60.705   8.795   6.529
  524   2HG2  THR  71          HG21      THR  71  61.752  10.144   6.970
  525   3HG2  THR  71          HG23      THR  71  60.826  10.200   5.470
  526    H    VAL  72           HN       VAL  72  63.256   6.272   3.507
  527    HA   VAL  72           HA       VAL  72  65.950   5.516   4.574
  528    HB   VAL  72           HB       VAL  72  64.564   4.399   2.133
  529   1HG1  VAL  72          HG11      VAL  72  66.747   3.543   4.018
  530   2HG1  VAL  72          HG13      VAL  72  65.865   2.344   3.073
  531   3HG1  VAL  72          HG12      VAL  72  66.771   3.616   2.256
  532   1HG2  VAL  72          HG21      VAL  72  64.026   3.860   5.045
  533   2HG2  VAL  72          HG23      VAL  72  62.880   3.997   3.712
  534   3HG2  VAL  72          HG22      VAL  72  63.877   2.551   3.871
  535    H    ASP  73           HN       ASP  73  67.514   6.914   3.854
  536    HA   ASP  73           HA       ASP  73  67.157   8.291   1.236
  537   1HB   ASP  73           HB2      ASP  73  69.089   9.636   2.129
  538   2HB   ASP  73           HB1      ASP  73  67.686   9.642   3.198
  539    H    PHE  74           HN       PHE  74  69.641   8.636   0.290
  540    HA   PHE  74           HA       PHE  74  70.383   6.167  -0.896
  541   1HB   PHE  74           HB2      PHE  74  70.916   8.671  -1.449
  542   2HB   PHE  74           HB1      PHE  74  72.321   8.423  -0.412
  543    HD1  PHE  74           HD1      PHE  74  70.497   6.715  -3.213
  544    HD2  PHE  74           HD2      PHE  74  74.281   7.613  -1.389
  545    HE1  PHE  74           HE1      PHE  74  71.664   5.563  -5.071
  546    HE2  PHE  74           HE2      PHE  74  75.450   6.461  -3.250
  547    HZ   PHE  74           HZ       PHE  74  74.141   5.436  -5.091
  548    H    ASP  75           HN       ASP  75  71.326   7.616   2.160
  549    HA   ASP  75           HA       ASP  75  73.674   5.990   2.630
  550   1HB   ASP  75           HB2      ASP  75  71.797   7.722   4.219
  551   2HB   ASP  75           HB1      ASP  75  72.993   6.740   5.066
  552    H    GLU  76           HN       GLU  76  70.441   5.857   4.182
  553    HA   GLU  76           HA       GLU  76  70.865   3.204   5.258
  554   1HB   GLU  76           HB2      GLU  76  68.351   4.839   4.775
  555   2HB   GLU  76           HB1      GLU  76  68.471   3.446   5.851
  556   1HG   GLU  76           HG2      GLU  76  70.078   4.602   7.258
  557   2HG   GLU  76           HG1      GLU  76  70.137   5.962   6.136
  558    H    PHE  77           HN       PHE  77  69.226   4.475   2.369
  559    HA   PHE  77           HA       PHE  77  67.817   2.244   1.459
  560   1HB   PHE  77           HB2      PHE  77  67.817   4.419   0.366
  561   2HB   PHE  77           HB1      PHE  77  69.524   4.254  -0.043
  562    HD1  PHE  77           HD2      PHE  77  66.614   1.896  -0.264
  563    HD2  PHE  77           HD1      PHE  77  69.754   3.956  -2.347
  564    HE1  PHE  77           HE2      PHE  77  66.001   0.715  -2.356
  565    HE2  PHE  77           HE1      PHE  77  69.142   2.775  -4.440
  566    HZ   PHE  77           HZ       PHE  77  67.264   1.155  -4.444
  567    H    LEU  78           HN       LEU  78  71.312   2.895   1.110
  568    HA   LEU  78           HA       LEU  78  71.845   0.500  -0.443
  569   1HB   LEU  78           HB2      LEU  78  73.293   2.745   0.835
  570   2HB   LEU  78           HB1      LEU  78  74.228   1.260   0.658
  571    HG   LEU  78           HG       LEU  78  72.652   2.491  -1.614
  572   1HD1  LEU  78          HD13      LEU  78  74.443   4.031  -0.768
  573   2HD1  LEU  78          HD12      LEU  78  75.621   2.751  -1.052
  574   3HD1  LEU  78          HD11      LEU  78  74.738   3.455  -2.408
  575   1HD2  LEU  78          HD21      LEU  78  73.451  -0.007  -1.499
  576   2HD2  LEU  78          HD23      LEU  78  73.737   0.919  -2.974
  577   3HD2  LEU  78          HD22      LEU  78  75.045   0.677  -1.816
  578    H    VAL  79           HN       VAL  79  72.575   1.379   2.963
  579    HA   VAL  79           HA       VAL  79  73.691  -1.017   3.860
  580    HB   VAL  79           HB       VAL  79  71.709   0.832   5.233
  581   1HG1  VAL  79          HG13      VAL  79  72.116  -1.396   6.363
  582   2HG1  VAL  79          HG12      VAL  79  73.818  -0.952   6.477
  583   3HG1  VAL  79          HG11      VAL  79  72.599   0.006   7.317
  584   1HG2  VAL  79          HG23      VAL  79  74.054   1.569   4.143
  585   2HG2  VAL  79          HG22      VAL  79  73.475   2.250   5.663
  586   3HG2  VAL  79          HG21      VAL  79  74.657   0.941   5.676
  587    H    MET  80           HN       MET  80  70.188  -0.204   3.949
  588    HA   MET  80           HA       MET  80  69.112  -2.548   4.953
  589   1HB   MET  80           HB2      MET  80  68.257  -0.291   3.551
  590   2HB   MET  80           HB1      MET  80  67.722  -1.638   2.547
  591   1HG   MET  80           HG2      MET  80  66.466  -2.601   4.325
  592   2HG   MET  80           HG1      MET  80  67.246  -1.578   5.529
  593   1HE   MET  80           HE3      MET  80  65.402  -1.903   2.459
  594   2HE   MET  80           HE2      MET  80  63.838  -1.613   3.214
  595   3HE   MET  80           HE1      MET  80  64.530  -0.397   2.142
  596    H    MET  81           HN       MET  81  70.575  -2.063   1.783
  597    HA   MET  81           HA       MET  81  69.671  -4.604   0.668
  598   1HB   MET  81           HB2      MET  81  71.083  -2.201  -0.103
  599   2HB   MET  81           HB1      MET  81  71.964  -3.622  -0.669
  600   1HG   MET  81           HG2      MET  81  70.192  -4.360  -1.994
  601   2HG   MET  81           HG1      MET  81  68.988  -3.491  -1.043
  602   1HE   MET  81           HE3      MET  81  67.985  -3.114  -3.081
  603   2HE   MET  81           HE2      MET  81  67.762  -1.433  -2.602
  604   3HE   MET  81           HE1      MET  81  68.323  -1.811  -4.229
  605    H    VAL  82           HN       VAL  82  73.001  -3.454   1.335
  606    HA   VAL  82           HA       VAL  82  74.307  -5.932   1.287
  607    HB   VAL  82           HB       VAL  82  75.554  -3.899   1.409
  608   1HG1  VAL  82          HG11      VAL  82  73.872  -3.390   3.862
  609   2HG1  VAL  82          HG13      VAL  82  75.376  -2.512   3.584
  610   3HG1  VAL  82          HG12      VAL  82  74.050  -2.380   2.428
  611   1HG2  VAL  82          HG23      VAL  82  75.931  -5.956   3.336
  612   2HG2  VAL  82          HG22      VAL  82  77.145  -4.857   2.682
  613   3HG2  VAL  82          HG21      VAL  82  76.260  -4.424   4.145
  614    H    ARG  83           HN       ARG  83  72.233  -4.580   3.771
  615    HA   ARG  83           HA       ARG  83  72.988  -6.147   6.016
  616   1HB   ARG  83           HB2      ARG  83  70.419  -4.912   5.013
  617   2HB   ARG  83           HB1      ARG  83  70.475  -5.769   6.553
  618   1HG   ARG  83           HG2      ARG  83  72.702  -3.908   6.267
  619   2HG   ARG  83           HG1      ARG  83  71.143  -3.092   6.143
  620   1HD   ARG  83           HD2      ARG  83  72.096  -4.868   8.417
  621   2HD   ARG  83           HD1      ARG  83  71.706  -3.137   8.492
  622    HE   ARG  83           HE       ARG  83  69.432  -4.463   7.446
  623   1HH1  ARG  83          HH21      ARG  83  70.332  -2.911  10.168
  624   2HH1  ARG  83          HH22      ARG  83  69.442  -3.887  11.288
  625   1HH2  ARG  83          HH11      ARG  83  68.688  -6.344   8.958
  626   2HH2  ARG  83          HH12      ARG  83  68.512  -5.832  10.603
  627    H    CYS  84           HN       CYS  84  70.342  -6.787   3.675
  628    HA   CYS  84           HA       CYS  84  69.902  -9.492   4.623
  629   1HB   CYS  84           HB2      CYS  84  68.469  -7.691   3.249
  630   2HB   CYS  84           HB1      CYS  84  69.132  -8.583   1.879
  631    HG   CYS  84           HG       CYS  84  67.382  -9.902   4.114
  632    H    MET  85           HN       MET  85  72.248  -8.062   2.571
  633    HA   MET  85           HA       MET  85  72.761 -10.568   1.058
  634   1HB   MET  85           HB2      MET  85  73.979  -7.787   1.017
  635   2HB   MET  85           HB1      MET  85  74.399  -9.081  -0.107
  636   1HG   MET  85           HG2      MET  85  71.749  -9.149  -0.435
  637   2HG   MET  85           HG1      MET  85  71.891  -7.468   0.076
  638   1HE   MET  85           HE1      MET  85  72.441  -5.678  -1.168
  639   2HE   MET  85           HE3      MET  85  74.178  -5.996  -1.068
  640   3HE   MET  85           HE2      MET  85  73.444  -5.571  -2.612
  641    H    LYS  86           HN       LYS  86  73.378  -9.814   4.094
  642    HA   LYS  86           HA       LYS  86  76.208  -9.851   4.445
  643   1HB   LYS  86           HB2      LYS  86  73.758 -10.121   5.982
  644   2HB   LYS  86           HB1      LYS  86  74.997 -11.218   6.590
  645   1HG   LYS  86           HG2      LYS  86  76.556  -9.099   6.351
  646   2HG   LYS  86           HG1      LYS  86  75.028  -8.222   6.440
  647   1HD   LYS  86           HD2      LYS  86  75.148 -10.322   8.447
  648   2HD   LYS  86           HD1      LYS  86  76.507  -9.208   8.606
  649   1HE   LYS  86           HE2      LYS  86  74.317  -7.534   8.117
  650   2HE   LYS  86           HE1      LYS  86  73.698  -8.762   9.240
  651   1HZ   LYS  86           HZ2      LYS  86  76.018  -8.407  10.349
  652   2HZ   LYS  86           HZ1      LYS  86  75.937  -6.891   9.585
  653   3HZ   LYS  86           HZ3      LYS  86  74.737  -7.345  10.694
  654    H    ASP  87           HN       ASP  87  77.281 -11.436   3.209
  655    HA   ASP  87           HA       ASP  87  76.371 -14.161   2.923
  656   1HB   ASP  87           HB2      ASP  87  78.190 -12.513   1.733
  657   2HB   ASP  87           HB1      ASP  87  79.260 -13.526   2.705
  658    H    ASP  88           HN       ASP  88  78.012 -15.980   3.657
  659    HA   ASP  88           HA       ASP  88  78.161 -15.853   6.592
  660   1HB   ASP  88           HB2      ASP  88  77.673 -17.778   4.673
  661   2HB   ASP  88           HB1      ASP  88  79.326 -18.151   5.165
  662    H    SER  89           HN       SER  89  80.220 -14.987   4.053
  663    HA   SER  89           HA       SER  89  82.545 -14.920   5.904
  664   1HB   SER  89           HB2      SER  89  83.056 -16.955   4.906
  665   2HB   SER  89           HB1      SER  89  82.218 -16.546   3.411
  666    HG   SER  89           HG       SER  89  84.762 -16.437   3.808
   
  No H/Q in entry =         666
  Start of MODEL   13
    1   1H    MET   1           HT3      MET   1  81.575  -0.095  19.149
    2   2H    MET   1           HT2      MET   1  82.800  -1.270  19.214
    3   3H    MET   1           HT1      MET   1  83.178   0.369  19.454
    4    HA   MET   1           HA       MET   1  83.177   0.853  17.250
    5   1HB   MET   1           HB2      MET   1  84.551  -1.284  17.945
    6   2HB   MET   1           HB1      MET   1  83.381  -2.130  16.931
    7   1HG   MET   1           HG2      MET   1  85.296  -1.529  15.561
    8   2HG   MET   1           HG1      MET   1  83.923  -0.534  15.074
    9   1HE   MET   1           HE2      MET   1  87.457  -0.624  15.684
   10   2HE   MET   1           HE1      MET   1  87.911   0.685  16.772
   11   3HE   MET   1           HE3      MET   1  87.058  -0.733  17.396
   12    H    ASP   2           HN       ASP   2  82.220   0.473  15.059
   13    HA   ASP   2           HA       ASP   2  79.915  -1.252  14.717
   14   1HB   ASP   2           HB2      ASP   2  79.407   0.862  16.314
   15   2HB   ASP   2           HB1      ASP   2  79.122   1.620  14.746
   16    H    ASP   3           HN       ASP   3  82.222  -0.756  13.163
   17    HA   ASP   3           HA       ASP   3  81.169   0.839  10.850
   18   1HB   ASP   3           HB2      ASP   3  83.815   0.369  12.120
   19   2HB   ASP   3           HB1      ASP   3  83.815   0.467  10.359
   20    H    ILE   4           HN       ILE   4  81.210  -2.255  11.863
   21    HA   ILE   4           HA       ILE   4  82.448  -3.817   9.858
   22    HB   ILE   4           HB       ILE   4  79.832  -4.260  11.335
   23   1HG1  ILE   4          HG12      ILE   4  82.380  -5.460  12.273
   24   2HG1  ILE   4          HG11      ILE   4  82.232  -3.714  12.484
   25   1HG2  ILE   4          HG21      ILE   4  81.227  -5.835   9.403
   26   2HG2  ILE   4          HG23      ILE   4  81.404  -6.622  10.972
   27   3HG2  ILE   4          HG22      ILE   4  79.796  -6.275  10.336
   28   1HD1  ILE   4          HD11      ILE   4  79.759  -4.578  13.304
   29   2HD1  ILE   4          HD13      ILE   4  80.797  -5.896  13.849
   30   3HD1  ILE   4          HD12      ILE   4  81.112  -4.247  14.387
   31    H    TYR   5           HN       TYR   5  78.953  -3.017   9.989
   32    HA   TYR   5           HA       TYR   5  78.402  -3.794   7.292
   33   1HB   TYR   5           HB2      TYR   5  77.098  -2.052   9.379
   34   2HB   TYR   5           HB1      TYR   5  76.381  -2.209   7.775
   35    HD1  TYR   5           HD1      TYR   5  77.634  -4.214  10.669
   36    HD2  TYR   5           HD2      TYR   5  75.079  -4.094   7.217
   37    HE1  TYR   5           HE1      TYR   5  76.655  -6.399  11.317
   38    HE2  TYR   5           HE2      TYR   5  74.102  -6.280   7.864
   39    HH   TYR   5           HH       TYR   5  74.397  -8.098   9.206
   40    H    LYS   6           HN       LYS   6  79.666  -0.828   8.677
   41    HA   LYS   6           HA       LYS   6  79.081   0.948   6.498
   42   1HB   LYS   6           HB2      LYS   6  80.491   0.895   9.002
   43   2HB   LYS   6           HB1      LYS   6  81.528   1.642   7.784
   44   1HG   LYS   6           HG2      LYS   6  80.083   3.406   7.429
   45   2HG   LYS   6           HG1      LYS   6  78.655   2.458   7.850
   46   1HD   LYS   6           HD2      LYS   6  79.239   2.544  10.215
   47   2HD   LYS   6           HD1      LYS   6  80.750   3.376   9.842
   48   1HE   LYS   6           HE2      LYS   6  79.565   5.300  10.154
   49   2HE   LYS   6           HE1      LYS   6  78.825   4.948   8.579
   50   1HZ   LYS   6           HZ1      LYS   6  77.813   3.527  10.932
   51   2HZ   LYS   6           HZ3      LYS   6  77.361   5.150  10.739
   52   3HZ   LYS   6           HZ2      LYS   6  76.991   4.017   9.528
   53    H    ALA   7           HN       ALA   7  81.308  -1.665   6.801
   54    HA   ALA   7           HA       ALA   7  83.179  -0.648   4.755
   55   1HB   ALA   7           HB2      ALA   7  83.135  -2.566   6.864
   56   2HB   ALA   7           HB1      ALA   7  83.447  -3.444   5.367
   57   3HB   ALA   7           HB3      ALA   7  84.503  -2.117   5.848
   58    H    ALA   8           HN       ALA   8  80.640  -3.126   5.070
   59    HA   ALA   8           HA       ALA   8  80.911  -4.361   2.526
   60   1HB   ALA   8           HB3      ALA   8  79.236  -4.435   4.775
   61   2HB   ALA   8           HB2      ALA   8  78.160  -4.051   3.431
   62   3HB   ALA   8           HB1      ALA   8  79.153  -5.508   3.377
   63    H    VAL   9           HN       VAL   9  78.882  -1.577   3.511
   64    HA   VAL   9           HA       VAL   9  77.601  -1.047   1.059
   65    HB   VAL   9           HB       VAL   9  78.700   0.851   3.160
   66   1HG1  VAL   9          HG12      VAL   9  77.775   1.624   0.754
   67   2HG1  VAL   9          HG11      VAL   9  76.235   1.441   1.594
   68   3HG1  VAL   9          HG13      VAL   9  77.458   2.544   2.224
   69   1HG2  VAL   9          HG23      VAL   9  76.730  -1.176   3.314
   70   2HG2  VAL   9          HG22      VAL   9  77.057   0.086   4.502
   71   3HG2  VAL   9          HG21      VAL   9  75.854   0.354   3.239
   72    H    GLU  10           HN       GLU  10  80.601   0.542   2.232
   73    HA   GLU  10           HA       GLU  10  81.230   1.823  -0.244
   74   1HB   GLU  10           HB2      GLU  10  82.181   1.725   2.359
   75   2HB   GLU  10           HB1      GLU  10  83.500   1.008   1.433
   76   1HG   GLU  10           HG2      GLU  10  82.184   3.565   0.527
   77   2HG   GLU  10           HG1      GLU  10  83.488   3.585   1.716
   78    H    GLN  11           HN       GLN  11  81.997  -1.397   1.017
   79    HA   GLN  11           HA       GLN  11  84.021  -2.205  -0.772
   80   1HB   GLN  11           HB2      GLN  11  82.131  -3.339   1.082
   81   2HB   GLN  11           HB1      GLN  11  82.223  -4.366  -0.348
   82   1HG   GLN  11           HG2      GLN  11  84.163  -5.199   0.428
   83   2HG   GLN  11           HG1      GLN  11  84.881  -3.598   0.245
   84   1HE2  GLN  11          HE22      GLN  11  84.743  -2.843   3.718
   85   2HE2  GLN  11          HE21      GLN  11  84.985  -2.213   2.159
   86    H    LEU  12           HN       LEU  12  80.493  -2.129  -1.237
   87    HA   LEU  12           HA       LEU  12  80.101  -3.549  -3.575
   88   1HB   LEU  12           HB2      LEU  12  79.080  -0.847  -2.669
   89   2HB   LEU  12           HB1      LEU  12  78.410  -1.689  -4.067
   90    HG   LEU  12           HG       LEU  12  78.640  -2.994  -1.350
   91   1HD1  LEU  12          HD11      LEU  12  76.726  -0.986  -2.336
   92   2HD1  LEU  12          HD13      LEU  12  75.965  -2.457  -1.729
   93   3HD1  LEU  12          HD12      LEU  12  77.041  -1.526  -0.686
   94   1HD2  LEU  12          HD22      LEU  12  77.801  -3.795  -4.007
   95   2HD2  LEU  12          HD21      LEU  12  77.997  -4.785  -2.561
   96   3HD2  LEU  12          HD23      LEU  12  76.468  -3.959  -2.864
   97    H    THR  13           HN       THR  13  80.316  -3.077  -5.835
   98    HA   THR  13           HA       THR  13  82.686  -1.629  -6.607
   99    HB   THR  13           HB       THR  13  80.970  -2.047  -8.833
  100    HG1  THR  13           HG1      THR  13  79.595  -3.360  -7.879
  101   1HG2  THR  13          HG22      THR  13  83.320  -3.445  -7.591
  102   2HG2  THR  13          HG21      THR  13  82.519  -4.153  -8.993
  103   3HG2  THR  13          HG23      THR  13  83.235  -2.545  -9.106
  104    H    GLU  14           HN       GLU  14  82.724   0.260  -8.065
  105    HA   GLU  14           HA       GLU  14  81.237   2.490  -7.168
  106   1HB   GLU  14           HB2      GLU  14  83.173   1.783  -9.195
  107   2HB   GLU  14           HB1      GLU  14  81.999   2.919  -9.860
  108   1HG   GLU  14           HG2      GLU  14  83.343   4.483  -8.882
  109   2HG   GLU  14           HG1      GLU  14  82.449   4.046  -7.425
  110    H    GLU  15           HN       GLU  15  80.717   0.514 -10.114
  111    HA   GLU  15           HA       GLU  15  78.446   1.900 -11.106
  112   1HB   GLU  15           HB2      GLU  15  78.058  -0.242 -12.306
  113   2HB   GLU  15           HB1      GLU  15  79.762   0.213 -12.329
  114   1HG   GLU  15           HG2      GLU  15  79.897  -1.228 -10.141
  115   2HG   GLU  15           HG1      GLU  15  78.406  -1.951 -10.744
  116    H    GLN  16           HN       GLN  16  78.699  -0.683  -8.675
  117    HA   GLN  16           HA       GLN  16  75.985  -1.398  -8.401
  118   1HB   GLN  16           HB2      GLN  16  78.001  -2.421  -7.313
  119   2HB   GLN  16           HB1      GLN  16  78.063  -1.039  -6.219
  120   1HG   GLN  16           HG2      GLN  16  76.773  -2.414  -4.911
  121   2HG   GLN  16           HG1      GLN  16  75.477  -1.730  -5.893
  122   1HE2  GLN  16          HE22      GLN  16  76.690  -5.592  -6.600
  123   2HE2  GLN  16          HE21      GLN  16  77.723  -4.533  -5.768
  124    H    LYS  17           HN       LYS  17  77.609   0.775  -6.069
  125    HA   LYS  17           HA       LYS  17  75.252   1.914  -5.002
  126   1HB   LYS  17           HB2      LYS  17  76.902   3.783  -4.381
  127   2HB   LYS  17           HB1      LYS  17  77.351   2.151  -3.885
  128   1HG   LYS  17           HG2      LYS  17  78.333   2.500  -6.526
  129   2HG   LYS  17           HG1      LYS  17  78.776   3.947  -5.620
  130   1HD   LYS  17           HD2      LYS  17  79.189   1.214  -4.425
  131   2HD   LYS  17           HD1      LYS  17  80.379   1.896  -5.535
  132   1HE   LYS  17           HE2      LYS  17  81.089   2.537  -3.326
  133   2HE   LYS  17           HE1      LYS  17  80.348   3.988  -4.032
  134   1HZ   LYS  17           HZ2      LYS  17  78.695   2.021  -2.585
  135   2HZ   LYS  17           HZ1      LYS  17  79.553   3.206  -1.721
  136   3HZ   LYS  17           HZ3      LYS  17  78.392   3.669  -2.868
  137    H    ASN  18           HN       ASN  18  77.093   2.799  -7.894
  138    HA   ASN  18           HA       ASN  18  75.831   5.351  -8.354
  139   1HB   ASN  18           HB2      ASN  18  77.527   3.374  -9.788
  140   2HB   ASN  18           HB1      ASN  18  76.618   4.490 -10.806
  141   1HD2  ASN  18          HD21      ASN  18  79.528   4.176  -9.145
  142   2HD2  ASN  18          HD22      ASN  18  79.922   5.820  -8.996
  143    H    GLU  19           HN       GLU  19  74.976   2.024  -9.186
  144    HA   GLU  19           HA       GLU  19  72.915   2.666 -11.106
  145   1HB   GLU  19           HB2      GLU  19  74.160   0.396  -9.851
  146   2HB   GLU  19           HB1      GLU  19  72.409   0.193  -9.794
  147   1HG   GLU  19           HG2      GLU  19  73.924   0.951 -12.306
  148   2HG   GLU  19           HG1      GLU  19  73.484  -0.707 -11.894
  149    H    PHE  20           HN       PHE  20  72.841   1.905  -7.611
  150    HA   PHE  20           HA       PHE  20  69.992   2.011  -7.312
  151   1HB   PHE  20           HB2      PHE  20  72.318   2.494  -5.428
  152   2HB   PHE  20           HB1      PHE  20  70.646   2.332  -4.892
  153    HD1  PHE  20           HD2      PHE  20  69.571   0.240  -6.614
  154    HD2  PHE  20           HD1      PHE  20  73.438   0.539  -4.769
  155    HE1  PHE  20           HE2      PHE  20  69.789  -2.229  -6.670
  156    HE2  PHE  20           HE1      PHE  20  73.655  -1.931  -4.825
  157    HZ   PHE  20           HZ       PHE  20  71.831  -3.315  -5.775
  158    H    LYS  21           HN       LYS  21  72.390   4.525  -7.623
  159    HA   LYS  21           HA       LYS  21  71.005   6.650  -6.280
  160   1HB   LYS  21           HB2      LYS  21  73.438   6.352  -7.268
  161   2HB   LYS  21           HB1      LYS  21  72.714   7.063  -8.712
  162   1HG   LYS  21           HG2      LYS  21  72.333   9.100  -7.692
  163   2HG   LYS  21           HG1      LYS  21  72.177   8.384  -6.087
  164   1HD   LYS  21           HD2      LYS  21  74.373   8.665  -5.651
  165   2HD   LYS  21           HD1      LYS  21  74.836   7.961  -7.201
  166   1HE   LYS  21           HE2      LYS  21  75.593  10.283  -7.154
  167   2HE   LYS  21           HE1      LYS  21  74.233  10.171  -8.289
  168   1HZ   LYS  21           HZ3      LYS  21  72.895  10.537  -6.059
  169   2HZ   LYS  21           HZ2      LYS  21  74.324  11.338  -5.609
  170   3HZ   LYS  21           HZ1      LYS  21  73.458  11.843  -6.982
  171    H    ALA  22           HN       ALA  22  71.122   5.778  -9.762
  172    HA   ALA  22           HA       ALA  22  69.359   7.763 -10.730
  173   1HB   ALA  22           HB1      ALA  22  70.720   5.488 -11.648
  174   2HB   ALA  22           HB3      ALA  22  69.025   5.173 -12.019
  175   3HB   ALA  22           HB2      ALA  22  69.809   6.629 -12.636
  176    H    ALA  23           HN       ALA  23  68.487   4.365  -9.952
  177    HA   ALA  23           HA       ALA  23  65.662   4.740 -10.141
  178   1HB   ALA  23           HB2      ALA  23  67.540   2.789  -8.825
  179   2HB   ALA  23           HB1      ALA  23  65.803   2.641  -8.561
  180   3HB   ALA  23           HB3      ALA  23  66.459   2.531 -10.194
  181    H    PHE  24           HN       PHE  24  67.906   5.007  -7.391
  182    HA   PHE  24           HA       PHE  24  66.148   5.274  -5.237
  183   1HB   PHE  24           HB2      PHE  24  68.507   5.276  -4.898
  184   2HB   PHE  24           HB1      PHE  24  68.740   6.636  -5.995
  185    HD1  PHE  24           HD1      PHE  24  67.686   8.898  -5.338
  186    HD2  PHE  24           HD2      PHE  24  68.200   5.634  -2.595
  187    HE1  PHE  24           HE1      PHE  24  67.477  10.468  -3.431
  188    HE2  PHE  24           HE2      PHE  24  67.990   7.203  -0.687
  189    HZ   PHE  24           HZ       PHE  24  67.628   9.620  -1.104
  190    H    ASP  25           HN       ASP  25  67.052   7.732  -7.649
  191    HA   ASP  25           HA       ASP  25  65.576   9.898  -6.421
  192   1HB   ASP  25           HB2      ASP  25  66.976   9.285  -8.987
  193   2HB   ASP  25           HB1      ASP  25  65.861  10.653  -8.979
  194    H    ILE  26           HN       ILE  26  64.614   7.175  -8.335
  195    HA   ILE  26           HA       ILE  26  62.262   8.406  -9.536
  196    HB   ILE  26           HB       ILE  26  63.128   5.537  -9.098
  197   1HG1  ILE  26          HG12      ILE  26  63.571   7.606 -11.243
  198   2HG1  ILE  26          HG11      ILE  26  64.739   6.511 -10.505
  199   1HG2  ILE  26          HG23      ILE  26  60.620   6.079  -9.536
  200   2HG2  ILE  26          HG22      ILE  26  61.157   6.516 -11.158
  201   3HG2  ILE  26          HG21      ILE  26  61.402   4.876 -10.561
  202   1HD1  ILE  26          HD12      ILE  26  62.915   4.774 -11.648
  203   2HD1  ILE  26          HD11      ILE  26  62.990   6.089 -12.820
  204   3HD1  ILE  26          HD13      ILE  26  64.463   5.236 -12.356
  205    H    PHE  27           HN       PHE  27  62.872   6.387  -6.654
  206    HA   PHE  27           HA       PHE  27  60.090   6.028  -5.967
  207   1HB   PHE  27           HB2      PHE  27  62.467   6.031  -4.098
  208   2HB   PHE  27           HB1      PHE  27  61.007   5.048  -3.992
  209    HD1  PHE  27           HD1      PHE  27  60.545   3.710  -6.347
  210    HD2  PHE  27           HD2      PHE  27  64.370   4.901  -4.800
  211    HE1  PHE  27           HE1      PHE  27  61.642   1.945  -7.701
  212    HE2  PHE  27           HE2      PHE  27  65.468   3.137  -6.153
  213    HZ   PHE  27           HZ       PHE  27  64.104   1.659  -7.604
  214    H    VAL  28           HN       VAL  28  62.539   8.461  -5.138
  215    HA   VAL  28           HA       VAL  28  60.816   9.802  -3.184
  216    HB   VAL  28           HB       VAL  28  62.737  11.336  -3.092
  217   1HG1  VAL  28          HG13      VAL  28  62.743   8.726  -2.351
  218   2HG1  VAL  28          HG12      VAL  28  64.136   8.746  -3.433
  219   3HG1  VAL  28          HG11      VAL  28  64.088   9.824  -2.038
  220   1HG2  VAL  28          HG22      VAL  28  63.071  10.426  -5.792
  221   2HG2  VAL  28          HG21      VAL  28  63.934  11.720  -4.959
  222   3HG2  VAL  28          HG23      VAL  28  64.541  10.065  -4.887
  223    H    LEU  29           HN       LEU  29  60.642   9.612  -6.471
  224    HA   LEU  29           HA       LEU  29  60.525  12.177  -7.560
  225   1HB   LEU  29           HB2      LEU  29  59.166   9.569  -7.945
  226   2HB   LEU  29           HB1      LEU  29  58.362  10.955  -8.682
  227    HG   LEU  29           HG       LEU  29  61.319  10.471  -9.041
  228   1HD1  LEU  29          HD13      LEU  29  59.965   8.481  -9.802
  229   2HD1  LEU  29          HD12      LEU  29  59.115   9.559 -10.908
  230   3HD1  LEU  29          HD11      LEU  29  60.848   9.291 -11.096
  231   1HD2  LEU  29          HD21      LEU  29  59.208  12.249 -10.180
  232   2HD2  LEU  29          HD23      LEU  29  60.897  12.605  -9.818
  233   3HD2  LEU  29          HD22      LEU  29  60.477  11.697 -11.271
  234    H    GLY  30           HN       GLY  30  58.144  10.596  -5.452
  235   1HA   GLY  30           HA2      GLY  30  56.601  13.157  -5.406
  236   2HA   GLY  30           HA1      GLY  30  55.889  11.575  -5.087
  237    H    ALA  31           HN       ALA  31  59.033  12.123  -3.789
  238    HA   ALA  31           HA       ALA  31  58.142  11.715  -1.076
  239   1HB   ALA  31           HB2      ALA  31  60.719  12.614  -2.389
  240   2HB   ALA  31           HB1      ALA  31  60.587  12.347  -0.650
  241   3HB   ALA  31           HB3      ALA  31  60.328  11.009  -1.770
  242    H    GLU  32           HN       GLU  32  59.339  13.503   0.541
  243    HA   GLU  32           HA       GLU  32  58.026  16.107  -0.159
  244   1HB   GLU  32           HB2      GLU  32  58.698  14.883   2.537
  245   2HB   GLU  32           HB1      GLU  32  57.736  16.336   2.262
  246   1HG   GLU  32           HG2      GLU  32  56.010  15.063   1.145
  247   2HG   GLU  32           HG1      GLU  32  57.001  13.605   1.174
  248    H    ASP  33           HN       ASP  33  60.962  14.574   1.075
  249    HA   ASP  33           HA       ASP  33  62.362  17.213   0.807
  250   1HB   ASP  33           HB2      ASP  33  63.782  16.201   2.759
  251   2HB   ASP  33           HB1      ASP  33  62.200  16.881   3.134
  252    H    GLY  34           HN       GLY  34  62.077  14.250  -0.529
  253   1HA   GLY  34           HA2      GLY  34  63.563  13.448  -2.256
  254   2HA   GLY  34           HA1      GLY  34  64.896  14.289  -1.460
  255    H    CYS  35           HN       CYS  35  62.515  11.756  -0.556
  256    HA   CYS  35           HA       CYS  35  64.780   9.997   0.237
  257   1HB   CYS  35           HB2      CYS  35  62.656  11.192   2.015
  258   2HB   CYS  35           HB1      CYS  35  63.419   9.659   2.438
  259    HG   CYS  35           HG       CYS  35  65.560  10.840   2.961
  260    H    ILE  36           HN       ILE  36  64.111   7.752   0.422
  261    HA   ILE  36           HA       ILE  36  61.613   7.159  -1.091
  262    HB   ILE  36           HB       ILE  36  63.693   5.149  -0.240
  263   1HG1  ILE  36          HG12      ILE  36  63.970   6.988  -2.641
  264   2HG1  ILE  36          HG11      ILE  36  64.890   7.177  -1.149
  265   1HG2  ILE  36          HG23      ILE  36  61.533   5.401  -2.226
  266   2HG2  ILE  36          HG22      ILE  36  63.032   4.743  -2.882
  267   3HG2  ILE  36          HG21      ILE  36  62.245   3.951  -1.515
  268   1HD1  ILE  36          HD11      ILE  36  64.870   4.511  -2.521
  269   2HD1  ILE  36          HD13      ILE  36  65.905   5.792  -3.150
  270   3HD1  ILE  36          HD12      ILE  36  66.113   5.225  -1.493
  271    H    SER  37           HN       SER  37  60.037   7.375   0.573
  272    HA   SER  37           HA       SER  37  60.248   6.375   3.229
  273   1HB   SER  37           HB2      SER  37  58.364   7.624   3.162
  274   2HB   SER  37           HB1      SER  37  58.289   7.500   1.407
  275    HG   SER  37           HG       SER  37  56.530   6.521   2.763
  276    H    THR  38           HN       THR  38  58.933   4.508   4.103
  277    HA   THR  38           HA       THR  38  59.661   2.032   2.850
  278    HB   THR  38           HB       THR  38  59.300   2.434   5.281
  279    HG1  THR  38           HG1      THR  38  58.773   0.346   3.966
  280   1HG2  THR  38          HG23      THR  38  57.270   3.902   4.858
  281   2HG2  THR  38          HG22      THR  38  56.355   2.416   4.606
  282   3HG2  THR  38          HG21      THR  38  57.103   2.737   6.171
  283    H    LYS  39           HN       LYS  39  56.598   3.848   2.975
  284    HA   LYS  39           HA       LYS  39  54.782   2.052   1.886
  285   1HB   LYS  39           HB2      LYS  39  55.261   4.998   1.369
  286   2HB   LYS  39           HB1      LYS  39  53.816   4.156   0.808
  287   1HG   LYS  39           HG2      LYS  39  54.676   4.029   3.698
  288   2HG   LYS  39           HG1      LYS  39  53.683   5.357   3.096
  289   1HD   LYS  39           HD2      LYS  39  51.833   4.060   2.961
  290   2HD   LYS  39           HD1      LYS  39  52.723   2.722   2.234
  291   1HE   LYS  39           HE2      LYS  39  53.629   2.144   4.500
  292   2HE   LYS  39           HE1      LYS  39  52.588   3.405   5.192
  293   1HZ   LYS  39           HZ1      LYS  39  51.563   1.268   3.410
  294   2HZ   LYS  39           HZ3      LYS  39  51.583   1.113   5.098
  295   3HZ   LYS  39           HZ2      LYS  39  50.664   2.342   4.370
  296    H    GLU  40           HN       GLU  40  57.425   3.712   0.226
  297    HA   GLU  40           HA       GLU  40  56.558   2.592  -2.393
  298   1HB   GLU  40           HB2      GLU  40  57.706   4.983  -1.509
  299   2HB   GLU  40           HB1      GLU  40  59.033   4.136  -2.306
  300   1HG   GLU  40           HG2      GLU  40  58.122   4.429  -4.356
  301   2HG   GLU  40           HG1      GLU  40  56.520   3.948  -3.796
  302    H    LEU  41           HN       LEU  41  58.757   1.950   0.188
  303    HA   LEU  41           HA       LEU  41  61.018   0.830  -0.974
  304   1HB   LEU  41           HB2      LEU  41  60.356   0.991   1.467
  305   2HB   LEU  41           HB1      LEU  41  59.360  -0.445   1.224
  306    HG   LEU  41           HG       LEU  41  61.689  -0.898   2.129
  307   1HD1  LEU  41          HD11      LEU  41  60.149  -2.424   0.596
  308   2HD1  LEU  41          HD13      LEU  41  61.455  -2.188  -0.564
  309   3HD1  LEU  41          HD12      LEU  41  61.790  -2.923   1.003
  310   1HD2  LEU  41          HD23      LEU  41  62.539   0.900   0.322
  311   2HD2  LEU  41          HD22      LEU  41  63.572  -0.411   0.891
  312   3HD2  LEU  41          HD21      LEU  41  62.727  -0.560  -0.648
  313    H    GLY  42           HN       GLY  42  58.061  -1.073  -0.234
  314   1HA   GLY  42           HA2      GLY  42  58.725  -3.431  -1.560
  315   2HA   GLY  42           HA1      GLY  42  57.069  -2.826  -1.463
  316    H    LYS  43           HN       LYS  43  57.127  -0.568  -2.996
  317    HA   LYS  43           HA       LYS  43  57.028  -1.554  -5.677
  318   1HB   LYS  43           HB2      LYS  43  56.788   0.998  -4.203
  319   2HB   LYS  43           HB1      LYS  43  57.271   1.173  -5.890
  320   1HG   LYS  43           HG2      LYS  43  55.136  -0.790  -5.562
  321   2HG   LYS  43           HG1      LYS  43  54.669   0.806  -4.972
  322   1HD   LYS  43           HD2      LYS  43  55.327   1.817  -7.106
  323   2HD   LYS  43           HD1      LYS  43  55.866   0.246  -7.701
  324   1HE   LYS  43           HE2      LYS  43  53.031   0.630  -6.726
  325   2HE   LYS  43           HE1      LYS  43  53.488   1.011  -8.398
  326   1HZ   LYS  43           HZ1      LYS  43  54.599  -1.232  -8.426
  327   2HZ   LYS  43           HZ3      LYS  43  53.782  -1.576  -6.980
  328   3HZ   LYS  43           HZ2      LYS  43  52.901  -1.260  -8.397
  329    H    VAL  44           HN       VAL  44  59.548   0.133  -3.843
  330    HA   VAL  44           HA       VAL  44  61.331   0.697  -6.012
  331    HB   VAL  44           HB       VAL  44  61.834   0.080  -3.079
  332   1HG1  VAL  44          HG12      VAL  44  63.596   0.772  -5.293
  333   2HG1  VAL  44          HG11      VAL  44  63.669   1.976  -4.007
  334   3HG1  VAL  44          HG13      VAL  44  64.008   0.284  -3.649
  335   1HG2  VAL  44          HG23      VAL  44  60.513   2.261  -4.429
  336   2HG2  VAL  44          HG22      VAL  44  60.763   2.026  -2.699
  337   3HG2  VAL  44          HG21      VAL  44  61.989   2.850  -3.663
  338    H    MET  45           HN       MET  45  61.378  -2.002  -3.645
  339    HA   MET  45           HA       MET  45  63.435  -3.483  -5.034
  340   1HB   MET  45           HB2      MET  45  61.338  -4.122  -2.941
  341   2HB   MET  45           HB1      MET  45  62.523  -5.314  -3.482
  342   1HG   MET  45           HG2      MET  45  63.882  -2.848  -2.910
  343   2HG   MET  45           HG1      MET  45  62.876  -3.280  -1.528
  344   1HE   MET  45           HE2      MET  45  65.575  -3.888  -3.847
  345   2HE   MET  45           HE1      MET  45  66.486  -3.566  -2.374
  346   3HE   MET  45           HE3      MET  45  66.610  -5.141  -3.170
  347    H    ARG  46           HN       ARG  46  60.104  -2.984  -5.631
  348    HA   ARG  46           HA       ARG  46  59.513  -5.541  -6.906
  349   1HB   ARG  46           HB2      ARG  46  58.256  -2.839  -6.569
  350   2HB   ARG  46           HB1      ARG  46  57.608  -3.913  -7.808
  351   1HG   ARG  46           HG2      ARG  46  58.069  -4.870  -4.983
  352   2HG   ARG  46           HG1      ARG  46  56.568  -4.070  -5.451
  353   1HD   ARG  46           HD2      ARG  46  56.762  -5.870  -7.471
  354   2HD   ARG  46           HD1      ARG  46  57.559  -6.777  -6.170
  355    HE   ARG  46           HE       ARG  46  55.298  -5.640  -4.983
  356   1HH1  ARG  46          HH21      ARG  46  55.787  -7.411  -7.886
  357   2HH1  ARG  46          HH22      ARG  46  54.394  -8.418  -7.670
  358   1HH2  ARG  46          HH11      ARG  46  53.576  -7.082  -4.578
  359   2HH2  ARG  46          HH12      ARG  46  53.146  -8.233  -5.797
  360    H    MET  47           HN       MET  47  60.300  -2.249  -8.070
  361    HA   MET  47           HA       MET  47  60.360  -3.114 -10.873
  362   1HB   MET  47           HB2      MET  47  60.992  -0.754 -11.222
  363   2HB   MET  47           HB1      MET  47  59.625  -0.867 -10.113
  364   1HG   MET  47           HG2      MET  47  60.811   0.031  -8.412
  365   2HG   MET  47           HG1      MET  47  62.192  -1.019  -8.725
  366   1HE   MET  47           HE1      MET  47  63.893  -0.795  -9.820
  367   2HE   MET  47           HE3      MET  47  64.437   0.439 -10.966
  368   3HE   MET  47           HE2      MET  47  64.626   0.696  -9.232
  369    H    LEU  48           HN       LEU  48  62.605  -2.869  -8.225
  370    HA   LEU  48           HA       LEU  48  65.049  -2.653  -9.754
  371   1HB   LEU  48           HB2      LEU  48  64.136  -3.172  -6.988
  372   2HB   LEU  48           HB1      LEU  48  65.698  -3.885  -7.387
  373    HG   LEU  48           HG       LEU  48  64.975  -0.982  -7.873
  374   1HD1  LEU  48          HD13      LEU  48  65.100  -1.629  -5.444
  375   2HD1  LEU  48          HD12      LEU  48  66.755  -2.167  -5.725
  376   3HD1  LEU  48          HD11      LEU  48  66.334  -0.467  -5.931
  377   1HD2  LEU  48          HD23      LEU  48  67.471  -2.648  -8.206
  378   2HD2  LEU  48          HD22      LEU  48  66.696  -1.589  -9.384
  379   3HD2  LEU  48          HD21      LEU  48  67.561  -0.899  -8.010
  380    H    GLY  49           HN       GLY  49  62.876  -5.272  -9.038
  381   1HA   GLY  49           HA2      GLY  49  63.065  -7.299 -10.460
  382   2HA   GLY  49           HA1      GLY  49  64.817  -7.172 -10.291
  383    H    GLN  50           HN       GLN  50  63.177  -6.398  -7.421
  384    HA   GLN  50           HA       GLN  50  63.917  -9.062  -6.277
  385   1HB   GLN  50           HB2      GLN  50  63.497  -6.301  -5.088
  386   2HB   GLN  50           HB1      GLN  50  63.903  -7.733  -4.141
  387   1HG   GLN  50           HG2      GLN  50  65.608  -7.002  -6.501
  388   2HG   GLN  50           HG1      GLN  50  65.822  -6.140  -4.978
  389   1HE2  GLN  50          HE22      GLN  50  68.071  -8.796  -4.210
  390   2HE2  GLN  50          HE21      GLN  50  67.956  -7.171  -4.687
  391    H    ASN  51           HN       ASN  51  62.448  -9.655  -4.335
  392    HA   ASN  51           HA       ASN  51  59.605  -8.854  -4.757
  393   1HB   ASN  51           HB2      ASN  51  60.882 -11.281  -5.611
  394   2HB   ASN  51           HB1      ASN  51  59.733 -11.673  -4.332
  395   1HD2  ASN  51          HD22      ASN  51  58.238  -9.852  -7.715
  396   2HD2  ASN  51          HD21      ASN  51  59.811  -9.470  -7.205
  397    HA   PRO  52           HA       PRO  52  61.013  -9.374  -0.328
  398   1HB   PRO  52           HB2      PRO  52  60.382  -6.836   0.481
  399   2HB   PRO  52           HB1      PRO  52  61.965  -7.271  -0.197
  400   1HG   PRO  52           HG2      PRO  52  59.650  -5.932  -1.504
  401   2HG   PRO  52           HG1      PRO  52  61.385  -5.626  -1.688
  402   1HD   PRO  52           HD2      PRO  52  59.904  -7.032  -3.496
  403   2HD   PRO  52           HD1      PRO  52  61.646  -7.283  -3.245
  404    H    THR  53           HN       THR  53  59.550  -9.080   1.636
  405    HA   THR  53           HA       THR  53  56.729  -9.578   0.842
  406    HB   THR  53           HB       THR  53  56.963  -9.946   3.568
  407    HG1  THR  53           HG1      THR  53  59.339 -11.002   2.556
  408   1HG2  THR  53          HG22      THR  53  57.532 -11.822   1.264
  409   2HG2  THR  53          HG21      THR  53  57.363 -12.367   2.932
  410   3HG2  THR  53          HG23      THR  53  56.004 -11.596   2.114
  411    HA   PRO  54           HA       PRO  54  55.279  -5.727   2.374
  412   1HB   PRO  54           HB2      PRO  54  52.927  -6.432   3.587
  413   2HB   PRO  54           HB1      PRO  54  53.136  -6.408   1.824
  414   1HG   PRO  54           HG2      PRO  54  53.169  -8.713   3.702
  415   2HG   PRO  54           HG1      PRO  54  52.505  -8.599   2.066
  416   1HD   PRO  54           HD2      PRO  54  54.893  -9.791   2.654
  417   2HD   PRO  54           HD1      PRO  54  54.515  -9.061   1.078
  418    H    GLU  55           HN       GLU  55  55.615  -8.398   4.618
  419    HA   GLU  55           HA       GLU  55  55.371  -6.730   7.026
  420   1HB   GLU  55           HB2      GLU  55  55.123  -9.411   6.356
  421   2HB   GLU  55           HB1      GLU  55  56.654  -9.367   7.230
  422   1HG   GLU  55           HG2      GLU  55  55.170  -7.795   8.851
  423   2HG   GLU  55           HG1      GLU  55  53.898  -8.834   8.208
  424    H    GLU  56           HN       GLU  56  57.843  -7.576   4.776
  425    HA   GLU  56           HA       GLU  56  60.080  -7.179   6.654
  426   1HB   GLU  56           HB2      GLU  56  59.622  -7.936   3.800
  427   2HB   GLU  56           HB1      GLU  56  61.202  -7.273   4.216
  428   1HG   GLU  56           HG2      GLU  56  60.953  -9.005   6.248
  429   2HG   GLU  56           HG1      GLU  56  59.939  -9.836   5.067
  430    H    LEU  57           HN       LEU  57  58.252  -5.325   4.299
  431    HA   LEU  57           HA       LEU  57  59.881  -3.248   3.519
  432   1HB   LEU  57           HB2      LEU  57  57.093  -3.741   3.966
  433   2HB   LEU  57           HB1      LEU  57  57.460  -2.104   4.514
  434    HG   LEU  57           HG       LEU  57  58.741  -1.857   2.280
  435   1HD1  LEU  57          HD11      LEU  57  58.593  -4.367   1.847
  436   2HD1  LEU  57          HD13      LEU  57  56.886  -4.113   1.486
  437   3HD1  LEU  57          HD12      LEU  57  58.122  -3.333   0.498
  438   1HD2  LEU  57          HD23      LEU  57  55.811  -1.857   2.797
  439   2HD2  LEU  57          HD22      LEU  57  56.859  -0.540   2.268
  440   3HD2  LEU  57          HD21      LEU  57  56.304  -1.746   1.106
  441    H    GLN  58           HN       GLN  58  57.861  -2.801   6.434
  442    HA   GLN  58           HA       GLN  58  59.328  -0.635   7.510
  443   1HB   GLN  58           HB2      GLN  58  57.119  -1.150   8.269
  444   2HB   GLN  58           HB1      GLN  58  57.581  -2.797   8.704
  445   1HG   GLN  58           HG2      GLN  58  57.480  -1.546  10.752
  446   2HG   GLN  58           HG1      GLN  58  59.189  -1.787  10.390
  447   1HE2  GLN  58          HE22      GLN  58  59.757   1.671   9.581
  448   2HE2  GLN  58          HE21      GLN  58  60.298   0.099   9.242
  449    H    GLU  59           HN       GLU  59  59.791  -4.132   7.945
  450    HA   GLU  59           HA       GLU  59  61.703  -3.974  10.083
  451   1HB   GLU  59           HB2      GLU  59  60.299  -5.927   8.987
  452   2HB   GLU  59           HB1      GLU  59  61.729  -6.110   7.969
  453   1HG   GLU  59           HG2      GLU  59  62.092  -5.880  10.936
  454   2HG   GLU  59           HG1      GLU  59  61.550  -7.417  10.262
  455    H    MET  60           HN       MET  60  62.009  -3.739   6.568
  456    HA   MET  60           HA       MET  60  64.932  -3.923   6.585
  457   1HB   MET  60           HB2      MET  60  62.867  -4.227   4.767
  458   2HB   MET  60           HB1      MET  60  63.590  -2.695   4.275
  459   1HG   MET  60           HG2      MET  60  64.701  -4.540   3.111
  460   2HG   MET  60           HG1      MET  60  65.824  -3.787   4.243
  461   1HE   MET  60           HE1      MET  60  64.308  -6.873   2.935
  462   2HE   MET  60           HE3      MET  60  63.993  -7.949   4.303
  463   3HE   MET  60           HE2      MET  60  63.005  -6.510   4.065
  464    H    ILE  61           HN       ILE  61  62.760  -1.493   7.461
  465    HA   ILE  61           HA       ILE  61  64.799   0.631   6.869
  466    HB   ILE  61           HB       ILE  61  61.765   0.728   6.907
  467   1HG1  ILE  61          HG12      ILE  61  63.821   1.066   4.697
  468   2HG1  ILE  61          HG11      ILE  61  62.694  -0.280   4.877
  469   1HG2  ILE  61          HG21      ILE  61  63.686   2.793   7.396
  470   2HG2  ILE  61          HG23      ILE  61  62.952   3.086   5.820
  471   3HG2  ILE  61          HG22      ILE  61  61.935   2.944   7.253
  472   1HD1  ILE  61          HD12      ILE  61  61.428   2.386   4.889
  473   2HD1  ILE  61          HD11      ILE  61  62.198   1.947   3.364
  474   3HD1  ILE  61          HD13      ILE  61  60.943   0.914   4.048
  475    H    ASP  62           HN       ASP  62  63.029  -1.048   9.255
  476    HA   ASP  62           HA       ASP  62  63.221   1.163  11.239
  477   1HB   ASP  62           HB2      ASP  62  61.729  -0.212  12.520
  478   2HB   ASP  62           HB1      ASP  62  61.180  -0.328  10.848
  479    H    GLU  63           HN       GLU  63  65.473  -0.701  10.068
  480    HA   GLU  63           HA       GLU  63  66.569  -1.528  12.737
  481   1HB   GLU  63           HB2      GLU  63  67.487  -3.450  11.645
  482   2HB   GLU  63           HB1      GLU  63  65.829  -3.312  11.059
  483   1HG   GLU  63           HG2      GLU  63  66.583  -2.242   9.013
  484   2HG   GLU  63           HG1      GLU  63  68.244  -2.192   9.608
  485    H    VAL  64           HN       VAL  64  67.226   0.006   9.621
  486    HA   VAL  64           HA       VAL  64  70.018   0.588  10.542
  487    HB   VAL  64           HB       VAL  64  69.635  -0.642   8.390
  488   1HG1  VAL  64          HG11      VAL  64  67.523   0.995   8.032
  489   2HG1  VAL  64          HG13      VAL  64  68.729   1.880   7.097
  490   3HG1  VAL  64          HG12      VAL  64  68.350   0.207   6.687
  491   1HG2  VAL  64          HG21      VAL  64  70.805   2.148   8.132
  492   2HG2  VAL  64          HG23      VAL  64  71.663   0.723   8.721
  493   3HG2  VAL  64          HG22      VAL  64  71.130   0.801   7.041
  494    H    ASP  65           HN       ASP  65  66.933   2.031   9.926
  495    HA   ASP  65           HA       ASP  65  67.797   4.705   9.267
  496   1HB   ASP  65           HB2      ASP  65  65.489   3.468   9.118
  497   2HB   ASP  65           HB1      ASP  65  65.285   4.020  10.781
  498    H    GLU  66           HN       GLU  66  69.075   5.889  10.653
  499    HA   GLU  66           HA       GLU  66  68.582   5.629  13.601
  500   1HB   GLU  66           HB2      GLU  66  71.031   6.647  12.130
  501   2HB   GLU  66           HB1      GLU  66  70.920   6.202  13.835
  502   1HG   GLU  66           HG2      GLU  66  70.029   3.915  12.595
  503   2HG   GLU  66           HG1      GLU  66  71.259   4.485  11.467
  504    H    ASP  67           HN       ASP  67  67.487   7.537  11.292
  505    HA   ASP  67           HA       ASP  67  68.097  10.108  12.711
  506   1HB   ASP  67           HB2      ASP  67  67.270  11.045  10.461
  507   2HB   ASP  67           HB1      ASP  67  68.808  10.182  10.434
  508    H    GLY  68           HN       GLY  68  65.667   7.781  12.127
  509   1HA   GLY  68           HA2      GLY  68  63.440   7.736  12.903
  510   2HA   GLY  68           HA1      GLY  68  63.690   9.347  13.576
  511    H    SER  69           HN       SER  69  64.695   9.522  10.437
  512    HA   SER  69           HA       SER  69  62.609  11.229   9.554
  513   1HB   SER  69           HB2      SER  69  63.796  11.166   7.498
  514   2HB   SER  69           HB1      SER  69  65.024  10.813   8.710
  515    HG   SER  69           HG       SER  69  65.271   9.215   7.270
  516    H    GLY  70           HN       GLY  70  62.817   7.750   9.616
  517   1HA   GLY  70           HA2      GLY  70  61.134   6.163   9.164
  518   2HA   GLY  70           HA1      GLY  70  60.041   7.497   8.792
  519    H    THR  71           HN       THR  71  62.766   8.050   7.007
  520    HA   THR  71           HA       THR  71  61.679   6.520   4.662
  521    HB   THR  71           HB       THR  71  62.197   8.497   3.334
  522    HG1  THR  71           HG1      THR  71  63.438   9.274   5.730
  523   1HG2  THR  71          HG23      THR  71  60.206   8.357   5.202
  524   2HG2  THR  71          HG22      THR  71  60.985   9.877   5.642
  525   3HG2  THR  71          HG21      THR  71  60.358   9.648   4.010
  526    H    VAL  72           HN       VAL  72  63.303   5.847   3.098
  527    HA   VAL  72           HA       VAL  72  65.938   5.313   4.343
  528    HB   VAL  72           HB       VAL  72  64.962   4.445   1.618
  529   1HG1  VAL  72          HG11      VAL  72  67.317   3.985   2.439
  530   2HG1  VAL  72          HG13      VAL  72  66.600   2.986   3.705
  531   3HG1  VAL  72          HG12      VAL  72  66.386   2.550   2.010
  532   1HG2  VAL  72          HG23      VAL  72  64.172   3.376   4.342
  533   2HG2  VAL  72          HG22      VAL  72  63.103   3.921   3.049
  534   3HG2  VAL  72          HG21      VAL  72  64.023   2.426   2.862
  535    H    ASP  73           HN       ASP  73  67.851   6.229   3.611
  536    HA   ASP  73           HA       ASP  73  67.632   8.201   1.359
  537   1HB   ASP  73           HB2      ASP  73  68.015   8.980   3.767
  538   2HB   ASP  73           HB1      ASP  73  69.594   8.199   3.666
  539    H    PHE  74           HN       PHE  74  69.879   8.558   0.305
  540    HA   PHE  74           HA       PHE  74  70.833   6.200  -0.908
  541   1HB   PHE  74           HB2      PHE  74  71.142   8.763  -1.387
  542   2HB   PHE  74           HB1      PHE  74  72.592   8.590  -0.397
  543    HD1  PHE  74           HD2      PHE  74  70.845   6.669  -3.118
  544    HD2  PHE  74           HD1      PHE  74  74.560   8.151  -1.553
  545    HE1  PHE  74           HE2      PHE  74  72.051   5.690  -5.052
  546    HE2  PHE  74           HE1      PHE  74  75.765   7.172  -3.487
  547    HZ   PHE  74           HZ       PHE  74  74.510   5.942  -5.237
  548    H    ASP  75           HN       ASP  75  71.689   7.633   2.178
  549    HA   ASP  75           HA       ASP  75  74.150   6.094   2.531
  550   1HB   ASP  75           HB2      ASP  75  72.555   8.145   3.885
  551   2HB   ASP  75           HB1      ASP  75  73.251   6.981   5.012
  552    H    GLU  76           HN       GLU  76  70.778   5.840   3.664
  553    HA   GLU  76           HA       GLU  76  71.370   3.344   5.136
  554   1HB   GLU  76           HB2      GLU  76  68.799   4.874   4.615
  555   2HB   GLU  76           HB1      GLU  76  69.006   3.580   5.796
  556   1HG   GLU  76           HG2      GLU  76  70.356   4.883   7.189
  557   2HG   GLU  76           HG1      GLU  76  70.819   5.974   5.883
  558    H    PHE  77           HN       PHE  77  69.434   4.387   2.319
  559    HA   PHE  77           HA       PHE  77  68.135   2.069   1.565
  560   1HB   PHE  77           HB2      PHE  77  68.175   4.296   0.408
  561   2HB   PHE  77           HB1      PHE  77  69.756   3.882  -0.254
  562    HD1  PHE  77           HD2      PHE  77  66.170   2.903  -0.192
  563    HD2  PHE  77           HD1      PHE  77  69.980   2.386  -2.107
  564    HE1  PHE  77           HE2      PHE  77  65.076   1.654  -2.033
  565    HE2  PHE  77           HE1      PHE  77  68.885   1.136  -3.948
  566    HZ   PHE  77           HZ       PHE  77  66.433   0.770  -3.911
  567    H    LEU  78           HN       LEU  78  71.606   2.742   1.259
  568    HA   LEU  78           HA       LEU  78  72.199   0.350  -0.289
  569   1HB   LEU  78           HB2      LEU  78  73.644   2.554   1.115
  570   2HB   LEU  78           HB1      LEU  78  74.560   1.090   0.754
  571    HG   LEU  78           HG       LEU  78  72.970   2.703  -1.263
  572   1HD1  LEU  78          HD11      LEU  78  75.587   3.081  -0.184
  573   2HD1  LEU  78          HD13      LEU  78  75.766   2.509  -1.843
  574   3HD1  LEU  78          HD12      LEU  78  74.820   3.960  -1.506
  575   1HD2  LEU  78          HD23      LEU  78  74.480   0.110  -1.357
  576   2HD2  LEU  78          HD22      LEU  78  72.955   0.542  -2.131
  577   3HD2  LEU  78          HD21      LEU  78  74.478   1.149  -2.783
  578    H    VAL  79           HN       VAL  79  72.960   1.249   3.105
  579    HA   VAL  79           HA       VAL  79  73.957  -1.217   3.999
  580    HB   VAL  79           HB       VAL  79  72.208   0.828   5.406
  581   1HG1  VAL  79          HG12      VAL  79  73.808  -1.524   6.363
  582   2HG1  VAL  79          HG11      VAL  79  73.698  -0.088   7.382
  583   3HG1  VAL  79          HG13      VAL  79  72.233  -0.949   6.911
  584   1HG2  VAL  79          HG23      VAL  79  74.409   1.537   4.249
  585   2HG2  VAL  79          HG22      VAL  79  74.225   1.957   5.951
  586   3HG2  VAL  79          HG21      VAL  79  75.220   0.577   5.486
  587    H    MET  80           HN       MET  80  70.550  -0.105   4.259
  588    HA   MET  80           HA       MET  80  69.356  -2.370   5.345
  589   1HB   MET  80           HB2      MET  80  67.359  -1.612   3.996
  590   2HB   MET  80           HB1      MET  80  68.170  -0.304   4.857
  591   1HG   MET  80           HG2      MET  80  68.096   0.695   2.806
  592   2HG   MET  80           HG1      MET  80  69.563  -0.247   2.548
  593   1HE   MET  80           HE2      MET  80  65.958   0.000   2.543
  594   2HE   MET  80           HE1      MET  80  65.978   0.370   0.820
  595   3HE   MET  80           HE3      MET  80  65.291  -1.156   1.394
  596    H    MET  81           HN       MET  81  70.354  -1.856   1.974
  597    HA   MET  81           HA       MET  81  69.197  -4.297   0.939
  598   1HB   MET  81           HB2      MET  81  70.672  -1.994   0.066
  599   2HB   MET  81           HB1      MET  81  71.460  -3.438  -0.572
  600   1HG   MET  81           HG2      MET  81  69.617  -4.063  -1.823
  601   2HG   MET  81           HG1      MET  81  68.477  -3.278  -0.729
  602   1HE   MET  81           HE2      MET  81  67.223  -1.976  -1.355
  603   2HE   MET  81           HE1      MET  81  67.697  -0.281  -1.440
  604   3HE   MET  81           HE3      MET  81  67.174  -1.133  -2.900
  605    H    VAL  82           HN       VAL  82  72.648  -3.443   1.406
  606    HA   VAL  82           HA       VAL  82  73.750  -6.006   1.091
  607    HB   VAL  82           HB       VAL  82  75.084  -3.996   1.226
  608   1HG1  VAL  82          HG11      VAL  82  73.852  -3.766   3.978
  609   2HG1  VAL  82          HG13      VAL  82  75.291  -2.860   3.510
  610   3HG1  VAL  82          HG12      VAL  82  73.772  -2.605   2.653
  611   1HG2  VAL  82          HG23      VAL  82  75.566  -6.292   2.890
  612   2HG2  VAL  82          HG22      VAL  82  76.742  -5.270   2.062
  613   3HG2  VAL  82          HG21      VAL  82  76.205  -4.856   3.691
  614    H    ARG  83           HN       ARG  83  71.971  -4.692   3.815
  615    HA   ARG  83           HA       ARG  83  72.845  -6.538   5.838
  616   1HB   ARG  83           HB2      ARG  83  70.584  -4.654   5.331
  617   2HB   ARG  83           HB1      ARG  83  70.355  -5.856   6.603
  618   1HG   ARG  83           HG2      ARG  83  72.613  -5.132   7.529
  619   2HG   ARG  83           HG1      ARG  83  72.546  -3.778   6.401
  620   1HD   ARG  83           HD2      ARG  83  71.222  -2.644   7.844
  621   2HD   ARG  83           HD1      ARG  83  70.023  -3.951   7.777
  622    HE   ARG  83           HE       ARG  83  71.941  -5.026   9.405
  623   1HH1  ARG  83          HH11      ARG  83  71.775  -1.722   9.471
  624   2HH1  ARG  83          HH12      ARG  83  71.228  -1.583  11.108
  625   1HH2  ARG  83          HH21      ARG  83  70.615  -4.975  11.472
  626   2HH2  ARG  83          HH22      ARG  83  70.571  -3.424  12.241
  627    H    CYS  84           HN       CYS  84  70.096  -6.608   3.554
  628    HA   CYS  84           HA       CYS  84  69.202  -9.240   4.494
  629   1HB   CYS  84           HB2      CYS  84  67.727  -7.399   3.645
  630   2HB   CYS  84           HB1      CYS  84  68.447  -7.607   2.049
  631    HG   CYS  84           HG       CYS  84  67.109  -9.677   1.697
  632    H    MET  85           HN       MET  85  71.620  -8.130   2.369
  633    HA   MET  85           HA       MET  85  71.487 -10.219   0.357
  634   1HB   MET  85           HB2      MET  85  73.577  -8.256   1.325
  635   2HB   MET  85           HB1      MET  85  73.879  -9.365  -0.012
  636   1HG   MET  85           HG2      MET  85  71.510  -8.380  -0.817
  637   2HG   MET  85           HG1      MET  85  72.083  -6.996   0.113
  638   1HE   MET  85           HE1      MET  85  72.213  -5.484  -1.199
  639   2HE   MET  85           HE3      MET  85  73.917  -5.092  -1.470
  640   3HE   MET  85           HE2      MET  85  72.846  -5.377  -2.840
  641    H    LYS  86           HN       LYS  86  72.474 -10.180   3.638
  642    HA   LYS  86           HA       LYS  86  73.538 -11.822   4.968
  643   1HB   LYS  86           HB2      LYS  86  71.857 -13.071   3.329
  644   2HB   LYS  86           HB1      LYS  86  73.353 -13.694   2.631
  645   1HG   LYS  86           HG2      LYS  86  73.743 -15.047   4.402
  646   2HG   LYS  86           HG1      LYS  86  73.331 -13.783   5.561
  647   1HD   LYS  86           HD2      LYS  86  70.986 -14.237   5.361
  648   2HD   LYS  86           HD1      LYS  86  71.244 -15.276   3.959
  649   1HE   LYS  86           HE2      LYS  86  72.865 -16.464   5.850
  650   2HE   LYS  86           HE1      LYS  86  71.479 -15.923   6.818
  651   1HZ   LYS  86           HZ2      LYS  86  70.967 -17.113   4.189
  652   2HZ   LYS  86           HZ1      LYS  86  71.372 -18.156   5.467
  653   3HZ   LYS  86           HZ3      LYS  86  70.013 -17.150   5.595
  654    H    ASP  87           HN       ASP  87  75.146 -14.020   3.626
  655    HA   ASP  87           HA       ASP  87  77.735 -13.020   3.798
  656   1HB   ASP  87           HB2      ASP  87  76.433 -15.364   2.995
  657   2HB   ASP  87           HB1      ASP  87  77.422 -14.918   1.602
  658    H    ASP  88           HN       ASP  88  79.107 -11.868   2.417
  659    HA   ASP  88           HA       ASP  88  77.839 -10.509   0.118
  660   1HB   ASP  88           HB2      ASP  88  79.666  -9.855   2.111
  661   2HB   ASP  88           HB1      ASP  88  80.671 -10.005   0.671
  662    H    SER  89           HN       SER  89  79.168 -10.338  -1.941
  663    HA   SER  89           HA       SER  89  80.160 -11.419  -3.795
  664   1HB   SER  89           HB2      SER  89  81.798 -12.960  -1.803
  665   2HB   SER  89           HB1      SER  89  82.312 -12.192  -3.302
  666    HG   SER  89           HG       SER  89  82.343 -10.266  -2.321
   
  No H/Q in entry =         666
  Start of MODEL   14
    1   1H    MET   1           HT1      MET   1  76.877  -1.151  18.434
    2   2H    MET   1           HT3      MET   1  76.517   0.202  19.390
    3   3H    MET   1           HT2      MET   1  75.606  -0.114  17.992
    4    HA   MET   1           HA       MET   1  76.999   1.511  17.188
    5   1HB   MET   1           HB2      MET   1  79.394   1.564  18.068
    6   2HB   MET   1           HB1      MET   1  78.142   1.849  19.278
    7   1HG   MET   1           HG2      MET   1  78.242  -0.529  19.944
    8   2HG   MET   1           HG1      MET   1  79.500  -0.810  18.740
    9   1HE   MET   1           HE2      MET   1  78.748   2.200  21.083
   10   2HE   MET   1           HE1      MET   1  78.476   0.779  22.087
   11   3HE   MET   1           HE3      MET   1  79.808   1.884  22.454
   12    H    ASP   2           HN       ASP   2  76.552  -1.392  16.424
   13    HA   ASP   2           HA       ASP   2  78.870  -2.606  15.345
   14   1HB   ASP   2           HB2      ASP   2  75.929  -2.575  14.745
   15   2HB   ASP   2           HB1      ASP   2  77.011  -3.423  13.638
   16    H    ASP   3           HN       ASP   3  80.097  -2.180  13.530
   17    HA   ASP   3           HA       ASP   3  79.107  -0.063  11.649
   18   1HB   ASP   3           HB2      ASP   3  81.880  -0.505  12.804
   19   2HB   ASP   3           HB1      ASP   3  81.476   0.716  11.597
   20    H    ILE   4           HN       ILE   4  79.556  -3.224  11.780
   21    HA   ILE   4           HA       ILE   4  81.457  -3.823   9.694
   22    HB   ILE   4           HB       ILE   4  79.000  -5.335  10.642
   23   1HG1  ILE   4          HG12      ILE   4  81.862  -5.413  11.654
   24   2HG1  ILE   4          HG11      ILE   4  80.511  -4.658  12.498
   25   1HG2  ILE   4          HG23      ILE   4  80.857  -5.885   8.591
   26   2HG2  ILE   4          HG22      ILE   4  81.318  -6.919   9.944
   27   3HG2  ILE   4          HG21      ILE   4  79.683  -7.001   9.288
   28   1HD1  ILE   4          HD11      ILE   4  79.411  -7.060  12.123
   29   2HD1  ILE   4          HD13      ILE   4  81.102  -7.556  12.077
   30   3HD1  ILE   4          HD12      ILE   4  80.461  -6.738  13.502
   31    H    TYR   5           HN       TYR   5  77.876  -3.657   9.671
   32    HA   TYR   5           HA       TYR   5  77.565  -4.035   6.850
   33   1HB   TYR   5           HB2      TYR   5  75.932  -2.761   9.054
   34   2HB   TYR   5           HB1      TYR   5  75.321  -2.887   7.404
   35    HD1  TYR   5           HD2      TYR   5  75.218  -5.191   6.313
   36    HD2  TYR   5           HD1      TYR   5  75.890  -4.624  10.517
   37    HE1  TYR   5           HE2      TYR   5  74.567  -7.547   6.734
   38    HE2  TYR   5           HE1      TYR   5  75.240  -6.980  10.939
   39    HH   TYR   5           HH       TYR   5  75.248  -9.172   9.504
   40    H    LYS   6           HN       LYS   6  77.810  -1.073   8.837
   41    HA   LYS   6           HA       LYS   6  77.327   0.929   6.972
   42   1HB   LYS   6           HB2      LYS   6  79.313   0.586   9.214
   43   2HB   LYS   6           HB1      LYS   6  79.266   2.089   8.292
   44   1HG   LYS   6           HG2      LYS   6  76.678   1.955   8.758
   45   2HG   LYS   6           HG1      LYS   6  77.173   0.907  10.088
   46   1HD   LYS   6           HD2      LYS   6  78.771   2.706  10.821
   47   2HD   LYS   6           HD1      LYS   6  78.069   3.759   9.590
   48   1HE   LYS   6           HE2      LYS   6  76.500   4.337  11.125
   49   2HE   LYS   6           HE1      LYS   6  75.868   2.684  10.996
   50   1HZ   LYS   6           HZ2      LYS   6  78.243   3.305  12.644
   51   2HZ   LYS   6           HZ1      LYS   6  76.673   3.442  13.280
   52   3HZ   LYS   6           HZ3      LYS   6  77.231   1.942  12.718
   53    H    ALA   7           HN       ALA   7  80.529  -0.580   7.558
   54    HA   ALA   7           HA       ALA   7  81.825   0.676   5.323
   55   1HB   ALA   7           HB1      ALA   7  82.331  -1.733   7.075
   56   2HB   ALA   7           HB3      ALA   7  83.441  -1.306   5.772
   57   3HB   ALA   7           HB2      ALA   7  83.156  -0.174   7.094
   58    H    ALA   8           HN       ALA   8  79.920  -2.272   5.663
   59    HA   ALA   8           HA       ALA   8  80.674  -3.648   3.297
   60   1HB   ALA   8           HB2      ALA   8  79.100  -4.220   5.315
   61   2HB   ALA   8           HB1      ALA   8  77.842  -3.496   4.313
   62   3HB   ALA   8           HB3      ALA   8  78.730  -4.903   3.732
   63    H    VAL   9           HN       VAL   9  78.415  -0.958   3.796
   64    HA   VAL   9           HA       VAL   9  77.278  -0.982   1.142
   65    HB   VAL   9           HB       VAL   9  77.524   0.981   3.423
   66   1HG1  VAL   9          HG11      VAL   9  76.867   1.548   0.616
   67   2HG1  VAL   9          HG13      VAL   9  75.606   2.048   1.743
   68   3HG1  VAL   9          HG12      VAL   9  77.248   2.663   1.928
   69   1HG2  VAL   9          HG21      VAL   9  75.690  -1.080   2.590
   70   2HG2  VAL   9          HG23      VAL   9  75.659  -0.107   4.062
   71   3HG2  VAL   9          HG22      VAL   9  74.856   0.474   2.604
   72    H    GLU  10           HN       GLU  10  80.097   0.603   2.601
   73    HA   GLU  10           HA       GLU  10  80.686   2.282   0.302
   74   1HB   GLU  10           HB2      GLU  10  82.464   1.316   2.566
   75   2HB   GLU  10           HB1      GLU  10  82.711   2.756   1.578
   76   1HG   GLU  10           HG2      GLU  10  80.277   3.365   2.426
   77   2HG   GLU  10           HG1      GLU  10  80.696   2.265   3.740
   78    H    GLN  11           HN       GLN  11  81.469  -1.009   1.248
   79    HA   GLN  11           HA       GLN  11  83.773  -1.448  -0.379
   80   1HB   GLN  11           HB2      GLN  11  81.825  -2.918   1.189
   81   2HB   GLN  11           HB1      GLN  11  82.240  -3.812  -0.275
   82   1HG   GLN  11           HG2      GLN  11  83.871  -4.492   1.301
   83   2HG   GLN  11           HG1      GLN  11  84.694  -3.279   0.319
   84   1HE2  GLN  11          HE22      GLN  11  84.232  -2.629   4.267
   85   2HE2  GLN  11          HE21      GLN  11  83.839  -4.110   3.535
   86    H    LEU  12           HN       LEU  12  80.335  -1.359  -1.154
   87    HA   LEU  12           HA       LEU  12  80.198  -2.731  -3.585
   88   1HB   LEU  12           HB2      LEU  12  78.974  -0.085  -2.740
   89   2HB   LEU  12           HB1      LEU  12  78.403  -1.055  -4.098
   90    HG   LEU  12           HG       LEU  12  78.603  -2.098  -1.261
   91   1HD1  LEU  12          HD11      LEU  12  76.865  -0.160  -2.022
   92   2HD1  LEU  12          HD13      LEU  12  75.962  -1.592  -2.517
   93   3HD1  LEU  12          HD12      LEU  12  76.464  -1.403  -0.837
   94   1HD2  LEU  12          HD22      LEU  12  78.665  -3.733  -3.190
   95   2HD2  LEU  12          HD21      LEU  12  77.293  -3.949  -2.104
   96   3HD2  LEU  12          HD23      LEU  12  77.069  -3.146  -3.658
   97    H    THR  13           HN       THR  13  81.022  -2.375  -5.626
   98    HA   THR  13           HA       THR  13  83.112  -0.446  -6.067
   99    HB   THR  13           HB       THR  13  82.092  -1.330  -8.541
  100    HG1  THR  13           HG1      THR  13  81.653  -3.500  -8.118
  101   1HG2  THR  13          HG23      THR  13  84.466  -1.284  -7.616
  102   2HG2  THR  13          HG22      THR  13  84.084  -2.805  -6.813
  103   3HG2  THR  13          HG21      THR  13  84.044  -2.705  -8.572
  104    H    GLU  14           HN       GLU  14  83.023   1.285  -7.748
  105    HA   GLU  14           HA       GLU  14  81.004   3.208  -7.333
  106   1HB   GLU  14           HB2      GLU  14  81.969   4.205  -9.424
  107   2HB   GLU  14           HB1      GLU  14  83.206   3.674  -8.283
  108   1HG   GLU  14           HG2      GLU  14  83.069   1.414  -9.621
  109   2HG   GLU  14           HG1      GLU  14  82.375   2.428 -10.886
  110    H    GLU  15           HN       GLU  15  81.286   0.794  -9.957
  111    HA   GLU  15           HA       GLU  15  79.115   1.541 -11.567
  112   1HB   GLU  15           HB2      GLU  15  79.174  -0.775 -12.294
  113   2HB   GLU  15           HB1      GLU  15  80.825  -0.283 -11.914
  114   1HG   GLU  15           HG2      GLU  15  80.304  -1.203  -9.533
  115   2HG   GLU  15           HG1      GLU  15  78.974  -2.049 -10.325
  116    H    GLN  16           HN       GLN  16  79.085  -0.006  -8.404
  117    HA   GLN  16           HA       GLN  16  76.309  -0.879  -8.515
  118   1HB   GLN  16           HB2      GLN  16  77.889  -0.268  -6.017
  119   2HB   GLN  16           HB1      GLN  16  76.721  -1.559  -6.287
  120   1HG   GLN  16           HG2      GLN  16  78.585  -2.135  -8.200
  121   2HG   GLN  16           HG1      GLN  16  79.602  -1.462  -6.925
  122   1HE2  GLN  16          HE22      GLN  16  77.666  -5.021  -6.299
  123   2HE2  GLN  16          HE21      GLN  16  77.229  -4.041  -7.615
  124    H    LYS  17           HN       LYS  17  77.904   1.693  -6.595
  125    HA   LYS  17           HA       LYS  17  75.463   2.980  -5.805
  126   1HB   LYS  17           HB2      LYS  17  78.338   3.916  -6.046
  127   2HB   LYS  17           HB1      LYS  17  77.074   4.828  -5.218
  128   1HG   LYS  17           HG2      LYS  17  76.944   3.330  -3.467
  129   2HG   LYS  17           HG1      LYS  17  77.439   1.961  -4.464
  130   1HD   LYS  17           HD2      LYS  17  79.453   2.209  -3.441
  131   2HD   LYS  17           HD1      LYS  17  79.674   3.554  -4.561
  132   1HE   LYS  17           HE2      LYS  17  78.425   4.970  -2.757
  133   2HE   LYS  17           HE1      LYS  17  78.846   3.637  -1.662
  134   1HZ   LYS  17           HZ2      LYS  17  81.154   3.808  -2.537
  135   2HZ   LYS  17           HZ1      LYS  17  80.702   5.233  -3.343
  136   3HZ   LYS  17           HZ3      LYS  17  80.656   5.168  -1.649
  137    H    ASN  18           HN       ASN  18  77.124   2.953  -8.810
  138    HA   ASN  18           HA       ASN  18  76.400   5.620  -9.717
  139   1HB   ASN  18           HB2      ASN  18  77.842   3.279 -10.607
  140   2HB   ASN  18           HB1      ASN  18  76.787   3.858 -11.897
  141   1HD2  ASN  18          HD22      ASN  18  79.661   5.953 -12.503
  142   2HD2  ASN  18          HD21      ASN  18  78.995   4.448 -12.912
  143    H    GLU  19           HN       GLU  19  75.025   2.356 -10.213
  144    HA   GLU  19           HA       GLU  19  72.805   3.401 -11.826
  145   1HB   GLU  19           HB2      GLU  19  73.379   0.685 -10.596
  146   2HB   GLU  19           HB1      GLU  19  72.161   1.011 -11.830
  147   1HG   GLU  19           HG2      GLU  19  73.715   1.247 -13.501
  148   2HG   GLU  19           HG1      GLU  19  74.925   1.938 -12.418
  149    H    PHE  20           HN       PHE  20  73.364   2.459  -8.470
  150    HA   PHE  20           HA       PHE  20  70.599   2.275  -7.675
  151   1HB   PHE  20           HB2      PHE  20  73.131   2.940  -6.139
  152   2HB   PHE  20           HB1      PHE  20  71.604   2.451  -5.405
  153    HD1  PHE  20           HD2      PHE  20  70.962   0.486  -7.810
  154    HD2  PHE  20           HD1      PHE  20  74.324   1.006  -5.185
  155    HE1  PHE  20           HE2      PHE  20  71.574  -1.893  -8.125
  156    HE2  PHE  20           HE1      PHE  20  74.936  -1.376  -5.501
  157    HZ   PHE  20           HZ       PHE  20  73.561  -2.826  -6.971
  158    H    LYS  21           HN       LYS  21  72.844   4.976  -8.023
  159    HA   LYS  21           HA       LYS  21  71.338   6.910  -6.505
  160   1HB   LYS  21           HB2      LYS  21  73.619   7.361  -6.997
  161   2HB   LYS  21           HB1      LYS  21  73.404   6.992  -8.709
  162   1HG   LYS  21           HG2      LYS  21  72.471   9.044  -9.178
  163   2HG   LYS  21           HG1      LYS  21  71.757   9.204  -7.573
  164   1HD   LYS  21           HD2      LYS  21  74.226   9.381  -6.751
  165   2HD   LYS  21           HD1      LYS  21  74.589   9.753  -8.437
  166   1HE   LYS  21           HE2      LYS  21  72.810  11.561  -8.327
  167   2HE   LYS  21           HE1      LYS  21  72.740  11.279  -6.576
  168   1HZ   LYS  21           HZ2      LYS  21  75.397  11.505  -7.733
  169   2HZ   LYS  21           HZ1      LYS  21  74.487  12.940  -7.704
  170   3HZ   LYS  21           HZ3      LYS  21  74.799  12.107  -6.260
  171    H    ALA  22           HN       ALA  22  71.395   6.062  -9.974
  172    HA   ALA  22           HA       ALA  22  69.519   8.033 -10.854
  173   1HB   ALA  22           HB3      ALA  22  70.434   5.318 -11.807
  174   2HB   ALA  22           HB2      ALA  22  69.222   6.232 -12.706
  175   3HB   ALA  22           HB1      ALA  22  70.836   6.902 -12.468
  176    H    ALA  23           HN       ALA  23  69.057   4.634  -9.833
  177    HA   ALA  23           HA       ALA  23  66.192   4.632 -10.173
  178   1HB   ALA  23           HB2      ALA  23  68.059   2.757  -9.858
  179   2HB   ALA  23           HB1      ALA  23  67.612   2.924  -8.159
  180   3HB   ALA  23           HB3      ALA  23  66.394   2.464  -9.351
  181    H    PHE  24           HN       PHE  24  68.346   5.512  -7.508
  182    HA   PHE  24           HA       PHE  24  66.558   5.560  -5.333
  183   1HB   PHE  24           HB2      PHE  24  68.883   5.976  -5.004
  184   2HB   PHE  24           HB1      PHE  24  68.891   7.288  -6.183
  185    HD1  PHE  24           HD1      PHE  24  67.610   9.414  -5.670
  186    HD2  PHE  24           HD2      PHE  24  68.347   6.380  -2.719
  187    HE1  PHE  24           HE1      PHE  24  67.110  11.044  -3.870
  188    HE2  PHE  24           HE2      PHE  24  67.847   8.011  -0.919
  189    HZ   PHE  24           HZ       PHE  24  67.228  10.343  -1.495
  190    H    ASP  25           HN       ASP  25  67.099   8.028  -7.853
  191    HA   ASP  25           HA       ASP  25  65.243   9.960  -6.760
  192   1HB   ASP  25           HB2      ASP  25  66.368   9.484  -9.540
  193   2HB   ASP  25           HB1      ASP  25  65.520  10.949  -9.046
  194    H    ILE  26           HN       ILE  26  64.868   7.073  -8.670
  195    HA   ILE  26           HA       ILE  26  62.324   7.757  -9.886
  196    HB   ILE  26           HB       ILE  26  63.783   5.159  -9.348
  197   1HG1  ILE  26          HG12      ILE  26  63.665   7.139 -11.626
  198   2HG1  ILE  26          HG11      ILE  26  65.086   6.458 -10.834
  199   1HG2  ILE  26          HG22      ILE  26  61.206   5.103  -9.737
  200   2HG2  ILE  26          HG21      ILE  26  61.604   5.565 -11.391
  201   3HG2  ILE  26          HG23      ILE  26  62.223   4.054 -10.724
  202   1HD1  ILE  26          HD13      ILE  26  63.868   4.197 -11.763
  203   2HD1  ILE  26          HD12      ILE  26  63.440   5.357 -13.019
  204   3HD1  ILE  26          HD11      ILE  26  65.135   5.064 -12.630
  205    H    PHE  27           HN       PHE  27  63.294   6.490  -6.766
  206    HA   PHE  27           HA       PHE  27  60.588   5.479  -6.148
  207   1HB   PHE  27           HB2      PHE  27  63.058   5.774  -4.412
  208   2HB   PHE  27           HB1      PHE  27  61.675   4.720  -4.111
  209    HD1  PHE  27           HD2      PHE  27  61.071   3.356  -6.497
  210    HD2  PHE  27           HD1      PHE  27  64.941   4.575  -5.085
  211    HE1  PHE  27           HE2      PHE  27  62.129   1.577  -7.862
  212    HE2  PHE  27           HE1      PHE  27  65.999   2.796  -6.451
  213    HZ   PHE  27           HZ       PHE  27  64.593   1.298  -7.840
  214    H    VAL  28           HN       VAL  28  62.602   8.301  -5.491
  215    HA   VAL  28           HA       VAL  28  60.896   9.348  -3.367
  216    HB   VAL  28           HB       VAL  28  62.403  11.283  -3.604
  217   1HG1  VAL  28          HG11      VAL  28  63.126   8.676  -2.943
  218   2HG1  VAL  28          HG13      VAL  28  64.416   9.217  -4.018
  219   3HG1  VAL  28          HG12      VAL  28  64.039  10.135  -2.559
  220   1HG2  VAL  28          HG22      VAL  28  62.445  11.209  -6.119
  221   2HG2  VAL  28          HG21      VAL  28  64.041  11.393  -5.390
  222   3HG2  VAL  28          HG23      VAL  28  63.530   9.823  -6.009
  223    H    LEU  29           HN       LEU  29  60.263   8.937  -6.559
  224    HA   LEU  29           HA       LEU  29  59.405  11.408  -7.608
  225   1HB   LEU  29           HB2      LEU  29  58.923   8.543  -7.975
  226   2HB   LEU  29           HB1      LEU  29  57.528   9.525  -8.424
  227    HG   LEU  29           HG       LEU  29  59.187   9.133 -10.296
  228   1HD1  LEU  29          HD13      LEU  29  57.764  11.436  -9.554
  229   2HD1  LEU  29          HD12      LEU  29  59.354  12.021 -10.046
  230   3HD1  LEU  29          HD11      LEU  29  58.386  11.055 -11.158
  231   1HD2  LEU  29          HD21      LEU  29  60.984  10.011  -8.252
  232   2HD2  LEU  29          HD23      LEU  29  61.373   9.507  -9.897
  233   3HD2  LEU  29          HD22      LEU  29  61.023  11.202  -9.553
  234    H    GLY  30           HN       GLY  30  58.526  12.606  -5.744
  235   1HA   GLY  30           HA2      GLY  30  56.072  13.317  -5.406
  236   2HA   GLY  30           HA1      GLY  30  55.831  11.652  -4.869
  237    H    ALA  31           HN       ALA  31  58.743  11.970  -3.736
  238    HA   ALA  31           HA       ALA  31  58.075  12.308  -1.013
  239   1HB   ALA  31           HB1      ALA  31  60.149  11.309  -1.948
  240   2HB   ALA  31           HB3      ALA  31  60.676  12.913  -2.459
  241   3HB   ALA  31           HB2      ALA  31  60.513  12.542  -0.742
  242    H    GLU  32           HN       GLU  32  59.463  14.226   0.219
  243    HA   GLU  32           HA       GLU  32  58.362  16.780  -0.899
  244   1HB   GLU  32           HB2      GLU  32  58.488  17.452   1.554
  245   2HB   GLU  32           HB1      GLU  32  57.360  16.144   1.197
  246   1HG   GLU  32           HG2      GLU  32  58.644  14.561   2.253
  247   2HG   GLU  32           HG1      GLU  32  60.159  15.359   1.833
  248    H    ASP  33           HN       ASP  33  61.244  15.170   0.305
  249    HA   ASP  33           HA       ASP  33  62.811  17.656  -0.307
  250   1HB   ASP  33           HB2      ASP  33  64.192  17.142   1.600
  251   2HB   ASP  33           HB1      ASP  33  62.517  17.012   2.138
  252    H    GLY  34           HN       GLY  34  62.265  14.387  -1.046
  253   1HA   GLY  34           HA2      GLY  34  63.406  13.423  -2.996
  254   2HA   GLY  34           HA1      GLY  34  64.867  14.277  -2.503
  255    H    CYS  35           HN       CYS  35  62.588  12.091  -0.810
  256    HA   CYS  35           HA       CYS  35  64.957  10.408  -0.061
  257   1HB   CYS  35           HB2      CYS  35  62.663  11.526   1.552
  258   2HB   CYS  35           HB1      CYS  35  63.533  10.093   2.101
  259    HG   CYS  35           HG       CYS  35  65.101  12.730   1.504
  260    H    ILE  36           HN       ILE  36  64.325   8.131   0.452
  261    HA   ILE  36           HA       ILE  36  62.004   7.273  -1.231
  262    HB   ILE  36           HB       ILE  36  64.086   5.386  -0.187
  263   1HG1  ILE  36          HG12      ILE  36  64.592   7.383  -2.423
  264   2HG1  ILE  36          HG11      ILE  36  65.419   7.355  -0.865
  265   1HG2  ILE  36          HG23      ILE  36  62.203   5.639  -2.445
  266   2HG2  ILE  36          HG22      ILE  36  63.781   4.987  -2.882
  267   3HG2  ILE  36          HG21      ILE  36  62.811   4.191  -1.642
  268   1HD1  ILE  36          HD12      ILE  36  65.546   4.733  -2.025
  269   2HD1  ILE  36          HD11      ILE  36  66.101   5.910  -3.214
  270   3HD1  ILE  36          HD13      ILE  36  66.874   5.823  -1.633
  271    H    SER  37           HN       SER  37  60.646   7.908   0.746
  272    HA   SER  37           HA       SER  37  60.767   6.736   3.287
  273   1HB   SER  37           HB2      SER  37  59.090   8.373   1.928
  274   2HB   SER  37           HB1      SER  37  58.111   6.909   1.960
  275    HG   SER  37           HG       SER  37  57.941   7.060   4.079
  276    H    THR  38           HN       THR  38  59.416   4.918   4.147
  277    HA   THR  38           HA       THR  38  59.947   2.433   2.868
  278    HB   THR  38           HB       THR  38  58.513   1.557   4.651
  279    HG1  THR  38           HG1      THR  38  56.769   2.839   4.653
  280   1HG2  THR  38          HG22      THR  38  60.602   3.515   5.049
  281   2HG2  THR  38          HG21      THR  38  59.451   3.570   6.384
  282   3HG2  THR  38          HG23      THR  38  60.259   2.055   5.977
  283    H    LYS  39           HN       LYS  39  56.843   4.221   3.140
  284    HA   LYS  39           HA       LYS  39  55.112   2.549   1.774
  285   1HB   LYS  39           HB2      LYS  39  55.501   5.487   2.051
  286   2HB   LYS  39           HB1      LYS  39  54.377   4.964   0.797
  287   1HG   LYS  39           HG2      LYS  39  52.923   3.968   2.321
  288   2HG   LYS  39           HG1      LYS  39  54.185   3.750   3.535
  289   1HD   LYS  39           HD2      LYS  39  53.469   5.644   4.520
  290   2HD   LYS  39           HD1      LYS  39  54.036   6.527   3.102
  291   1HE   LYS  39           HE2      LYS  39  51.719   5.726   2.074
  292   2HE   LYS  39           HE1      LYS  39  51.256   5.638   3.784
  293   1HZ   LYS  39           HZ2      LYS  39  52.632   7.971   2.569
  294   2HZ   LYS  39           HZ1      LYS  39  50.946   7.877   2.764
  295   3HZ   LYS  39           HZ3      LYS  39  51.957   7.870   4.126
  296    H    GLU  40           HN       GLU  40  57.731   4.481   0.401
  297    HA   GLU  40           HA       GLU  40  56.968   3.589  -2.348
  298   1HB   GLU  40           HB2      GLU  40  58.503   5.838  -1.106
  299   2HB   GLU  40           HB1      GLU  40  58.958   5.335  -2.734
  300   1HG   GLU  40           HG2      GLU  40  56.506   5.515  -3.362
  301   2HG   GLU  40           HG1      GLU  40  56.240   6.281  -1.796
  302    H    LEU  41           HN       LEU  41  58.060   1.591  -0.656
  303    HA   LEU  41           HA       LEU  41  60.820   1.275  -1.795
  304   1HB   LEU  41           HB2      LEU  41  60.515   1.684   0.719
  305   2HB   LEU  41           HB1      LEU  41  59.761   0.091   0.782
  306    HG   LEU  41           HG       LEU  41  62.224   0.068   1.302
  307   1HD1  LEU  41          HD11      LEU  41  60.768  -1.783   0.051
  308   2HD1  LEU  41          HD13      LEU  41  61.883  -1.422  -1.268
  309   3HD1  LEU  41          HD12      LEU  41  62.504  -1.988   0.283
  310   1HD2  LEU  41          HD23      LEU  41  62.647   1.890  -0.490
  311   2HD2  LEU  41          HD22      LEU  41  63.825   0.583  -0.364
  312   3HD2  LEU  41          HD21      LEU  41  62.618   0.562  -1.650
  313    H    GLY  42           HN       GLY  42  57.985  -0.541  -0.562
  314   1HA   GLY  42           HA2      GLY  42  58.593  -3.110  -1.400
  315   2HA   GLY  42           HA1      GLY  42  56.955  -2.458  -1.476
  316    H    LYS  43           HN       LYS  43  56.918  -0.684  -3.455
  317    HA   LYS  43           HA       LYS  43  56.972  -2.211  -5.852
  318   1HB   LYS  43           HB2      LYS  43  56.314  -0.166  -6.860
  319   2HB   LYS  43           HB1      LYS  43  55.753  -0.020  -5.196
  320   1HG   LYS  43           HG2      LYS  43  57.724   1.298  -4.608
  321   2HG   LYS  43           HG1      LYS  43  58.381   1.086  -6.232
  322   1HD   LYS  43           HD2      LYS  43  55.931   2.075  -6.844
  323   2HD   LYS  43           HD1      LYS  43  56.202   2.868  -5.291
  324   1HE   LYS  43           HE2      LYS  43  58.599   3.365  -6.330
  325   2HE   LYS  43           HE1      LYS  43  57.719   3.172  -7.860
  326   1HZ   LYS  43           HZ2      LYS  43  55.955   4.595  -6.529
  327   2HZ   LYS  43           HZ1      LYS  43  57.353   5.161  -5.749
  328   3HZ   LYS  43           HZ3      LYS  43  57.196   5.328  -7.429
  329    H    VAL  44           HN       VAL  44  59.509  -0.499  -4.200
  330    HA   VAL  44           HA       VAL  44  61.264  -0.221  -6.524
  331    HB   VAL  44           HB       VAL  44  61.873  -0.145  -3.552
  332   1HG1  VAL  44          HG13      VAL  44  63.434   0.252  -5.949
  333   2HG1  VAL  44          HG12      VAL  44  63.352   1.755  -5.031
  334   3HG1  VAL  44          HG11      VAL  44  63.964   0.287  -4.268
  335   1HG2  VAL  44          HG21      VAL  44  60.481   1.760  -5.376
  336   2HG2  VAL  44          HG23      VAL  44  60.266   1.503  -3.645
  337   3HG2  VAL  44          HG22      VAL  44  61.635   2.445  -4.233
  338    H    MET  45           HN       MET  45  61.056  -2.419  -3.714
  339    HA   MET  45           HA       MET  45  63.342  -4.026  -4.489
  340   1HB   MET  45           HB2      MET  45  61.090  -4.096  -2.523
  341   2HB   MET  45           HB1      MET  45  61.953  -5.605  -2.825
  342   1HG   MET  45           HG2      MET  45  63.669  -3.224  -2.440
  343   2HG   MET  45           HG1      MET  45  62.769  -3.744  -1.015
  344   1HE   MET  45           HE3      MET  45  65.635  -3.401  -1.673
  345   2HE   MET  45           HE2      MET  45  66.590  -4.800  -1.189
  346   3HE   MET  45           HE1      MET  45  66.234  -4.533  -2.894
  347    H    ARG  46           HN       ARG  46  60.043  -3.875  -5.508
  348    HA   ARG  46           HA       ARG  46  59.738  -6.630  -6.363
  349   1HB   ARG  46           HB2      ARG  46  58.297  -4.102  -6.352
  350   2HB   ARG  46           HB1      ARG  46  58.067  -4.960  -7.877
  351   1HG   ARG  46           HG2      ARG  46  57.019  -6.757  -6.871
  352   2HG   ARG  46           HG1      ARG  46  57.877  -6.536  -5.345
  353   1HD   ARG  46           HD2      ARG  46  56.349  -4.999  -4.556
  354   2HD   ARG  46           HD1      ARG  46  56.011  -4.353  -6.174
  355    HE   ARG  46           HE       ARG  46  55.161  -7.100  -5.999
  356   1HH1  ARG  46          HH21      ARG  46  54.425  -4.031  -4.636
  357   2HH1  ARG  46          HH22      ARG  46  52.710  -4.256  -4.714
  358   1HH2  ARG  46          HH11      ARG  46  52.915  -7.344  -6.276
  359   2HH2  ARG  46          HH12      ARG  46  51.855  -6.129  -5.643
  360    H    MET  47           HN       MET  47  60.481  -3.590  -8.115
  361    HA   MET  47           HA       MET  47  60.965  -5.002 -10.631
  362   1HB   MET  47           HB2      MET  47  61.376  -2.782 -11.455
  363   2HB   MET  47           HB1      MET  47  60.081  -2.633 -10.268
  364   1HG   MET  47           HG2      MET  47  61.784  -2.032  -8.544
  365   2HG   MET  47           HG1      MET  47  63.022  -2.071  -9.799
  366   1HE   MET  47           HE3      MET  47  63.877  -0.469 -10.607
  367   2HE   MET  47           HE2      MET  47  62.936   0.017 -12.015
  368   3HE   MET  47           HE1      MET  47  63.359   1.212 -10.792
  369    H    LEU  48           HN       LEU  48  62.993  -3.421  -8.145
  370    HA   LEU  48           HA       LEU  48  65.531  -3.603  -9.277
  371   1HB   LEU  48           HB2      LEU  48  64.321  -3.761  -6.564
  372   2HB   LEU  48           HB1      LEU  48  66.007  -4.259  -6.695
  373    HG   LEU  48           HG       LEU  48  65.559  -1.775  -6.207
  374   1HD1  LEU  48          HD12      LEU  48  67.707  -2.823  -7.088
  375   2HD1  LEU  48          HD11      LEU  48  67.181  -2.333  -8.698
  376   3HD1  LEU  48          HD13      LEU  48  67.487  -1.114  -7.461
  377   1HD2  LEU  48          HD22      LEU  48  64.762  -1.925  -9.130
  378   2HD2  LEU  48          HD21      LEU  48  63.766  -1.368  -7.786
  379   3HD2  LEU  48          HD23      LEU  48  65.165  -0.425  -8.297
  380    H    GLY  49           HN       GLY  49  63.505  -6.227  -8.091
  381   1HA   GLY  49           HA2      GLY  49  64.041  -8.438  -9.223
  382   2HA   GLY  49           HA1      GLY  49  65.714  -8.138  -8.748
  383    H    GLN  50           HN       GLN  50  63.576  -7.022  -6.381
  384    HA   GLN  50           HA       GLN  50  64.058  -9.501  -4.761
  385   1HB   GLN  50           HB2      GLN  50  63.879  -6.548  -4.157
  386   2HB   GLN  50           HB1      GLN  50  63.690  -7.745  -2.875
  387   1HG   GLN  50           HG2      GLN  50  65.977  -7.456  -2.770
  388   2HG   GLN  50           HG1      GLN  50  65.911  -8.734  -3.984
  389   1HE2  GLN  50          HE22      GLN  50  68.033  -6.267  -5.620
  390   2HE2  GLN  50          HE21      GLN  50  68.129  -7.505  -4.463
  391    H    ASN  51           HN       ASN  51  62.312  -9.762  -2.992
  392    HA   ASN  51           HA       ASN  51  59.621  -8.793  -3.806
  393   1HB   ASN  51           HB2      ASN  51  58.860 -11.227  -3.730
  394   2HB   ASN  51           HB1      ASN  51  59.893 -10.808  -5.098
  395   1HD2  ASN  51          HD22      ASN  51  61.591 -13.789  -3.990
  396   2HD2  ASN  51          HD21      ASN  51  60.365 -13.253  -5.035
  397    HA   PRO  52           HA       PRO  52  60.477  -9.377   0.771
  398   1HB   PRO  52           HB2      PRO  52  60.301  -6.743   1.489
  399   2HB   PRO  52           HB1      PRO  52  61.824  -7.507   0.986
  400   1HG   PRO  52           HG2      PRO  52  59.986  -5.755  -0.561
  401   2HG   PRO  52           HG1      PRO  52  61.755  -5.827  -0.570
  402   1HD   PRO  52           HD2      PRO  52  60.173  -6.944  -2.504
  403   2HD   PRO  52           HD1      PRO  52  61.806  -7.520  -2.102
  404    H    THR  53           HN       THR  53  58.725  -9.619   2.163
  405    HA   THR  53           HA       THR  53  56.049  -9.244   1.202
  406    HB   THR  53           HB       THR  53  55.952  -9.468   3.983
  407    HG1  THR  53           HG1      THR  53  57.651 -10.991   4.359
  408   1HG2  THR  53          HG22      THR  53  54.783 -10.866   2.303
  409   2HG2  THR  53          HG21      THR  53  56.310 -11.670   1.931
  410   3HG2  THR  53          HG23      THR  53  55.585 -11.848   3.530
  411    HA   PRO  54           HA       PRO  54  54.965  -5.215   2.562
  412   1HB   PRO  54           HB2      PRO  54  52.686  -5.552   4.043
  413   2HB   PRO  54           HB1      PRO  54  52.729  -5.734   2.279
  414   1HG   PRO  54           HG2      PRO  54  52.754  -7.824   4.398
  415   2HG   PRO  54           HG1      PRO  54  51.926  -7.814   2.833
  416   1HD   PRO  54           HD2      PRO  54  54.239  -9.178   3.296
  417   2HD   PRO  54           HD1      PRO  54  53.779  -8.543   1.700
  418    H    GLU  55           HN       GLU  55  54.886  -7.600   5.204
  419    HA   GLU  55           HA       GLU  55  55.210  -5.636   7.327
  420   1HB   GLU  55           HB2      GLU  55  54.720  -8.430   6.974
  421   2HB   GLU  55           HB1      GLU  55  56.115  -8.263   8.040
  422   1HG   GLU  55           HG2      GLU  55  54.776  -6.589   9.382
  423   2HG   GLU  55           HG1      GLU  55  53.374  -7.026   8.406
  424    H    GLU  56           HN       GLU  56  57.367  -7.470   5.247
  425    HA   GLU  56           HA       GLU  56  59.776  -7.179   6.808
  426   1HB   GLU  56           HB2      GLU  56  58.928  -7.955   4.067
  427   2HB   GLU  56           HB1      GLU  56  60.602  -7.423   4.229
  428   1HG   GLU  56           HG2      GLU  56  60.786  -9.031   6.201
  429   2HG   GLU  56           HG1      GLU  56  59.233  -9.690   5.687
  430    H    LEU  57           HN       LEU  57  58.180  -5.176   4.357
  431    HA   LEU  57           HA       LEU  57  60.183  -3.353   3.669
  432   1HB   LEU  57           HB2      LEU  57  57.245  -3.423   3.905
  433   2HB   LEU  57           HB1      LEU  57  57.928  -1.798   3.951
  434    HG   LEU  57           HG       LEU  57  59.171  -2.258   1.867
  435   1HD1  LEU  57          HD13      LEU  57  59.217  -4.790   2.376
  436   2HD1  LEU  57          HD12      LEU  57  57.604  -4.831   1.665
  437   3HD1  LEU  57          HD11      LEU  57  58.982  -4.312   0.696
  438   1HD2  LEU  57          HD21      LEU  57  56.183  -2.716   1.889
  439   2HD2  LEU  57          HD23      LEU  57  57.056  -1.233   1.503
  440   3HD2  LEU  57          HD22      LEU  57  57.090  -2.595   0.382
  441    H    GLN  58           HN       GLN  58  57.766  -2.579   6.200
  442    HA   GLN  58           HA       GLN  58  59.309  -0.494   7.390
  443   1HB   GLN  58           HB2      GLN  58  56.996  -0.526   7.822
  444   2HB   GLN  58           HB1      GLN  58  56.996  -2.250   8.192
  445   1HG   GLN  58           HG2      GLN  58  56.750  -0.675  10.192
  446   2HG   GLN  58           HG1      GLN  58  58.018  -1.894  10.319
  447   1HE2  GLN  58          HE22      GLN  58  59.611   1.674   9.146
  448   2HE2  GLN  58          HE21      GLN  58  58.419   0.915   8.203
  449    H    GLU  59           HN       GLU  59  58.967  -3.943   8.268
  450    HA   GLU  59           HA       GLU  59  60.499  -3.980  10.634
  451   1HB   GLU  59           HB2      GLU  59  59.132  -5.807   9.476
  452   2HB   GLU  59           HB1      GLU  59  60.547  -6.085   8.458
  453   1HG   GLU  59           HG2      GLU  59  61.154  -5.943  11.335
  454   2HG   GLU  59           HG1      GLU  59  60.115  -7.296  10.887
  455    H    MET  60           HN       MET  60  61.684  -4.619   7.301
  456    HA   MET  60           HA       MET  60  64.462  -4.713   8.055
  457   1HB   MET  60           HB2      MET  60  63.226  -5.607   5.978
  458   2HB   MET  60           HB1      MET  60  63.329  -3.960   5.354
  459   1HG   MET  60           HG2      MET  60  65.302  -4.806   4.502
  460   2HG   MET  60           HG1      MET  60  65.885  -4.244   6.068
  461   1HE   MET  60           HE3      MET  60  67.702  -5.442   5.455
  462   2HE   MET  60           HE2      MET  60  68.039  -6.853   6.454
  463   3HE   MET  60           HE1      MET  60  67.688  -7.060   4.740
  464    H    ILE  61           HN       ILE  61  62.264  -2.087   7.373
  465    HA   ILE  61           HA       ILE  61  64.474  -0.141   6.991
  466    HB   ILE  61           HB       ILE  61  61.446  -0.033   6.917
  467   1HG1  ILE  61          HG12      ILE  61  63.349   0.631   4.682
  468   2HG1  ILE  61          HG11      ILE  61  62.971  -1.054   5.041
  469   1HG2  ILE  61          HG23      ILE  61  63.484   2.139   6.989
  470   2HG2  ILE  61          HG22      ILE  61  62.164   2.317   5.832
  471   3HG2  ILE  61          HG21      ILE  61  61.813   2.147   7.552
  472   1HD1  ILE  61          HD11      ILE  61  60.476   0.082   5.076
  473   2HD1  ILE  61          HD13      ILE  61  61.278   1.033   3.826
  474   3HD1  ILE  61          HD12      ILE  61  61.183  -0.721   3.675
  475    H    ASP  62           HN       ASP  62  62.845  -1.545   9.577
  476    HA   ASP  62           HA       ASP  62  62.795   0.892  11.264
  477   1HB   ASP  62           HB2      ASP  62  61.069  -1.059  11.112
  478   2HB   ASP  62           HB1      ASP  62  62.215  -1.937  12.123
  479    H    GLU  63           HN       GLU  63  64.995  -1.595  10.458
  480    HA   GLU  63           HA       GLU  63  66.421  -1.349  13.079
  481   1HB   GLU  63           HB2      GLU  63  66.791  -3.296  10.781
  482   2HB   GLU  63           HB1      GLU  63  67.495  -3.430  12.393
  483   1HG   GLU  63           HG2      GLU  63  64.566  -3.101  12.379
  484   2HG   GLU  63           HG1      GLU  63  65.132  -4.597  11.634
  485    H    VAL  64           HN       VAL  64  67.035  -1.298   9.546
  486    HA   VAL  64           HA       VAL  64  69.778  -0.432   9.798
  487    HB   VAL  64           HB       VAL  64  68.508  -1.595   7.871
  488   1HG1  VAL  64          HG11      VAL  64  67.054   0.805   7.962
  489   2HG1  VAL  64          HG13      VAL  64  68.047   0.928   6.510
  490   3HG1  VAL  64          HG12      VAL  64  66.954  -0.440   6.719
  491   1HG2  VAL  64          HG21      VAL  64  70.867  -0.339   7.936
  492   2HG2  VAL  64          HG23      VAL  64  70.208  -0.983   6.431
  493   3HG2  VAL  64          HG22      VAL  64  70.046   0.734   6.803
  494    H    ASP  65           HN       ASP  65  66.764   1.228  10.070
  495    HA   ASP  65           HA       ASP  65  67.590   3.845   9.172
  496   1HB   ASP  65           HB2      ASP  65  65.255   2.717   9.729
  497   2HB   ASP  65           HB1      ASP  65  65.557   3.388  11.332
  498    H    GLU  66           HN       GLU  66  69.395   4.758  10.130
  499    HA   GLU  66           HA       GLU  66  69.832   4.445  13.050
  500   1HB   GLU  66           HB2      GLU  66  71.408   5.580  10.725
  501   2HB   GLU  66           HB1      GLU  66  71.985   5.648  12.392
  502   1HG   GLU  66           HG2      GLU  66  72.244   3.336  12.539
  503   2HG   GLU  66           HG1      GLU  66  71.067   3.021  11.265
  504    H    ASP  67           HN       ASP  67  69.043   6.934  10.653
  505    HA   ASP  67           HA       ASP  67  69.330   9.194  12.439
  506   1HB   ASP  67           HB2      ASP  67  68.021  10.309  10.603
  507   2HB   ASP  67           HB1      ASP  67  69.410   9.398  10.012
  508    H    GLY  68           HN       GLY  68  67.013   6.698  12.235
  509   1HA   GLY  68           HA2      GLY  68  64.975   6.376  13.351
  510   2HA   GLY  68           HA1      GLY  68  65.415   7.753  14.362
  511    H    SER  69           HN       SER  69  65.460   8.459  11.030
  512    HA   SER  69           HA       SER  69  63.230  10.321  11.297
  513   1HB   SER  69           HB2      SER  69  63.985  11.069   9.184
  514   2HB   SER  69           HB1      SER  69  65.449  10.458   9.946
  515    HG   SER  69           HG       SER  69  64.970   8.438   8.855
  516    H    GLY  70           HN       GLY  70  63.691   7.094   9.982
  517   1HA   GLY  70           HA2      GLY  70  61.826   5.579   9.657
  518   2HA   GLY  70           HA1      GLY  70  60.773   6.976   9.427
  519    H    THR  71           HN       THR  71  62.968   8.165   7.648
  520    HA   THR  71           HA       THR  71  61.992   6.919   5.150
  521    HB   THR  71           HB       THR  71  63.466   8.908   4.276
  522    HG1  THR  71           HG1      THR  71  64.354   8.991   6.554
  523   1HG2  THR  71          HG21      THR  71  60.807   8.687   5.262
  524   2HG2  THR  71          HG23      THR  71  61.427  10.257   5.770
  525   3HG2  THR  71          HG22      THR  71  61.426   9.820   4.060
  526    H    VAL  72           HN       VAL  72  63.621   6.425   3.413
  527    HA   VAL  72           HA       VAL  72  66.128   5.275   4.586
  528    HB   VAL  72           HB       VAL  72  64.706   4.405   2.061
  529   1HG1  VAL  72          HG12      VAL  72  67.128   3.713   3.053
  530   2HG1  VAL  72          HG11      VAL  72  66.113   2.533   3.882
  531   3HG1  VAL  72          HG13      VAL  72  66.119   2.608   2.121
  532   1HG2  VAL  72          HG21      VAL  72  64.136   3.668   4.941
  533   2HG2  VAL  72          HG23      VAL  72  62.992   4.205   3.710
  534   3HG2  VAL  72          HG22      VAL  72  63.714   2.600   3.603
  535    H    ASP  73           HN       ASP  73  67.590   6.965   4.121
  536    HA   ASP  73           HA       ASP  73  67.599   8.207   1.435
  537   1HB   ASP  73           HB2      ASP  73  67.926   9.532   3.489
  538   2HB   ASP  73           HB1      ASP  73  69.334   8.553   3.903
  539    H    PHE  74           HN       PHE  74  69.830   8.369   0.345
  540    HA   PHE  74           HA       PHE  74  70.813   5.949  -0.565
  541   1HB   PHE  74           HB2      PHE  74  71.349   8.471  -1.105
  542   2HB   PHE  74           HB1      PHE  74  72.698   8.224   0.005
  543    HD1  PHE  74           HD1      PHE  74  71.086   5.911  -2.462
  544    HD2  PHE  74           HD2      PHE  74  74.643   8.014  -1.289
  545    HE1  PHE  74           HE1      PHE  74  72.357   4.760  -4.254
  546    HE2  PHE  74           HE2      PHE  74  75.913   6.864  -3.080
  547    HZ   PHE  74           HZ       PHE  74  74.771   5.237  -4.563
  548    H    ASP  75           HN       ASP  75  71.546   7.516   2.502
  549    HA   ASP  75           HA       ASP  75  73.871   5.974   3.201
  550   1HB   ASP  75           HB2      ASP  75  71.771   7.142   5.047
  551   2HB   ASP  75           HB1      ASP  75  73.492   6.933   5.374
  552    H    GLU  76           HN       GLU  76  70.544   5.679   4.514
  553    HA   GLU  76           HA       GLU  76  71.046   2.981   5.503
  554   1HB   GLU  76           HB2      GLU  76  68.465   4.536   5.138
  555   2HB   GLU  76           HB1      GLU  76  68.716   3.167   6.221
  556   1HG   GLU  76           HG2      GLU  76  69.954   4.407   7.730
  557   2HG   GLU  76           HG1      GLU  76  70.538   5.523   6.494
  558    H    PHE  77           HN       PHE  77  69.324   4.406   2.732
  559    HA   PHE  77           HA       PHE  77  67.910   2.263   1.689
  560   1HB   PHE  77           HB2      PHE  77  68.060   4.519   0.709
  561   2HB   PHE  77           HB1      PHE  77  69.732   4.212   0.238
  562    HD1  PHE  77           HD2      PHE  77  66.433   2.430  -0.031
  563    HD2  PHE  77           HD1      PHE  77  70.046   3.666  -1.996
  564    HE1  PHE  77           HE2      PHE  77  65.651   1.371  -2.132
  565    HE2  PHE  77           HE1      PHE  77  69.265   2.607  -4.098
  566    HZ   PHE  77           HZ       PHE  77  67.067   1.460  -4.166
  567    H    LEU  78           HN       LEU  78  71.416   2.861   1.263
  568    HA   LEU  78           HA       LEU  78  71.893   0.458  -0.272
  569   1HB   LEU  78           HB2      LEU  78  73.423   2.614   1.090
  570   2HB   LEU  78           HB1      LEU  78  74.295   1.109   0.800
  571    HG   LEU  78           HG       LEU  78  72.697   2.453  -1.379
  572   1HD1  LEU  78          HD13      LEU  78  74.556   3.916  -0.294
  573   2HD1  LEU  78          HD12      LEU  78  75.675   2.780  -1.046
  574   3HD1  LEU  78          HD11      LEU  78  74.567   3.719  -2.046
  575   1HD2  LEU  78          HD22      LEU  78  74.776   0.290  -1.167
  576   2HD2  LEU  78          HD21      LEU  78  73.245   0.276  -2.042
  577   3HD2  LEU  78          HD23      LEU  78  74.611   1.198  -2.670
  578    H    VAL  79           HN       VAL  79  72.587   1.291   3.149
  579    HA   VAL  79           HA       VAL  79  73.632  -1.127   4.059
  580    HB   VAL  79           HB       VAL  79  71.591   0.653   5.433
  581   1HG1  VAL  79          HG11      VAL  79  73.787  -1.140   6.517
  582   2HG1  VAL  79          HG13      VAL  79  72.784  -0.062   7.488
  583   3HG1  VAL  79          HG12      VAL  79  72.053  -1.431   6.650
  584   1HG2  VAL  79          HG22      VAL  79  74.116   1.308   4.354
  585   2HG2  VAL  79          HG21      VAL  79  73.158   2.275   5.475
  586   3HG2  VAL  79          HG23      VAL  79  74.366   1.149   6.092
  587    H    MET  80           HN       MET  80  70.247  -0.330   3.374
  588    HA   MET  80           HA       MET  80  69.098  -2.718   4.519
  589   1HB   MET  80           HB2      MET  80  68.289  -0.320   3.277
  590   2HB   MET  80           HB1      MET  80  67.656  -1.612   2.255
  591   1HG   MET  80           HG2      MET  80  66.504  -2.623   4.101
  592   2HG   MET  80           HG1      MET  80  67.324  -1.580   5.262
  593   1HE   MET  80           HE1      MET  80  64.998  -2.164   2.577
  594   2HE   MET  80           HE3      MET  80  63.786  -0.875   2.594
  595   3HE   MET  80           HE2      MET  80  65.299  -0.654   1.720
  596    H    MET  81           HN       MET  81  70.381  -1.890   1.318
  597    HA   MET  81           HA       MET  81  69.500  -4.333   0.016
  598   1HB   MET  81           HB2      MET  81  71.001  -1.888  -0.543
  599   2HB   MET  81           HB1      MET  81  71.706  -3.288  -1.348
  600   1HG   MET  81           HG2      MET  81  69.652  -3.802  -2.460
  601   2HG   MET  81           HG1      MET  81  68.747  -2.673  -1.452
  602   1HE   MET  81           HE3      MET  81  67.914  -2.268  -4.006
  603   2HE   MET  81           HE2      MET  81  67.719  -0.902  -2.909
  604   3HE   MET  81           HE1      MET  81  68.309  -0.630  -4.547
  605    H    VAL  82           HN       VAL  82  72.717  -3.212   1.151
  606    HA   VAL  82           HA       VAL  82  74.207  -5.545   0.651
  607    HB   VAL  82           HB       VAL  82  75.205  -3.465   1.373
  608   1HG1  VAL  82          HG12      VAL  82  73.464  -3.870   3.811
  609   2HG1  VAL  82          HG11      VAL  82  74.834  -2.758   3.810
  610   3HG1  VAL  82          HG13      VAL  82  73.484  -2.496   2.706
  611   1HG2  VAL  82          HG23      VAL  82  75.959  -5.889   2.349
  612   2HG2  VAL  82          HG22      VAL  82  76.846  -4.398   2.666
  613   3HG2  VAL  82          HG21      VAL  82  75.698  -5.010   3.857
  614    H    ARG  83           HN       ARG  83  71.787  -4.938   3.109
  615    HA   ARG  83           HA       ARG  83  72.548  -7.329   4.685
  616   1HB   ARG  83           HB2      ARG  83  70.604  -5.041   4.888
  617   2HB   ARG  83           HB1      ARG  83  70.379  -6.465   5.904
  618   1HG   ARG  83           HG2      ARG  83  72.479  -6.175   6.970
  619   2HG   ARG  83           HG1      ARG  83  73.038  -5.042   5.738
  620   1HD   ARG  83           HD2      ARG  83  71.385  -3.377   6.477
  621   2HD   ARG  83           HD1      ARG  83  70.762  -4.518   7.687
  622    HE   ARG  83           HE       ARG  83  73.617  -3.610   7.702
  623   1HH1  ARG  83          HH21      ARG  83  71.875  -5.699   9.435
  624   2HH1  ARG  83          HH22      ARG  83  71.899  -4.842  10.941
  625   1HH2  ARG  83          HH11      ARG  83  73.111  -1.904   9.553
  626   2HH2  ARG  83          HH12      ARG  83  72.601  -2.695  11.007
  627    H    CYS  84           HN       CYS  84  70.135  -6.312   2.321
  628    HA   CYS  84           HA       CYS  84  68.648  -8.875   2.685
  629   1HB   CYS  84           HB2      CYS  84  67.794  -6.325   2.477
  630   2HB   CYS  84           HB1      CYS  84  67.797  -6.759   0.768
  631    HG   CYS  84           HG       CYS  84  65.544  -7.440   2.331
  632    H    MET  85           HN       MET  85  71.150  -7.640   0.804
  633    HA   MET  85           HA       MET  85  70.358  -9.047  -1.686
  634   1HB   MET  85           HB2      MET  85  72.207  -7.865  -2.637
  635   2HB   MET  85           HB1      MET  85  71.466  -6.737  -1.501
  636   1HG   MET  85           HG2      MET  85  73.152  -7.156   0.154
  637   2HG   MET  85           HG1      MET  85  73.784  -8.535  -0.745
  638   1HE   MET  85           HE2      MET  85  72.415  -5.618  -2.663
  639   2HE   MET  85           HE1      MET  85  72.890  -4.721  -1.223
  640   3HE   MET  85           HE3      MET  85  73.711  -4.428  -2.763
  641    H    LYS  86           HN       LYS  86  71.840  -9.855   1.216
  642    HA   LYS  86           HA       LYS  86  73.541 -11.956  -0.086
  643   1HB   LYS  86           HB2      LYS  86  74.093  -9.986   1.827
  644   2HB   LYS  86           HB1      LYS  86  73.958 -11.476   2.761
  645   1HG   LYS  86           HG2      LYS  86  75.672 -12.543   1.521
  646   2HG   LYS  86           HG1      LYS  86  75.592 -11.347   0.227
  647   1HD   LYS  86           HD2      LYS  86  77.311 -10.309   1.265
  648   2HD   LYS  86           HD1      LYS  86  76.132  -9.817   2.482
  649   1HE   LYS  86           HE2      LYS  86  76.596 -12.130   3.575
  650   2HE   LYS  86           HE1      LYS  86  78.058 -12.139   2.568
  651   1HZ   LYS  86           HZ1      LYS  86  78.200  -9.681   3.434
  652   2HZ   LYS  86           HZ3      LYS  86  77.306 -10.309   4.732
  653   3HZ   LYS  86           HZ2      LYS  86  78.826 -10.965   4.353
  654    H    ASP  87           HN       ASP  87  73.485 -14.092   0.920
  655    HA   ASP  87           HA       ASP  87  70.808 -14.850   1.848
  656   1HB   ASP  87           HB2      ASP  87  72.655 -16.021   0.303
  657   2HB   ASP  87           HB1      ASP  87  73.159 -16.699   1.852
  658    H    ASP  88           HN       ASP  88  70.586 -13.958   3.966
  659    HA   ASP  88           HA       ASP  88  72.426 -15.138   6.023
  660   1HB   ASP  88           HB2      ASP  88  72.371 -13.038   7.166
  661   2HB   ASP  88           HB1      ASP  88  72.612 -12.634   5.467
  662    H    SER  89           HN       SER  89  69.851 -16.186   5.021
  663    HA   SER  89           HA       SER  89  68.046 -15.715   7.358
  664   1HB   SER  89           HB2      SER  89  67.489 -15.527   4.774
  665   2HB   SER  89           HB1      SER  89  67.337 -17.277   4.895
  666    HG   SER  89           HG       SER  89  65.919 -16.813   6.740
   
  No H/Q in entry =         666
  Start of MODEL   15
    1   1H    MET   1           HT1      MET   1  82.701  -0.877  16.616
    2   2H    MET   1           HT3      MET   1  81.776  -0.960  18.035
    3   3H    MET   1           HT2      MET   1  81.144  -0.198  16.654
    4    HA   MET   1           HA       MET   1  81.807   1.568  18.038
    5   1HB   MET   1           HB2      MET   1  83.721  -0.511  18.780
    6   2HB   MET   1           HB1      MET   1  84.492   1.068  18.629
    7   1HG   MET   1           HG2      MET   1  82.244   1.770  19.974
    8   2HG   MET   1           HG1      MET   1  82.469   0.132  20.586
    9   1HE   MET   1           HE1      MET   1  83.905  -0.749  21.707
   10   2HE   MET   1           HE3      MET   1  85.627  -0.347  21.748
   11   3HE   MET   1           HE2      MET   1  84.581   0.104  23.092
   12    H    ASP   2           HN       ASP   2  84.285  -0.073  16.032
   13    HA   ASP   2           HA       ASP   2  85.122   2.517  14.874
   14   1HB   ASP   2           HB2      ASP   2  86.768   0.994  13.716
   15   2HB   ASP   2           HB1      ASP   2  86.805   0.870  15.475
   16    H    ASP   3           HN       ASP   3  82.436   1.952  14.251
   17    HA   ASP   3           HA       ASP   3  80.994   1.838  12.383
   18   1HB   ASP   3           HB2      ASP   3  83.638   2.123  10.918
   19   2HB   ASP   3           HB1      ASP   3  82.043   2.536  10.286
   20    H    ILE   4           HN       ILE   4  80.071  -0.099  11.852
   21    HA   ILE   4           HA       ILE   4  81.861  -2.329  10.947
   22    HB   ILE   4           HB       ILE   4  79.148  -2.280  12.307
   23   1HG1  ILE   4          HG12      ILE   4  81.744  -3.429  13.341
   24   2HG1  ILE   4          HG11      ILE   4  81.318  -1.738  13.602
   25   1HG2  ILE   4          HG22      ILE   4  80.239  -4.264  10.631
   26   2HG2  ILE   4          HG21      ILE   4  80.502  -4.841  12.276
   27   3HG2  ILE   4          HG23      ILE   4  78.874  -4.441  11.732
   28   1HD1  ILE   4          HD11      ILE   4  79.256  -3.801  14.243
   29   2HD1  ILE   4          HD13      ILE   4  80.620  -3.633  15.349
   30   3HD1  ILE   4          HD12      ILE   4  79.573  -2.251  15.023
   31    H    TYR   5           HN       TYR   5  78.353  -1.747  10.618
   32    HA   TYR   5           HA       TYR   5  78.104  -2.881   8.032
   33   1HB   TYR   5           HB2      TYR   5  76.566  -0.975   9.761
   34   2HB   TYR   5           HB1      TYR   5  76.038  -1.204   8.094
   35    HD1  TYR   5           HD2      TYR   5  76.669  -2.918  11.322
   36    HD2  TYR   5           HD1      TYR   5  75.032  -3.263   7.365
   37    HE1  TYR   5           HE2      TYR   5  75.586  -5.057  11.956
   38    HE2  TYR   5           HE1      TYR   5  73.949  -5.403   8.001
   39    HH   TYR   5           HH       TYR   5  73.997  -6.567  11.329
   40    H    LYS   6           HN       LYS   6  78.799   0.463   9.024
   41    HA   LYS   6           HA       LYS   6  78.521   1.855   6.619
   42   1HB   LYS   6           HB2      LYS   6  80.260   1.982   9.032
   43   2HB   LYS   6           HB1      LYS   6  80.764   2.960   7.654
   44   1HG   LYS   6           HG2      LYS   6  78.075   3.478   7.726
   45   2HG   LYS   6           HG1      LYS   6  78.440   3.290   9.442
   46   1HD   LYS   6           HD2      LYS   6  79.061   5.478   9.299
   47   2HD   LYS   6           HD1      LYS   6  80.554   4.813   8.638
   48   1HE   LYS   6           HE2      LYS   6  79.780   5.139   6.366
   49   2HE   LYS   6           HE1      LYS   6  78.162   5.594   6.936
   50   1HZ   LYS   6           HZ2      LYS   6  80.550   7.008   7.931
   51   2HZ   LYS   6           HZ1      LYS   6  79.853   7.456   6.447
   52   3HZ   LYS   6           HZ3      LYS   6  78.939   7.544   7.873
   53    H    ALA   7           HN       ALA   7  80.852  -0.610   7.437
   54    HA   ALA   7           HA       ALA   7  82.732   0.041   5.288
   55   1HB   ALA   7           HB3      ALA   7  82.607  -1.547   7.633
   56   2HB   ALA   7           HB2      ALA   7  82.885  -2.662   6.295
   57   3HB   ALA   7           HB1      ALA   7  83.997  -1.321   6.572
   58    H    ALA   8           HN       ALA   8  80.388  -2.611   5.881
   59    HA   ALA   8           HA       ALA   8  80.650  -4.029   3.481
   60   1HB   ALA   8           HB2      ALA   8  78.950  -3.925   5.693
   61   2HB   ALA   8           HB1      ALA   8  77.875  -3.653   4.321
   62   3HB   ALA   8           HB3      ALA   8  78.870  -5.106   4.386
   63    H    VAL   9           HN       VAL   9  79.152  -0.900   4.041
   64    HA   VAL   9           HA       VAL   9  77.706  -0.783   1.518
   65    HB   VAL   9           HB       VAL   9  78.641   1.323   3.496
   66   1HG1  VAL   9          HG12      VAL   9  78.028   2.096   1.126
   67   2HG1  VAL   9          HG11      VAL   9  76.389   1.559   1.493
   68   3HG1  VAL   9          HG13      VAL   9  77.133   2.839   2.452
   69   1HG2  VAL   9          HG23      VAL   9  76.718  -0.731   3.721
   70   2HG2  VAL   9          HG22      VAL   9  76.923   0.651   4.795
   71   3HG2  VAL   9          HG21      VAL   9  75.803   0.750   3.437
   72    H    GLU  10           HN       GLU  10  80.856   0.413   2.686
   73    HA   GLU  10           HA       GLU  10  81.538   1.789   0.223
   74   1HB   GLU  10           HB2      GLU  10  82.529   1.420   2.869
   75   2HB   GLU  10           HB1      GLU  10  83.820   0.952   1.761
   76   1HG   GLU  10           HG2      GLU  10  82.263   3.513   1.389
   77   2HG   GLU  10           HG1      GLU  10  83.699   3.438   2.411
   78    H    GLN  11           HN       GLN  11  81.752  -1.513   1.338
   79    HA   GLN  11           HA       GLN  11  83.843  -2.440  -0.408
   80   1HB   GLN  11           HB2      GLN  11  81.810  -3.471   1.430
   81   2HB   GLN  11           HB1      GLN  11  82.084  -4.552   0.063
   82   1HG   GLN  11           HG2      GLN  11  83.603  -5.001   2.013
   83   2HG   GLN  11           HG1      GLN  11  84.466  -4.621   0.522
   84   1HE2  GLN  11          HE22      GLN  11  84.479  -1.879   3.586
   85   2HE2  GLN  11          HE21      GLN  11  83.269  -3.069   3.539
   86    H    LEU  12           HN       LEU  12  80.631  -1.416  -1.025
   87    HA   LEU  12           HA       LEU  12  79.900  -3.117  -3.212
   88   1HB   LEU  12           HB2      LEU  12  79.247  -0.230  -2.532
   89   2HB   LEU  12           HB1      LEU  12  78.369  -1.197  -3.717
   90    HG   LEU  12           HG       LEU  12  78.663  -1.857  -0.771
   91   1HD1  LEU  12          HD11      LEU  12  76.968  -0.025  -1.984
   92   2HD1  LEU  12          HD13      LEU  12  75.983  -1.485  -1.895
   93   3HD1  LEU  12          HD12      LEU  12  76.687  -0.807  -0.428
   94   1HD2  LEU  12          HD22      LEU  12  77.846  -3.403  -3.128
   95   2HD2  LEU  12          HD21      LEU  12  78.260  -3.964  -1.508
   96   3HD2  LEU  12          HD23      LEU  12  76.628  -3.393  -1.853
   97    H    THR  13           HN       THR  13  79.931  -2.510  -5.528
   98    HA   THR  13           HA       THR  13  82.525  -1.404  -6.341
   99    HB   THR  13           HB       THR  13  81.053  -1.866  -8.616
  100    HG1  THR  13           HG1      THR  13  79.373  -2.988  -8.120
  101   1HG2  THR  13          HG22      THR  13  83.273  -2.852  -7.713
  102   2HG2  THR  13          HG21      THR  13  82.264  -4.137  -7.051
  103   3HG2  THR  13          HG23      THR  13  82.303  -3.855  -8.792
  104    H    GLU  14           HN       GLU  14  82.548   0.272  -8.155
  105    HA   GLU  14           HA       GLU  14  81.166   2.665  -7.339
  106   1HB   GLU  14           HB2      GLU  14  83.309   1.888  -8.976
  107   2HB   GLU  14           HB1      GLU  14  82.163   2.657 -10.074
  108   1HG   GLU  14           HG2      GLU  14  82.516   4.712  -9.185
  109   2HG   GLU  14           HG1      GLU  14  82.486   4.094  -7.533
  110    H    GLU  15           HN       GLU  15  80.597   0.271  -9.900
  111    HA   GLU  15           HA       GLU  15  78.434   1.759 -11.161
  112   1HB   GLU  15           HB2      GLU  15  78.121  -0.485 -12.292
  113   2HB   GLU  15           HB1      GLU  15  79.762   0.152 -12.398
  114   1HG   GLU  15           HG2      GLU  15  80.622  -1.489 -11.069
  115   2HG   GLU  15           HG1      GLU  15  79.215  -1.501 -10.007
  116    H    GLN  16           HN       GLN  16  78.679   0.017  -8.260
  117    HA   GLN  16           HA       GLN  16  76.038  -1.197  -8.199
  118   1HB   GLN  16           HB2      GLN  16  78.109  -1.821  -6.870
  119   2HB   GLN  16           HB1      GLN  16  77.844  -0.364  -5.911
  120   1HG   GLN  16           HG2      GLN  16  76.191  -1.339  -4.723
  121   2HG   GLN  16           HG1      GLN  16  75.407  -1.945  -6.182
  122   1HE2  GLN  16          HE22      GLN  16  76.413  -5.032  -4.530
  123   2HE2  GLN  16          HE21      GLN  16  75.184  -3.862  -4.459
  124    H    LYS  17           HN       LYS  17  77.323   1.466  -6.172
  125    HA   LYS  17           HA       LYS  17  74.766   2.462  -5.386
  126   1HB   LYS  17           HB2      LYS  17  76.148   4.473  -4.758
  127   2HB   LYS  17           HB1      LYS  17  76.834   2.948  -4.196
  128   1HG   LYS  17           HG2      LYS  17  77.930   3.187  -6.713
  129   2HG   LYS  17           HG1      LYS  17  77.892   4.862  -6.160
  130   1HD   LYS  17           HD2      LYS  17  78.832   3.766  -3.920
  131   2HD   LYS  17           HD1      LYS  17  79.396   2.532  -5.047
  132   1HE   LYS  17           HE2      LYS  17  81.198   3.977  -5.199
  133   2HE   LYS  17           HE1      LYS  17  80.152   4.754  -6.405
  134   1HZ   LYS  17           HZ3      LYS  17  79.139   5.990  -4.479
  135   2HZ   LYS  17           HZ2      LYS  17  80.439   5.438  -3.534
  136   3HZ   LYS  17           HZ1      LYS  17  80.725   6.439  -4.877
  137    H    ASN  18           HN       ASN  18  76.794   3.129  -8.200
  138    HA   ASN  18           HA       ASN  18  75.577   5.525  -9.125
  139   1HB   ASN  18           HB2      ASN  18  77.340   3.412 -10.046
  140   2HB   ASN  18           HB1      ASN  18  76.263   3.928 -11.346
  141   1HD2  ASN  18          HD22      ASN  18  79.384   6.196 -10.752
  142   2HD2  ASN  18          HD21      ASN  18  79.275   4.516 -10.533
  143    H    GLU  19           HN       GLU  19  74.673   2.113  -9.628
  144    HA   GLU  19           HA       GLU  19  72.504   2.631 -11.454
  145   1HB   GLU  19           HB2      GLU  19  73.876   0.472 -10.700
  146   2HB   GLU  19           HB1      GLU  19  72.531   0.302  -9.572
  147   1HG   GLU  19           HG2      GLU  19  70.960   0.021 -11.271
  148   2HG   GLU  19           HG1      GLU  19  71.956   0.853 -12.465
  149    H    PHE  20           HN       PHE  20  72.664   2.205  -7.913
  150    HA   PHE  20           HA       PHE  20  69.842   2.351  -7.421
  151   1HB   PHE  20           HB2      PHE  20  72.333   2.965  -5.808
  152   2HB   PHE  20           HB1      PHE  20  70.716   3.009  -5.104
  153    HD1  PHE  20           HD1      PHE  20  69.281   0.813  -6.217
  154    HD2  PHE  20           HD2      PHE  20  73.442   1.013  -5.168
  155    HE1  PHE  20           HE1      PHE  20  69.331  -1.651  -5.940
  156    HE2  PHE  20           HE2      PHE  20  73.491  -1.451  -4.892
  157    HZ   PHE  20           HZ       PHE  20  71.434  -2.783  -5.277
  158    H    LYS  21           HN       LYS  21  72.361   4.826  -7.740
  159    HA   LYS  21           HA       LYS  21  71.040   7.109  -6.774
  160   1HB   LYS  21           HB2      LYS  21  73.400   6.777  -7.731
  161   2HB   LYS  21           HB1      LYS  21  72.669   6.979  -9.324
  162   1HG   LYS  21           HG2      LYS  21  72.036   9.206  -8.887
  163   2HG   LYS  21           HG1      LYS  21  72.200   9.005  -7.142
  164   1HD   LYS  21           HD2      LYS  21  74.560   8.750  -9.012
  165   2HD   LYS  21           HD1      LYS  21  74.077  10.298  -8.320
  166   1HE   LYS  21           HE2      LYS  21  74.142   9.048  -6.030
  167   2HE   LYS  21           HE1      LYS  21  75.123   7.852  -6.899
  168   1HZ   LYS  21           HZ1      LYS  21  75.760  10.646  -7.396
  169   2HZ   LYS  21           HZ3      LYS  21  76.152  10.069  -5.850
  170   3HZ   LYS  21           HZ2      LYS  21  76.796   9.310  -7.226
  171    H    ALA  22           HN       ALA  22  70.979   5.876 -10.143
  172    HA   ALA  22           HA       ALA  22  69.072   7.717 -11.158
  173   1HB   ALA  22           HB2      ALA  22  70.562   5.543 -12.035
  174   2HB   ALA  22           HB1      ALA  22  68.899   4.980 -12.208
  175   3HB   ALA  22           HB3      ALA  22  69.420   6.457 -13.020
  176    H    ALA  23           HN       ALA  23  68.617   4.550  -9.576
  177    HA   ALA  23           HA       ALA  23  65.743   4.490  -9.877
  178   1HB   ALA  23           HB3      ALA  23  67.541   2.660  -9.303
  179   2HB   ALA  23           HB2      ALA  23  67.279   3.183  -7.639
  180   3HB   ALA  23           HB1      ALA  23  65.936   2.536  -8.583
  181    H    PHE  24           HN       PHE  24  67.933   5.616  -7.307
  182    HA   PHE  24           HA       PHE  24  66.190   6.157  -5.210
  183   1HB   PHE  24           HB2      PHE  24  68.478   6.620  -4.903
  184   2HB   PHE  24           HB1      PHE  24  68.585   7.554  -6.392
  185    HD1  PHE  24           HD1      PHE  24  67.562   9.835  -6.514
  186    HD2  PHE  24           HD2      PHE  24  67.828   7.642  -2.831
  187    HE1  PHE  24           HE1      PHE  24  67.156  11.925  -5.242
  188    HE2  PHE  24           HE2      PHE  24  67.422   9.731  -1.558
  189    HZ   PHE  24           HZ       PHE  24  67.086  11.873  -2.763
  190    H    ASP  25           HN       ASP  25  66.782   8.223  -8.077
  191    HA   ASP  25           HA       ASP  25  64.917  10.289  -7.324
  192   1HB   ASP  25           HB2      ASP  25  66.561   9.451  -9.625
  193   2HB   ASP  25           HB1      ASP  25  65.105  10.343 -10.072
  194    H    ILE  26           HN       ILE  26  64.424   7.086  -8.398
  195    HA   ILE  26           HA       ILE  26  61.872   7.620  -9.774
  196    HB   ILE  26           HB       ILE  26  63.091   4.987  -8.912
  197   1HG1  ILE  26          HG12      ILE  26  64.774   6.413 -10.092
  198   2HG1  ILE  26          HG11      ILE  26  64.329   4.979 -11.017
  199   1HG2  ILE  26          HG22      ILE  26  60.782   5.772 -10.401
  200   2HG2  ILE  26          HG21      ILE  26  61.912   4.992 -11.508
  201   3HG2  ILE  26          HG23      ILE  26  61.362   4.140 -10.067
  202   1HD1  ILE  26          HD13      ILE  26  62.747   7.477 -11.456
  203   2HD1  ILE  26          HD12      ILE  26  64.366   7.388 -12.152
  204   3HD1  ILE  26          HD11      ILE  26  63.149   6.189 -12.593
  205    H    PHE  27           HN       PHE  27  63.019   6.491  -6.619
  206    HA   PHE  27           HA       PHE  27  60.325   5.685  -5.745
  207   1HB   PHE  27           HB2      PHE  27  62.813   6.064  -4.070
  208   2HB   PHE  27           HB1      PHE  27  61.488   4.932  -3.806
  209    HD1  PHE  27           HD1      PHE  27  61.096   3.780  -6.487
  210    HD2  PHE  27           HD2      PHE  27  64.727   4.731  -4.398
  211    HE1  PHE  27           HE1      PHE  27  62.304   2.058  -7.802
  212    HE2  PHE  27           HE2      PHE  27  65.934   3.009  -5.713
  213    HZ   PHE  27           HZ       PHE  27  64.723   1.675  -7.415
  214    H    VAL  28           HN       VAL  28  62.482   8.462  -5.430
  215    HA   VAL  28           HA       VAL  28  60.878   9.730  -3.326
  216    HB   VAL  28           HB       VAL  28  62.574  11.462  -3.555
  217   1HG1  VAL  28          HG11      VAL  28  63.125   8.709  -3.124
  218   2HG1  VAL  28          HG13      VAL  28  64.481   9.372  -4.036
  219   3HG1  VAL  28          HG12      VAL  28  64.015  10.096  -2.497
  220   1HG2  VAL  28          HG23      VAL  28  62.913  10.165  -6.224
  221   2HG2  VAL  28          HG22      VAL  28  62.944  11.877  -5.799
  222   3HG2  VAL  28          HG21      VAL  28  64.345  10.859  -5.462
  223    H    LEU  29           HN       LEU  29  60.060   9.174  -6.397
  224    HA   LEU  29           HA       LEU  29  59.567  11.579  -7.738
  225   1HB   LEU  29           HB2      LEU  29  58.758   8.870  -7.819
  226   2HB   LEU  29           HB1      LEU  29  57.273   9.820  -7.852
  227    HG   LEU  29           HG       LEU  29  58.581  11.266  -9.621
  228   1HD1  LEU  29          HD11      LEU  29  60.283   8.906  -9.214
  229   2HD1  LEU  29          HD13      LEU  29  59.864   9.185 -10.904
  230   3HD1  LEU  29          HD12      LEU  29  60.667  10.450  -9.973
  231   1HD2  LEU  29          HD22      LEU  29  56.699   9.204  -9.742
  232   2HD2  LEU  29          HD21      LEU  29  57.106  10.316 -11.049
  233   3HD2  LEU  29          HD23      LEU  29  57.910   8.751 -10.940
  234    H    GLY  30           HN       GLY  30  57.950  10.287  -4.887
  235   1HA   GLY  30           HA2      GLY  30  56.094  12.633  -4.926
  236   2HA   GLY  30           HA1      GLY  30  55.752  11.116  -4.092
  237    H    ALA  31           HN       ALA  31  58.894  11.445  -3.488
  238    HA   ALA  31           HA       ALA  31  58.668  12.103  -0.752
  239   1HB   ALA  31           HB1      ALA  31  60.686  11.576  -2.744
  240   2HB   ALA  31           HB3      ALA  31  61.225  12.894  -1.704
  241   3HB   ALA  31           HB2      ALA  31  60.780  11.340  -0.998
  242    H    GLU  32           HN       GLU  32  59.445  14.087   0.356
  243    HA   GLU  32           HA       GLU  32  58.672  16.540  -1.160
  244   1HB   GLU  32           HB2      GLU  32  58.991  15.930   1.799
  245   2HB   GLU  32           HB1      GLU  32  58.412  17.462   1.141
  246   1HG   GLU  32           HG2      GLU  32  56.591  16.142  -0.037
  247   2HG   GLU  32           HG1      GLU  32  57.093  14.746   0.917
  248    H    ASP  33           HN       ASP  33  61.289  15.151   0.802
  249    HA   ASP  33           HA       ASP  33  62.990  17.524   0.127
  250   1HB   ASP  33           HB2      ASP  33  64.350  16.565   2.083
  251   2HB   ASP  33           HB1      ASP  33  62.764  17.221   2.488
  252    H    GLY  34           HN       GLY  34  62.362  14.787  -1.330
  253   1HA   GLY  34           HA2      GLY  34  63.645  13.573  -2.903
  254   2HA   GLY  34           HA1      GLY  34  65.074  14.455  -2.363
  255    H    CYS  35           HN       CYS  35  62.763  12.077  -0.997
  256    HA   CYS  35           HA       CYS  35  65.108  10.472  -0.076
  257   1HB   CYS  35           HB2      CYS  35  63.011  11.880   1.498
  258   2HB   CYS  35           HB1      CYS  35  63.443  10.260   2.047
  259    HG   CYS  35           HG       CYS  35  65.242  12.736   2.207
  260    H    ILE  36           HN       ILE  36  64.356   8.243   0.636
  261    HA   ILE  36           HA       ILE  36  61.971   7.389  -0.976
  262    HB   ILE  36           HB       ILE  36  64.202   5.547  -0.158
  263   1HG1  ILE  36          HG12      ILE  36  64.344   7.420  -2.545
  264   2HG1  ILE  36          HG11      ILE  36  65.289   7.619  -1.069
  265   1HG2  ILE  36          HG21      ILE  36  62.060   5.714  -2.204
  266   2HG2  ILE  36          HG23      ILE  36  63.586   5.016  -2.749
  267   3HG2  ILE  36          HG22      ILE  36  62.727   4.302  -1.382
  268   1HD1  ILE  36          HD11      ILE  36  65.344   5.032  -2.618
  269   2HD1  ILE  36          HD13      ILE  36  66.407   6.374  -3.043
  270   3HD1  ILE  36          HD12      ILE  36  66.516   5.634  -1.445
  271    H    SER  37           HN       SER  37  60.393   7.403   0.682
  272    HA   SER  37           HA       SER  37  60.890   6.412   3.360
  273   1HB   SER  37           HB2      SER  37  58.127   6.403   2.350
  274   2HB   SER  37           HB1      SER  37  58.824   7.302   3.695
  275    HG   SER  37           HG       SER  37  58.625   7.960   0.983
  276    H    THR  38           HN       THR  38  58.946   4.670   4.012
  277    HA   THR  38           HA       THR  38  59.850   2.151   2.854
  278    HB   THR  38           HB       THR  38  58.550   1.205   4.607
  279    HG1  THR  38           HG1      THR  38  56.618   1.913   4.901
  280   1HG2  THR  38          HG23      THR  38  60.239   3.366   5.119
  281   2HG2  THR  38          HG22      THR  38  58.812   3.689   6.105
  282   3HG2  THR  38          HG21      THR  38  59.690   2.171   6.294
  283    H    LYS  39           HN       LYS  39  56.654   3.784   2.987
  284    HA   LYS  39           HA       LYS  39  55.087   2.089   1.470
  285   1HB   LYS  39           HB2      LYS  39  55.345   5.111   1.399
  286   2HB   LYS  39           HB1      LYS  39  53.987   4.234   0.692
  287   1HG   LYS  39           HG2      LYS  39  54.828   4.200   3.605
  288   2HG   LYS  39           HG1      LYS  39  53.384   4.963   2.941
  289   1HD   LYS  39           HD2      LYS  39  53.299   2.316   2.008
  290   2HD   LYS  39           HD1      LYS  39  53.803   2.191   3.693
  291   1HE   LYS  39           HE2      LYS  39  51.359   2.168   3.614
  292   2HE   LYS  39           HE1      LYS  39  51.875   3.724   4.294
  293   1HZ   LYS  39           HZ3      LYS  39  51.964   4.093   1.584
  294   2HZ   LYS  39           HZ2      LYS  39  50.544   3.189   1.817
  295   3HZ   LYS  39           HZ1      LYS  39  50.757   4.667   2.628
  296    H    GLU  40           HN       GLU  40  57.729   4.118   0.335
  297    HA   GLU  40           HA       GLU  40  57.158   3.371  -2.497
  298   1HB   GLU  40           HB2      GLU  40  59.191   5.280  -1.296
  299   2HB   GLU  40           HB1      GLU  40  58.720   5.180  -2.994
  300   1HG   GLU  40           HG2      GLU  40  56.506   5.964  -2.519
  301   2HG   GLU  40           HG1      GLU  40  56.747   5.785  -0.780
  302    H    LEU  41           HN       LEU  41  58.154   1.356  -0.630
  303    HA   LEU  41           HA       LEU  41  60.910   0.922  -1.739
  304   1HB   LEU  41           HB2      LEU  41  60.583   1.376   0.759
  305   2HB   LEU  41           HB1      LEU  41  59.748  -0.176   0.836
  306    HG   LEU  41           HG       LEU  41  62.217  -0.266   1.404
  307   1HD1  LEU  41          HD13      LEU  41  60.609  -2.042   0.018
  308   2HD1  LEU  41          HD12      LEU  41  62.057  -1.955  -0.986
  309   3HD1  LEU  41          HD11      LEU  41  62.187  -2.419   0.710
  310   1HD2  LEU  41          HD21      LEU  41  62.497   1.331  -0.808
  311   2HD2  LEU  41          HD23      LEU  41  63.807   0.394  -0.089
  312   3HD2  LEU  41          HD22      LEU  41  62.914  -0.251  -1.466
  313    H    GLY  42           HN       GLY  42  57.707  -0.382  -1.236
  314   1HA   GLY  42           HA2      GLY  42  58.317  -3.148  -1.752
  315   2HA   GLY  42           HA1      GLY  42  56.725  -2.404  -1.921
  316    H    LYS  43           HN       LYS  43  56.395  -1.080  -3.942
  317    HA   LYS  43           HA       LYS  43  56.814  -2.505  -6.303
  318   1HB   LYS  43           HB2      LYS  43  56.253  -0.391  -7.403
  319   2HB   LYS  43           HB1      LYS  43  55.317  -0.533  -5.915
  320   1HG   LYS  43           HG2      LYS  43  57.322   0.744  -4.827
  321   2HG   LYS  43           HG1      LYS  43  57.695   1.217  -6.485
  322   1HD   LYS  43           HD2      LYS  43  55.087   1.697  -5.013
  323   2HD   LYS  43           HD1      LYS  43  56.267   2.919  -5.491
  324   1HE   LYS  43           HE2      LYS  43  55.893   2.081  -7.910
  325   2HE   LYS  43           HE1      LYS  43  54.441   1.287  -7.266
  326   1HZ   LYS  43           HZ2      LYS  43  54.830   3.993  -6.338
  327   2HZ   LYS  43           HZ1      LYS  43  54.555   3.878  -8.010
  328   3HZ   LYS  43           HZ3      LYS  43  53.424   3.238  -6.920
  329    H    VAL  44           HN       VAL  44  59.033  -0.356  -4.630
  330    HA   VAL  44           HA       VAL  44  60.904   0.072  -6.770
  331    HB   VAL  44           HB       VAL  44  61.160   0.000  -3.746
  332   1HG1  VAL  44          HG12      VAL  44  63.114   0.565  -5.920
  333   2HG1  VAL  44          HG11      VAL  44  63.128   1.658  -4.536
  334   3HG1  VAL  44          HG13      VAL  44  63.389  -0.069  -4.297
  335   1HG2  VAL  44          HG23      VAL  44  60.415   2.061  -5.793
  336   2HG2  VAL  44          HG22      VAL  44  59.727   1.775  -4.194
  337   3HG2  VAL  44          HG21      VAL  44  61.287   2.583  -4.353
  338    H    MET  45           HN       MET  45  60.632  -2.431  -4.250
  339    HA   MET  45           HA       MET  45  63.082  -3.803  -5.002
  340   1HB   MET  45           HB2      MET  45  60.669  -4.317  -3.277
  341   2HB   MET  45           HB1      MET  45  61.811  -5.625  -3.586
  342   1HG   MET  45           HG2      MET  45  62.882  -2.959  -2.742
  343   2HG   MET  45           HG1      MET  45  62.158  -4.004  -1.521
  344   1HE   MET  45           HE3      MET  45  64.398  -3.154  -0.888
  345   2HE   MET  45           HE2      MET  45  65.274  -4.585  -0.351
  346   3HE   MET  45           HE1      MET  45  65.941  -3.585  -1.640
  347    H    ARG  46           HN       ARG  46  59.782  -3.825  -6.128
  348    HA   ARG  46           HA       ARG  46  59.849  -6.447  -7.382
  349   1HB   ARG  46           HB2      ARG  46  58.037  -4.278  -6.898
  350   2HB   ARG  46           HB1      ARG  46  57.985  -4.670  -8.617
  351   1HG   ARG  46           HG2      ARG  46  57.864  -7.146  -7.801
  352   2HG   ARG  46           HG1      ARG  46  57.373  -6.440  -6.260
  353   1HD   ARG  46           HD2      ARG  46  55.861  -5.094  -8.243
  354   2HD   ARG  46           HD1      ARG  46  55.780  -6.824  -8.635
  355    HE   ARG  46           HE       ARG  46  54.747  -5.571  -6.186
  356   1HH1  ARG  46          HH21      ARG  46  56.427  -7.780  -5.185
  357   2HH1  ARG  46          HH22      ARG  46  55.359  -9.142  -5.253
  358   1HH2  ARG  46          HH11      ARG  46  53.109  -7.608  -7.397
  359   2HH2  ARG  46          HH12      ARG  46  53.482  -9.045  -6.505
  360    H    MET  47           HN       MET  47  60.358  -3.100  -8.529
  361    HA   MET  47           HA       MET  47  60.836  -3.908 -11.288
  362   1HB   MET  47           HB2      MET  47  61.200  -1.573 -11.610
  363   2HB   MET  47           HB1      MET  47  60.002  -1.666 -10.320
  364   1HG   MET  47           HG2      MET  47  61.804  -1.425  -8.638
  365   2HG   MET  47           HG1      MET  47  62.989  -1.299  -9.937
  366   1HE   MET  47           HE3      MET  47  63.769   0.322 -10.815
  367   2HE   MET  47           HE2      MET  47  62.646   1.112 -11.920
  368   3HE   MET  47           HE1      MET  47  63.403   2.043 -10.630
  369    H    LEU  48           HN       LEU  48  62.917  -2.933  -8.550
  370    HA   LEU  48           HA       LEU  48  65.430  -3.004  -9.840
  371   1HB   LEU  48           HB2      LEU  48  64.471  -3.668  -7.047
  372   2HB   LEU  48           HB1      LEU  48  66.186  -3.618  -7.460
  373    HG   LEU  48           HG       LEU  48  64.266  -1.324  -7.946
  374   1HD1  LEU  48          HD11      LEU  48  64.576  -1.830  -5.518
  375   2HD1  LEU  48          HD13      LEU  48  66.317  -1.660  -5.738
  376   3HD1  LEU  48          HD12      LEU  48  65.258  -0.272  -5.982
  377   1HD2  LEU  48          HD21      LEU  48  67.294  -1.538  -8.004
  378   2HD2  LEU  48          HD23      LEU  48  66.246  -1.368  -9.412
  379   3HD2  LEU  48          HD22      LEU  48  66.376  -0.052  -8.245
  380    H    GLY  49           HN       GLY  49  63.365  -5.638  -8.741
  381   1HA   GLY  49           HA2      GLY  49  63.690  -7.792 -10.008
  382   2HA   GLY  49           HA1      GLY  49  65.421  -7.572  -9.739
  383    H    GLN  50           HN       GLN  50  63.046  -6.820  -7.267
  384    HA   GLN  50           HA       GLN  50  63.954  -9.239  -5.739
  385   1HB   GLN  50           HB2      GLN  50  63.355  -6.451  -4.700
  386   2HB   GLN  50           HB1      GLN  50  64.020  -7.795  -3.771
  387   1HG   GLN  50           HG2      GLN  50  65.602  -7.350  -6.151
  388   2HG   GLN  50           HG1      GLN  50  65.465  -5.856  -5.223
  389   1HE2  GLN  50          HE22      GLN  50  68.039  -7.030  -3.120
  390   2HE2  GLN  50          HE21      GLN  50  67.464  -5.787  -4.124
  391    H    ASN  51           HN       ASN  51  62.364  -9.793  -3.948
  392    HA   ASN  51           HA       ASN  51  59.565  -8.923  -4.516
  393   1HB   ASN  51           HB2      ASN  51  58.926 -11.348  -4.517
  394   2HB   ASN  51           HB1      ASN  51  60.000 -10.928  -5.853
  395   1HD2  ASN  51          HD22      ASN  51  61.306 -14.011  -4.116
  396   2HD2  ASN  51          HD21      ASN  51  59.815 -13.619  -4.826
  397    HA   PRO  52           HA       PRO  52  60.692  -9.452  -0.016
  398   1HB   PRO  52           HB2      PRO  52  60.283  -6.856   0.740
  399   2HB   PRO  52           HB1      PRO  52  61.844  -7.451   0.144
  400   1HG   PRO  52           HG2      PRO  52  59.765  -5.865  -1.261
  401   2HG   PRO  52           HG1      PRO  52  61.527  -5.798  -1.401
  402   1HD   PRO  52           HD2      PRO  52  59.866  -7.042  -3.208
  403   2HD   PRO  52           HD1      PRO  52  61.587  -7.426  -2.989
  404    H    THR  53           HN       THR  53  59.148  -8.316   1.856
  405    HA   THR  53           HA       THR  53  56.329  -8.623   0.871
  406    HB   THR  53           HB       THR  53  55.908  -9.745   3.034
  407    HG1  THR  53           HG1      THR  53  57.268  -9.184   4.524
  408   1HG2  THR  53          HG23      THR  53  58.233 -10.778   1.403
  409   2HG2  THR  53          HG22      THR  53  57.459 -11.726   2.672
  410   3HG2  THR  53          HG21      THR  53  56.532 -11.221   1.259
  411    HA   PRO  54           HA       PRO  54  55.440  -4.801   2.829
  412   1HB   PRO  54           HB2      PRO  54  52.957  -5.249   3.891
  413   2HB   PRO  54           HB1      PRO  54  53.243  -5.055   2.150
  414   1HG   PRO  54           HG2      PRO  54  52.844  -7.541   3.737
  415   2HG   PRO  54           HG1      PRO  54  52.258  -7.128   2.118
  416   1HD   PRO  54           HD2      PRO  54  54.401  -8.751   2.572
  417   2HD   PRO  54           HD1      PRO  54  54.211  -7.764   1.106
  418    H    GLU  55           HN       GLU  55  55.221  -7.727   4.762
  419    HA   GLU  55           HA       GLU  55  55.037  -6.412   7.346
  420   1HB   GLU  55           HB2      GLU  55  54.825  -8.977   6.270
  421   2HB   GLU  55           HB1      GLU  55  56.276  -9.061   7.270
  422   1HG   GLU  55           HG2      GLU  55  54.515  -9.590   8.762
  423   2HG   GLU  55           HG1      GLU  55  54.862  -7.891   9.088
  424    H    GLU  56           HN       GLU  56  57.667  -7.383   5.212
  425    HA   GLU  56           HA       GLU  56  59.732  -6.910   7.271
  426   1HB   GLU  56           HB2      GLU  56  59.429  -8.190   4.670
  427   2HB   GLU  56           HB1      GLU  56  60.891  -7.206   4.736
  428   1HG   GLU  56           HG2      GLU  56  61.627  -9.267   5.584
  429   2HG   GLU  56           HG1      GLU  56  61.267  -8.354   7.050
  430    H    LEU  57           HN       LEU  57  58.516  -5.381   4.295
  431    HA   LEU  57           HA       LEU  57  60.334  -3.380   3.764
  432   1HB   LEU  57           HB2      LEU  57  57.539  -3.898   3.413
  433   2HB   LEU  57           HB1      LEU  57  57.732  -2.196   3.836
  434    HG   LEU  57           HG       LEU  57  59.472  -1.989   2.061
  435   1HD1  LEU  57          HD11      LEU  57  59.156  -4.870   2.078
  436   2HD1  LEU  57          HD13      LEU  57  58.883  -4.228   0.458
  437   3HD1  LEU  57          HD12      LEU  57  60.400  -3.894   1.295
  438   1HD2  LEU  57          HD22      LEU  57  56.621  -2.518   1.679
  439   2HD2  LEU  57          HD21      LEU  57  57.626  -1.249   0.979
  440   3HD2  LEU  57          HD23      LEU  57  57.560  -2.840   0.222
  441    H    GLN  58           HN       GLN  58  57.565  -2.761   5.949
  442    HA   GLN  58           HA       GLN  58  58.634  -0.381   7.097
  443   1HB   GLN  58           HB2      GLN  58  56.260  -1.481   7.077
  444   2HB   GLN  58           HB1      GLN  58  56.811  -2.300   8.539
  445   1HG   GLN  58           HG2      GLN  58  56.702   0.696   8.087
  446   2HG   GLN  58           HG1      GLN  58  55.666  -0.241   9.163
  447   1HE2  GLN  58          HE22      GLN  58  59.000   1.185  10.703
  448   2HE2  GLN  58          HE21      GLN  58  58.157   1.836   9.381
  449    H    GLU  59           HN       GLU  59  58.656  -3.745   8.331
  450    HA   GLU  59           HA       GLU  59  59.981  -3.300  10.781
  451   1HB   GLU  59           HB2      GLU  59  58.962  -5.411   9.470
  452   2HB   GLU  59           HB1      GLU  59  60.671  -5.691   9.133
  453   1HG   GLU  59           HG2      GLU  59  60.940  -6.518  11.206
  454   2HG   GLU  59           HG1      GLU  59  60.432  -4.972  11.886
  455    H    MET  60           HN       MET  60  61.559  -4.471   7.780
  456    HA   MET  60           HA       MET  60  64.228  -4.242   8.539
  457   1HB   MET  60           HB2      MET  60  62.674  -4.536   6.180
  458   2HB   MET  60           HB1      MET  60  63.879  -3.293   5.845
  459   1HG   MET  60           HG2      MET  60  64.707  -5.595   5.339
  460   2HG   MET  60           HG1      MET  60  65.674  -4.776   6.565
  461   1HE   MET  60           HE2      MET  60  63.656  -7.332   5.361
  462   2HE   MET  60           HE1      MET  60  64.791  -8.449   6.115
  463   3HE   MET  60           HE3      MET  60  63.106  -8.396   6.653
  464    H    ILE  61           HN       ILE  61  62.731  -1.726   6.481
  465    HA   ILE  61           HA       ILE  61  64.596   0.295   6.787
  466    HB   ILE  61           HB       ILE  61  61.578   0.314   6.612
  467   1HG1  ILE  61          HG12      ILE  61  63.452   1.296   4.496
  468   2HG1  ILE  61          HG11      ILE  61  63.359  -0.444   4.769
  469   1HG2  ILE  61          HG21      ILE  61  62.437   2.424   7.690
  470   2HG2  ILE  61          HG23      ILE  61  63.415   2.698   6.247
  471   3HG2  ILE  61          HG22      ILE  61  61.655   2.685   6.131
  472   1HD1  ILE  61          HD13      ILE  61  60.841   1.180   4.486
  473   2HD1  ILE  61          HD12      ILE  61  61.717   0.641   3.053
  474   3HD1  ILE  61          HD11      ILE  61  61.085  -0.543   4.197
  475    H    ASP  62           HN       ASP  62  62.291  -0.828   9.187
  476    HA   ASP  62           HA       ASP  62  62.762   1.487  10.963
  477   1HB   ASP  62           HB2      ASP  62  60.576   0.183  10.586
  478   2HB   ASP  62           HB1      ASP  62  61.306  -1.100  11.552
  479    H    GLU  63           HN       GLU  63  64.777  -0.850  10.156
  480    HA   GLU  63           HA       GLU  63  65.704  -1.334  12.964
  481   1HB   GLU  63           HB2      GLU  63  65.035  -3.450  12.327
  482   2HB   GLU  63           HB1      GLU  63  65.219  -3.099  10.611
  483   1HG   GLU  63           HG2      GLU  63  67.409  -3.743  10.574
  484   2HG   GLU  63           HG1      GLU  63  67.723  -3.141  12.202
  485    H    VAL  64           HN       VAL  64  66.716  -1.154   9.530
  486    HA   VAL  64           HA       VAL  64  69.537  -0.876  10.159
  487    HB   VAL  64           HB       VAL  64  68.340  -1.731   8.032
  488   1HG1  VAL  64          HG11      VAL  64  68.234   1.266   7.567
  489   2HG1  VAL  64          HG13      VAL  64  67.947   0.045   6.327
  490   3HG1  VAL  64          HG12      VAL  64  66.849   0.181   7.701
  491   1HG2  VAL  64          HG22      VAL  64  70.855  -0.597   8.482
  492   2HG2  VAL  64          HG21      VAL  64  70.392  -1.591   7.102
  493   3HG2  VAL  64          HG23      VAL  64  70.293   0.167   6.995
  494    H    ASP  65           HN       ASP  65  66.880   1.386   9.519
  495    HA   ASP  65           HA       ASP  65  68.134   3.796   9.025
  496   1HB   ASP  65           HB2      ASP  65  65.663   2.860   9.993
  497   2HB   ASP  65           HB1      ASP  65  66.187   4.069  11.166
  498    H    GLU  66           HN       GLU  66  70.011   4.518   9.981
  499    HA   GLU  66           HA       GLU  66  70.697   3.873  12.749
  500   1HB   GLU  66           HB2      GLU  66  72.076   4.406  10.483
  501   2HB   GLU  66           HB1      GLU  66  72.106   6.005  11.225
  502   1HG   GLU  66           HG2      GLU  66  73.261   5.249  13.121
  503   2HG   GLU  66           HG1      GLU  66  72.789   3.570  12.854
  504    H    ASP  67           HN       ASP  67  69.341   6.638  11.018
  505    HA   ASP  67           HA       ASP  67  69.556   8.405  13.374
  506   1HB   ASP  67           HB2      ASP  67  68.513  10.020  11.812
  507   2HB   ASP  67           HB1      ASP  67  69.880   9.206  11.052
  508    H    GLY  68           HN       GLY  68  67.023   6.687  11.546
  509   1HA   GLY  68           HA2      GLY  68  65.030   5.784  12.549
  510   2HA   GLY  68           HA1      GLY  68  65.278   6.846  13.935
  511    H    SER  69           HN       SER  69  65.512   8.063  10.662
  512    HA   SER  69           HA       SER  69  63.447  10.055  11.192
  513   1HB   SER  69           HB2      SER  69  64.120  10.863   9.000
  514   2HB   SER  69           HB1      SER  69  65.569  10.358   9.864
  515    HG   SER  69           HG       SER  69  65.200   9.598   7.590
  516    H    GLY  70           HN       GLY  70  63.429   6.848  10.005
  517   1HA   GLY  70           HA2      GLY  70  61.462   5.599   9.470
  518   2HA   GLY  70           HA1      GLY  70  60.585   7.116   9.267
  519    H    THR  71           HN       THR  71  62.346   8.404   7.458
  520    HA   THR  71           HA       THR  71  61.656   6.940   4.985
  521    HB   THR  71           HB       THR  71  62.207   9.073   3.943
  522    HG1  THR  71           HG1      THR  71  63.178   9.788   6.509
  523   1HG2  THR  71          HG21      THR  71  60.095   8.763   5.420
  524   2HG2  THR  71          HG23      THR  71  60.925   9.820   6.562
  525   3HG2  THR  71          HG22      THR  71  60.543  10.401   4.941
  526    H    VAL  72           HN       VAL  72  63.275   6.475   3.343
  527    HA   VAL  72           HA       VAL  72  66.037   6.142   4.459
  528    HB   VAL  72           HB       VAL  72  64.837   4.588   2.168
  529   1HG1  VAL  72          HG13      VAL  72  66.994   4.151   4.234
  530   2HG1  VAL  72          HG12      VAL  72  66.347   2.827   3.264
  531   3HG1  VAL  72          HG11      VAL  72  67.157   4.183   2.479
  532   1HG2  VAL  72          HG22      VAL  72  63.230   4.492   4.073
  533   2HG2  VAL  72          HG21      VAL  72  63.995   2.932   3.772
  534   3HG2  VAL  72          HG23      VAL  72  64.536   3.933   5.119
  535    H    ASP  73           HN       ASP  73  67.558   7.404   3.454
  536    HA   ASP  73           HA       ASP  73  66.872   8.680   0.855
  537   1HB   ASP  73           HB2      ASP  73  67.605  10.054   2.765
  538   2HB   ASP  73           HB1      ASP  73  69.101   9.125   2.871
  539    H    PHE  74           HN       PHE  74  70.226   8.284   1.644
  540    HA   PHE  74           HA       PHE  74  70.471   6.190  -0.493
  541   1HB   PHE  74           HB2      PHE  74  71.169   8.759  -0.768
  542   2HB   PHE  74           HB1      PHE  74  72.629   8.192   0.045
  543    HD1  PHE  74           HD1      PHE  74  73.374   5.715  -0.892
  544    HD2  PHE  74           HD2      PHE  74  71.273   8.749  -3.089
  545    HE1  PHE  74           HE1      PHE  74  74.175   4.726  -3.021
  546    HE2  PHE  74           HE2      PHE  74  72.074   7.761  -5.218
  547    HZ   PHE  74           HZ       PHE  74  73.524   5.750  -5.185
  548    H    ASP  75           HN       ASP  75  72.488   7.727   2.052
  549    HA   ASP  75           HA       ASP  75  74.258   5.590   2.509
  550   1HB   ASP  75           HB2      ASP  75  74.645   7.725   3.496
  551   2HB   ASP  75           HB1      ASP  75  73.059   7.739   4.268
  552    H    GLU  76           HN       GLU  76  71.028   6.157   3.897
  553    HA   GLU  76           HA       GLU  76  71.138   3.743   5.563
  554   1HB   GLU  76           HB2      GLU  76  68.798   5.515   4.799
  555   2HB   GLU  76           HB1      GLU  76  68.925   4.478   6.221
  556   1HG   GLU  76           HG2      GLU  76  70.639   5.846   7.179
  557   2HG   GLU  76           HG1      GLU  76  70.850   6.747   5.677
  558    H    PHE  77           HN       PHE  77  69.744   4.722   2.456
  559    HA   PHE  77           HA       PHE  77  68.049   2.448   2.036
  560   1HB   PHE  77           HB2      PHE  77  68.221   4.732   0.839
  561   2HB   PHE  77           HB1      PHE  77  69.531   4.004  -0.090
  562    HD1  PHE  77           HD1      PHE  77  69.103   2.048  -1.556
  563    HD2  PHE  77           HD2      PHE  77  65.923   4.072   0.504
  564    HE1  PHE  77           HE1      PHE  77  67.445   0.946  -3.034
  565    HE2  PHE  77           HE2      PHE  77  64.264   2.969  -0.973
  566    HZ   PHE  77           HZ       PHE  77  65.025   1.406  -2.743
  567    H    LEU  78           HN       LEU  78  71.482   3.039   1.297
  568    HA   LEU  78           HA       LEU  78  71.880   0.597  -0.202
  569   1HB   LEU  78           HB2      LEU  78  73.505   2.761   1.058
  570   2HB   LEU  78           HB1      LEU  78  74.339   1.263   0.646
  571    HG   LEU  78           HG       LEU  78  72.664   2.925  -1.258
  572   1HD1  LEU  78          HD13      LEU  78  75.590   2.738  -0.665
  573   2HD1  LEU  78          HD12      LEU  78  75.097   2.957  -2.344
  574   3HD1  LEU  78          HD11      LEU  78  74.628   4.142  -1.125
  575   1HD2  LEU  78          HD23      LEU  78  73.447   0.174  -1.308
  576   2HD2  LEU  78          HD22      LEU  78  72.624   1.092  -2.569
  577   3HD2  LEU  78          HD21      LEU  78  74.386   1.026  -2.535
  578    H    VAL  79           HN       VAL  79  72.343   1.490   3.219
  579    HA   VAL  79           HA       VAL  79  73.649  -0.852   4.129
  580    HB   VAL  79           HB       VAL  79  71.535   0.830   5.517
  581   1HG1  VAL  79          HG12      VAL  79  72.426  -1.378   6.558
  582   2HG1  VAL  79          HG11      VAL  79  73.937  -0.494   6.771
  583   3HG1  VAL  79          HG13      VAL  79  72.463   0.079   7.551
  584   1HG2  VAL  79          HG21      VAL  79  73.860   1.733   4.330
  585   2HG2  VAL  79          HG23      VAL  79  73.040   2.524   5.677
  586   3HG2  VAL  79          HG22      VAL  79  74.379   1.418   5.986
  587    H    MET  80           HN       MET  80  70.267  -0.295   3.309
  588    HA   MET  80           HA       MET  80  69.191  -2.652   4.594
  589   1HB   MET  80           HB2      MET  80  68.355  -0.421   2.977
  590   2HB   MET  80           HB1      MET  80  67.669  -1.903   2.311
  591   1HG   MET  80           HG2      MET  80  67.501  -1.927   5.200
  592   2HG   MET  80           HG1      MET  80  66.744  -0.472   4.552
  593   1HE   MET  80           HE1      MET  80  65.411  -0.304   2.770
  594   2HE   MET  80           HE3      MET  80  65.225  -1.615   1.597
  595   3HE   MET  80           HE2      MET  80  63.904  -1.213   2.691
  596    H    MET  81           HN       MET  81  70.422  -1.960   1.329
  597    HA   MET  81           HA       MET  81  69.731  -4.494   0.153
  598   1HB   MET  81           HB2      MET  81  71.839  -2.393  -0.436
  599   2HB   MET  81           HB1      MET  81  71.459  -3.727  -1.525
  600   1HG   MET  81           HG2      MET  81  69.519  -1.601  -0.573
  601   2HG   MET  81           HG1      MET  81  70.211  -1.723  -2.190
  602   1HE   MET  81           HE1      MET  81  69.352  -2.641  -3.927
  603   2HE   MET  81           HE3      MET  81  67.887  -3.619  -4.092
  604   3HE   MET  81           HE2      MET  81  67.780  -1.955  -3.524
  605    H    VAL  82           HN       VAL  82  72.958  -3.288   1.154
  606    HA   VAL  82           HA       VAL  82  74.397  -5.684   0.936
  607    HB   VAL  82           HB       VAL  82  75.552  -3.660   1.367
  608   1HG1  VAL  82          HG13      VAL  82  73.332  -3.236   3.212
  609   2HG1  VAL  82          HG12      VAL  82  74.880  -2.795   3.933
  610   3HG1  VAL  82          HG11      VAL  82  74.368  -2.050   2.419
  611   1HG2  VAL  82          HG21      VAL  82  75.864  -5.850   3.115
  612   2HG2  VAL  82          HG23      VAL  82  77.050  -4.590   2.774
  613   3HG2  VAL  82          HG22      VAL  82  75.946  -4.415   4.137
  614    H    ARG  83           HN       ARG  83  72.171  -4.670   3.486
  615    HA   ARG  83           HA       ARG  83  72.850  -6.469   5.549
  616   1HB   ARG  83           HB2      ARG  83  70.536  -4.906   4.623
  617   2HB   ARG  83           HB1      ARG  83  70.094  -6.312   5.591
  618   1HG   ARG  83           HG2      ARG  83  71.977  -5.495   7.201
  619   2HG   ARG  83           HG1      ARG  83  71.797  -3.954   6.362
  620   1HD   ARG  83           HD2      ARG  83  70.049  -3.517   7.744
  621   2HD   ARG  83           HD1      ARG  83  69.164  -4.821   6.924
  622    HE   ARG  83           HE       ARG  83  69.973  -6.376   8.627
  623   1HH1  ARG  83          HH21      ARG  83  71.500  -3.346   8.942
  624   2HH1  ARG  83          HH22      ARG  83  71.583  -3.397  10.671
  625   1HH2  ARG  83          HH11      ARG  83  69.763  -6.338  10.934
  626   2HH2  ARG  83          HH12      ARG  83  70.599  -5.092  11.799
  627    H    CYS  84           HN       CYS  84  70.012  -7.037   3.457
  628    HA   CYS  84           HA       CYS  84  69.750  -9.792   3.940
  629   1HB   CYS  84           HB2      CYS  84  69.018  -7.869   1.771
  630   2HB   CYS  84           HB1      CYS  84  68.792  -9.588   1.448
  631    HG   CYS  84           HG       CYS  84  66.950  -9.692   3.139
  632    H    MET  85           HN       MET  85  71.570  -8.200   1.295
  633    HA   MET  85           HA       MET  85  72.469 -10.333  -0.201
  634   1HB   MET  85           HB2      MET  85  73.875  -7.867   0.843
  635   2HB   MET  85           HB1      MET  85  74.633  -8.938  -0.336
  636   1HG   MET  85           HG2      MET  85  72.361  -8.655  -1.631
  637   2HG   MET  85           HG1      MET  85  72.200  -7.201  -0.645
  638   1HE   MET  85           HE2      MET  85  72.487  -5.426  -1.306
  639   2HE   MET  85           HE1      MET  85  74.057  -4.697  -1.634
  640   3HE   MET  85           HE3      MET  85  72.946  -5.052  -2.964
  641    H    LYS  86           HN       LYS  86  74.945  -9.115   1.979
  642    HA   LYS  86           HA       LYS  86  76.174 -11.655   2.386
  643   1HB   LYS  86           HB2      LYS  86  76.316  -8.893   3.459
  644   2HB   LYS  86           HB1      LYS  86  76.996 -10.147   4.495
  645   1HG   LYS  86           HG2      LYS  86  78.355 -10.961   2.578
  646   2HG   LYS  86           HG1      LYS  86  77.720  -9.642   1.594
  647   1HD   LYS  86           HD2      LYS  86  78.770  -7.988   2.951
  648   2HD   LYS  86           HD1      LYS  86  79.125  -9.155   4.225
  649   1HE   LYS  86           HE2      LYS  86  81.026  -9.869   3.187
  650   2HE   LYS  86           HE1      LYS  86  80.246  -9.887   1.593
  651   1HZ   LYS  86           HZ2      LYS  86  81.087  -7.447   3.068
  652   2HZ   LYS  86           HZ1      LYS  86  81.913  -8.123   1.747
  653   3HZ   LYS  86           HZ3      LYS  86  80.358  -7.482   1.533
  654    H    ASP  87           HN       ASP  87  75.956 -13.180   4.045
  655    HA   ASP  87           HA       ASP  87  73.689 -12.737   5.962
  656   1HB   ASP  87           HB2      ASP  87  73.616 -15.295   5.857
  657   2HB   ASP  87           HB1      ASP  87  73.161 -14.456   4.373
  658    H    ASP  88           HN       ASP  88  74.164 -12.983   8.135
  659    HA   ASP  88           HA       ASP  88  76.825 -14.161   8.862
  660   1HB   ASP  88           HB2      ASP  88  77.037 -11.764   8.927
  661   2HB   ASP  88           HB1      ASP  88  75.488 -11.591   9.754
  662    H    SER  89           HN       SER  89  73.725 -13.010  10.258
  663    HA   SER  89           HA       SER  89  72.427 -13.915  12.017
  664   1HB   SER  89           HB2      SER  89  72.317 -15.610  10.147
  665   2HB   SER  89           HB1      SER  89  73.635 -16.477  10.929
  666    HG   SER  89           HG       SER  89  71.554 -17.258  11.536
   
  No H/Q in entry =         666
  Start of MODEL   16
    1   1H    MET   1           HT2      MET   1  79.609  -2.543  19.383
    2   2H    MET   1           HT1      MET   1  79.521  -1.634  20.815
    3   3H    MET   1           HT3      MET   1  79.547  -0.847  19.312
    4    HA   MET   1           HA       MET   1  81.740  -0.596  19.739
    5   1HB   MET   1           HB2      MET   1  81.197  -2.946  21.566
    6   2HB   MET   1           HB1      MET   1  82.818  -2.281  21.360
    7   1HG   MET   1           HG2      MET   1  81.621   0.014  21.850
    8   2HG   MET   1           HG1      MET   1  80.394  -1.011  22.595
    9   1HE   MET   1           HE2      MET   1  81.850   1.186  23.957
   10   2HE   MET   1           HE1      MET   1  83.175   0.790  25.048
   11   3HE   MET   1           HE3      MET   1  83.481   1.004  23.318
   12    H    ASP   2           HN       ASP   2  80.983  -1.690  17.385
   13    HA   ASP   2           HA       ASP   2  83.225  -3.472  16.732
   14   1HB   ASP   2           HB2      ASP   2  80.425  -4.377  17.133
   15   2HB   ASP   2           HB1      ASP   2  81.225  -4.996  15.688
   16    H    ASP   3           HN       ASP   3  82.271  -4.373  14.252
   17    HA   ASP   3           HA       ASP   3  80.954  -2.316  12.710
   18   1HB   ASP   3           HB2      ASP   3  83.117  -1.627  11.520
   19   2HB   ASP   3           HB1      ASP   3  82.919  -1.024  13.165
   20    H    ILE   4           HN       ILE   4  80.001  -3.707  11.267
   21    HA   ILE   4           HA       ILE   4  81.769  -5.603   9.775
   22    HB   ILE   4           HB       ILE   4  79.035  -6.260  10.909
   23   1HG1  ILE   4          HG12      ILE   4  81.798  -6.934  11.975
   24   2HG1  ILE   4          HG11      ILE   4  80.621  -5.870  12.747
   25   1HG2  ILE   4          HG22      ILE   4  80.903  -7.565   9.096
   26   2HG2  ILE   4          HG21      ILE   4  80.560  -8.569  10.504
   27   3HG2  ILE   4          HG23      ILE   4  79.239  -7.998   9.485
   28   1HD1  ILE   4          HD12      ILE   4  79.027  -7.785  12.873
   29   2HD1  ILE   4          HD11      ILE   4  80.277  -8.833  12.205
   30   3HD1  ILE   4          HD13      ILE   4  80.509  -8.079  13.782
   31    H    TYR   5           HN       TYR   5  78.579  -4.015   9.975
   32    HA   TYR   5           HA       TYR   5  78.020  -4.498   7.129
   33   1HB   TYR   5           HB2      TYR   5  76.688  -3.163   9.476
   34   2HB   TYR   5           HB1      TYR   5  76.057  -2.911   7.848
   35    HD1  TYR   5           HD2      TYR   5  75.602  -5.017   6.414
   36    HD2  TYR   5           HD1      TYR   5  76.122  -5.107  10.677
   37    HE1  TYR   5           HE2      TYR   5  74.472  -7.222   6.505
   38    HE2  TYR   5           HE1      TYR   5  74.991  -7.313  10.768
   39    HH   TYR   5           HH       TYR   5  73.838  -8.836   9.611
   40    H    LYS   6           HN       LYS   6  79.125  -1.818   9.174
   41    HA   LYS   6           HA       LYS   6  78.839   0.313   7.300
   42   1HB   LYS   6           HB2      LYS   6  80.409   1.439   8.776
   43   2HB   LYS   6           HB1      LYS   6  79.367   0.418   9.768
   44   1HG   LYS   6           HG2      LYS   6  81.132  -0.771  10.497
   45   2HG   LYS   6           HG1      LYS   6  81.647  -1.099   8.842
   46   1HD   LYS   6           HD2      LYS   6  82.535   1.349   8.875
   47   2HD   LYS   6           HD1      LYS   6  82.414   1.201  10.629
   48   1HE   LYS   6           HE2      LYS   6  84.434   0.172  10.597
   49   2HE   LYS   6           HE1      LYS   6  83.664  -1.180   9.742
   50   1HZ   LYS   6           HZ2      LYS   6  84.327   1.260   8.249
   51   2HZ   LYS   6           HZ1      LYS   6  85.574   0.162   8.603
   52   3HZ   LYS   6           HZ3      LYS   6  84.231  -0.346   7.701
   53    H    ALA   7           HN       ALA   7  80.935  -2.411   7.293
   54    HA   ALA   7           HA       ALA   7  82.960  -1.108   5.555
   55   1HB   ALA   7           HB1      ALA   7  82.659  -3.891   6.732
   56   2HB   ALA   7           HB3      ALA   7  84.066  -3.336   5.824
   57   3HB   ALA   7           HB2      ALA   7  83.667  -2.594   7.373
   58    H    ALA   8           HN       ALA   8  80.258  -3.358   5.397
   59    HA   ALA   8           HA       ALA   8  80.810  -4.490   2.811
   60   1HB   ALA   8           HB2      ALA   8  79.148  -5.107   4.746
   61   2HB   ALA   8           HB1      ALA   8  78.054  -3.997   3.922
   62   3HB   ALA   8           HB3      ALA   8  78.668  -5.419   3.079
   63    H    VAL   9           HN       VAL   9  79.335  -1.467   3.849
   64    HA   VAL   9           HA       VAL   9  78.124  -0.831   1.276
   65    HB   VAL   9           HB       VAL   9  78.838   0.758   3.759
   66   1HG1  VAL   9          HG12      VAL   9  77.552   1.551   1.166
   67   2HG1  VAL   9          HG11      VAL   9  76.996   2.300   2.662
   68   3HG1  VAL   9          HG13      VAL   9  78.683   2.456   2.172
   69   1HG2  VAL   9          HG22      VAL   9  77.090  -1.077   3.895
   70   2HG2  VAL   9          HG21      VAL   9  76.498   0.534   4.299
   71   3HG2  VAL   9          HG23      VAL   9  76.144  -0.164   2.719
   72    H    GLU  10           HN       GLU  10  81.165   0.049   2.925
   73    HA   GLU  10           HA       GLU  10  82.060   1.966   1.000
   74   1HB   GLU  10           HB2      GLU  10  83.015   1.875   3.192
   75   2HB   GLU  10           HB1      GLU  10  83.393   0.160   3.028
   76   1HG   GLU  10           HG2      GLU  10  85.217   0.548   1.663
   77   2HG   GLU  10           HG1      GLU  10  84.563   2.064   1.045
   78    H    GLN  11           HN       GLN  11  82.338  -1.562   1.175
   79    HA   GLN  11           HA       GLN  11  84.297  -1.854  -0.927
   80   1HB   GLN  11           HB2      GLN  11  82.408  -3.511   0.657
   81   2HB   GLN  11           HB1      GLN  11  82.916  -4.196  -0.887
   82   1HG   GLN  11           HG2      GLN  11  84.576  -4.963   0.582
   83   2HG   GLN  11           HG1      GLN  11  85.317  -3.525  -0.120
   84   1HE2  GLN  11          HE22      GLN  11  85.265  -1.683   2.919
   85   2HE2  GLN  11          HE21      GLN  11  85.502  -1.605   1.240
   86    H    LEU  12           HN       LEU  12  81.007  -0.940  -0.983
   87    HA   LEU  12           HA       LEU  12  80.038  -2.150  -3.366
   88   1HB   LEU  12           HB2      LEU  12  79.551   0.481  -1.956
   89   2HB   LEU  12           HB1      LEU  12  78.621  -0.001  -3.376
   90    HG   LEU  12           HG       LEU  12  78.910  -1.768  -0.939
   91   1HD1  LEU  12          HD12      LEU  12  76.707   0.203  -1.623
   92   2HD1  LEU  12          HD11      LEU  12  76.633  -0.986  -0.324
   93   3HD1  LEU  12          HD13      LEU  12  77.815   0.320  -0.258
   94   1HD2  LEU  12          HD22      LEU  12  77.241  -1.758  -3.449
   95   2HD2  LEU  12          HD21      LEU  12  78.201  -3.071  -2.768
   96   3HD2  LEU  12          HD23      LEU  12  76.680  -2.604  -2.008
   97    H    THR  13           HN       THR  13  80.982  -2.027  -5.360
   98    HA   THR  13           HA       THR  13  83.032  -0.251  -6.153
   99    HB   THR  13           HB       THR  13  82.100  -0.951  -8.494
  100    HG1  THR  13           HG1      THR  13  80.448  -2.316  -8.471
  101   1HG2  THR  13          HG22      THR  13  83.201  -2.657  -6.306
  102   2HG2  THR  13          HG21      THR  13  82.671  -3.459  -7.785
  103   3HG2  THR  13          HG23      THR  13  83.919  -2.216  -7.855
  104    H    GLU  14           HN       GLU  14  82.996   1.732  -7.293
  105    HA   GLU  14           HA       GLU  14  80.928   3.595  -6.752
  106   1HB   GLU  14           HB2      GLU  14  83.471   3.639  -7.707
  107   2HB   GLU  14           HB1      GLU  14  82.578   3.956  -9.195
  108   1HG   GLU  14           HG2      GLU  14  81.283   5.720  -7.841
  109   2HG   GLU  14           HG1      GLU  14  82.553   5.550  -6.630
  110    H    GLU  15           HN       GLU  15  81.485   1.544  -9.613
  111    HA   GLU  15           HA       GLU  15  79.400   2.705 -11.234
  112   1HB   GLU  15           HB2      GLU  15  79.789   0.707 -12.600
  113   2HB   GLU  15           HB1      GLU  15  81.333   1.329 -12.018
  114   1HG   GLU  15           HG2      GLU  15  81.289  -0.316 -10.167
  115   2HG   GLU  15           HG1      GLU  15  79.764  -0.953 -10.784
  116    H    GLN  16           HN       GLN  16  79.398   0.391  -8.620
  117    HA   GLN  16           HA       GLN  16  76.822  -0.820  -9.257
  118   1HB   GLN  16           HB2      GLN  16  78.564  -1.952  -7.951
  119   2HB   GLN  16           HB1      GLN  16  78.505  -0.676  -6.734
  120   1HG   GLN  16           HG2      GLN  16  77.162  -2.417  -5.840
  121   2HG   GLN  16           HG1      GLN  16  76.007  -1.257  -6.499
  122   1HE2  GLN  16          HE22      GLN  16  75.020  -4.624  -7.759
  123   2HE2  GLN  16          HE21      GLN  16  75.136  -3.890  -6.232
  124    H    LYS  17           HN       LYS  17  77.804   1.254  -6.496
  125    HA   LYS  17           HA       LYS  17  75.185   1.936  -5.650
  126   1HB   LYS  17           HB2      LYS  17  76.392   3.823  -4.536
  127   2HB   LYS  17           HB1      LYS  17  77.230   2.283  -4.342
  128   1HG   LYS  17           HG2      LYS  17  78.403   3.078  -6.613
  129   2HG   LYS  17           HG1      LYS  17  77.995   4.667  -5.965
  130   1HD   LYS  17           HD2      LYS  17  79.017   3.180  -3.791
  131   2HD   LYS  17           HD1      LYS  17  80.103   2.871  -5.147
  132   1HE   LYS  17           HE2      LYS  17  81.046   4.852  -4.412
  133   2HE   LYS  17           HE1      LYS  17  79.774   5.550  -5.434
  134   1HZ   LYS  17           HZ2      LYS  17  78.382   5.053  -3.244
  135   2HZ   LYS  17           HZ1      LYS  17  79.899   5.323  -2.529
  136   3HZ   LYS  17           HZ3      LYS  17  79.191   6.527  -3.490
  137    H    ASN  18           HN       ASN  18  77.195   3.268  -8.220
  138    HA   ASN  18           HA       ASN  18  75.855   5.738  -8.668
  139   1HB   ASN  18           HB2      ASN  18  77.603   3.836 -10.123
  140   2HB   ASN  18           HB1      ASN  18  76.660   4.919 -11.147
  141   1HD2  ASN  18          HD22      ASN  18  79.951   6.440  -9.723
  142   2HD2  ASN  18          HD21      ASN  18  79.664   4.831 -10.183
  143    H    GLU  19           HN       GLU  19  75.234   2.492 -10.051
  144    HA   GLU  19           HA       GLU  19  73.080   3.188 -11.756
  145   1HB   GLU  19           HB2      GLU  19  74.463   0.927 -10.981
  146   2HB   GLU  19           HB1      GLU  19  72.852   0.621 -10.330
  147   1HG   GLU  19           HG2      GLU  19  72.004   1.373 -12.669
  148   2HG   GLU  19           HG1      GLU  19  73.663   1.084 -13.194
  149    H    PHE  20           HN       PHE  20  73.066   2.239  -8.311
  150    HA   PHE  20           HA       PHE  20  70.216   2.331  -7.961
  151   1HB   PHE  20           HB2      PHE  20  72.639   2.564  -6.167
  152   2HB   PHE  20           HB1      PHE  20  71.002   2.636  -5.513
  153    HD1  PHE  20           HD1      PHE  20  69.427   0.703  -5.887
  154    HD2  PHE  20           HD2      PHE  20  73.606   0.496  -6.863
  155    HE1  PHE  20           HE1      PHE  20  69.287  -1.772  -5.960
  156    HE2  PHE  20           HE2      PHE  20  73.466  -1.980  -6.936
  157    HZ   PHE  20           HZ       PHE  20  71.306  -3.113  -6.484
  158    H    LYS  21           HN       LYS  21  72.643   4.801  -8.218
  159    HA   LYS  21           HA       LYS  21  71.425   6.924  -6.749
  160   1HB   LYS  21           HB2      LYS  21  73.746   6.753  -7.787
  161   2HB   LYS  21           HB1      LYS  21  72.989   7.113  -9.340
  162   1HG   LYS  21           HG2      LYS  21  71.929   9.100  -7.825
  163   2HG   LYS  21           HG1      LYS  21  73.488   8.895  -7.023
  164   1HD   LYS  21           HD2      LYS  21  73.362   9.049 -10.023
  165   2HD   LYS  21           HD1      LYS  21  73.309  10.530  -9.067
  166   1HE   LYS  21           HE2      LYS  21  75.463  10.163  -8.157
  167   2HE   LYS  21           HE1      LYS  21  75.448   8.443  -8.595
  168   1HZ   LYS  21           HZ3      LYS  21  75.049   9.458 -10.970
  169   2HZ   LYS  21           HZ2      LYS  21  75.862  10.791 -10.300
  170   3HZ   LYS  21           HZ1      LYS  21  76.617   9.270 -10.354
  171    H    ALA  22           HN       ALA  22  71.307   6.326 -10.288
  172    HA   ALA  22           HA       ALA  22  69.298   8.245 -10.887
  173   1HB   ALA  22           HB3      ALA  22  70.516   5.821 -12.099
  174   2HB   ALA  22           HB2      ALA  22  68.950   6.298 -12.757
  175   3HB   ALA  22           HB1      ALA  22  70.300   7.431 -12.787
  176    H    ALA  23           HN       ALA  23  69.047   4.828  -9.924
  177    HA   ALA  23           HA       ALA  23  66.176   4.644 -10.224
  178   1HB   ALA  23           HB1      ALA  23  68.328   2.964  -9.775
  179   2HB   ALA  23           HB3      ALA  23  67.486   2.927  -8.226
  180   3HB   ALA  23           HB2      ALA  23  66.635   2.476  -9.703
  181    H    PHE  24           HN       PHE  24  68.340   5.437  -7.510
  182    HA   PHE  24           HA       PHE  24  66.485   5.421  -5.379
  183   1HB   PHE  24           HB2      PHE  24  68.831   5.704  -4.986
  184   2HB   PHE  24           HB1      PHE  24  68.906   7.116  -6.040
  185    HD1  PHE  24           HD1      PHE  24  67.860   9.265  -5.341
  186    HD2  PHE  24           HD2      PHE  24  68.071   5.879  -2.706
  187    HE1  PHE  24           HE1      PHE  24  67.364  10.737  -3.408
  188    HE2  PHE  24           HE2      PHE  24  67.576   7.352  -0.773
  189    HZ   PHE  24           HZ       PHE  24  67.222   9.781  -1.124
  190    H    ASP  25           HN       ASP  25  67.103   7.896  -7.848
  191    HA   ASP  25           HA       ASP  25  65.421   9.935  -6.669
  192   1HB   ASP  25           HB2      ASP  25  67.151   9.521  -8.916
  193   2HB   ASP  25           HB1      ASP  25  65.626  10.178  -9.511
  194    H    ILE  26           HN       ILE  26  64.760   7.064  -8.506
  195    HA   ILE  26           HA       ILE  26  62.163   7.990  -9.523
  196    HB   ILE  26           HB       ILE  26  63.365   5.215  -9.412
  197   1HG1  ILE  26          HG12      ILE  26  63.923   7.594 -11.174
  198   2HG1  ILE  26          HG11      ILE  26  65.060   6.451 -10.463
  199   1HG2  ILE  26          HG23      ILE  26  61.368   6.548 -11.265
  200   2HG2  ILE  26          HG22      ILE  26  61.977   4.903 -11.443
  201   3HG2  ILE  26          HG21      ILE  26  60.993   5.332 -10.045
  202   1HD1  ILE  26          HD13      ILE  26  64.114   4.674 -11.966
  203   2HD1  ILE  26          HD12      ILE  26  63.148   5.925 -12.750
  204   3HD1  ILE  26          HD11      ILE  26  64.909   5.986 -12.835
  205    H    PHE  27           HN       PHE  27  63.401   6.202  -6.753
  206    HA   PHE  27           HA       PHE  27  60.796   5.105  -5.992
  207   1HB   PHE  27           HB2      PHE  27  63.277   5.421  -4.288
  208   2HB   PHE  27           HB1      PHE  27  62.045   4.164  -4.189
  209    HD1  PHE  27           HD2      PHE  27  61.725   3.570  -7.125
  210    HD2  PHE  27           HD1      PHE  27  65.238   4.141  -4.719
  211    HE1  PHE  27           HE2      PHE  27  63.032   2.168  -8.701
  212    HE2  PHE  27           HE1      PHE  27  66.545   2.742  -6.295
  213    HZ   PHE  27           HZ       PHE  27  65.442   1.756  -8.286
  214    H    VAL  28           HN       VAL  28  62.304   8.153  -5.723
  215    HA   VAL  28           HA       VAL  28  60.797   8.890  -3.262
  216    HB   VAL  28           HB       VAL  28  62.268  10.915  -3.461
  217   1HG1  VAL  28          HG11      VAL  28  62.907   8.390  -2.598
  218   2HG1  VAL  28          HG13      VAL  28  64.219   8.728  -3.728
  219   3HG1  VAL  28          HG12      VAL  28  63.924   9.811  -2.368
  220   1HG2  VAL  28          HG21      VAL  28  62.473  10.096  -6.108
  221   2HG2  VAL  28          HG23      VAL  28  63.453  11.342  -5.337
  222   3HG2  VAL  28          HG22      VAL  28  64.045   9.683  -5.424
  223    H    LEU  29           HN       LEU  29  59.957   8.641  -6.351
  224    HA   LEU  29           HA       LEU  29  59.207  11.175  -7.334
  225   1HB   LEU  29           HB2      LEU  29  58.067   8.387  -7.521
  226   2HB   LEU  29           HB1      LEU  29  57.309   9.731  -8.378
  227    HG   LEU  29           HG       LEU  29  60.271   9.233  -8.620
  228   1HD1  LEU  29          HD11      LEU  29  58.889   7.149  -9.187
  229   2HD1  LEU  29          HD13      LEU  29  58.195   8.096 -10.503
  230   3HD1  LEU  29          HD12      LEU  29  59.928   7.768 -10.470
  231   1HD2  LEU  29          HD22      LEU  29  58.150  10.824  -9.993
  232   2HD2  LEU  29          HD21      LEU  29  59.829  11.248  -9.652
  233   3HD2  LEU  29          HD23      LEU  29  59.446  10.173 -10.997
  234    H    GLY  30           HN       GLY  30  58.541  12.398  -5.385
  235   1HA   GLY  30           HA2      GLY  30  56.176  13.292  -4.898
  236   2HA   GLY  30           HA1      GLY  30  55.826  11.641  -4.389
  237    H    ALA  31           HN       ALA  31  58.967  12.146  -3.538
  238    HA   ALA  31           HA       ALA  31  58.374  12.305  -0.714
  239   1HB   ALA  31           HB2      ALA  31  60.772  12.294  -2.509
  240   2HB   ALA  31           HB1      ALA  31  60.996  12.761  -0.823
  241   3HB   ALA  31           HB3      ALA  31  60.340  11.173  -1.218
  242    H    GLU  32           HN       GLU  32  59.157  14.070   0.723
  243    HA   GLU  32           HA       GLU  32  58.364  16.693  -0.248
  244   1HB   GLU  32           HB2      GLU  32  58.778  17.328   2.057
  245   2HB   GLU  32           HB1      GLU  32  58.042  15.725   2.062
  246   1HG   GLU  32           HG2      GLU  32  60.113  14.653   2.504
  247   2HG   GLU  32           HG1      GLU  32  61.041  16.090   2.073
  248    H    ASP  33           HN       ASP  33  61.418  15.011   0.187
  249    HA   ASP  33           HA       ASP  33  62.835  17.449  -0.837
  250   1HB   ASP  33           HB2      ASP  33  64.630  16.949   0.731
  251   2HB   ASP  33           HB1      ASP  33  63.111  17.024   1.625
  252    H    GLY  34           HN       GLY  34  62.685  13.915  -0.636
  253   1HA   GLY  34           HA2      GLY  34  63.210  13.021  -3.059
  254   2HA   GLY  34           HA1      GLY  34  64.800  13.702  -2.717
  255    H    CYS  35           HN       CYS  35  62.668  12.065  -0.409
  256    HA   CYS  35           HA       CYS  35  64.844  10.061   0.042
  257   1HB   CYS  35           HB2      CYS  35  62.582  11.185   1.713
  258   2HB   CYS  35           HB1      CYS  35  63.542   9.801   2.233
  259    HG   CYS  35           HG       CYS  35  65.452  11.306   2.754
  260    H    ILE  36           HN       ILE  36  64.092   7.819   0.529
  261    HA   ILE  36           HA       ILE  36  61.691   7.125  -1.119
  262    HB   ILE  36           HB       ILE  36  63.663   5.080  -0.182
  263   1HG1  ILE  36          HG12      ILE  36  64.295   7.139  -2.325
  264   2HG1  ILE  36          HG11      ILE  36  65.136   6.967  -0.785
  265   1HG2  ILE  36          HG22      ILE  36  62.171   5.689  -2.746
  266   2HG2  ILE  36          HG21      ILE  36  63.348   4.384  -2.603
  267   3HG2  ILE  36          HG23      ILE  36  61.881   4.359  -1.624
  268   1HD1  ILE  36          HD12      ILE  36  65.041   4.410  -2.100
  269   2HD1  ILE  36          HD11      ILE  36  65.686   5.613  -3.217
  270   3HD1  ILE  36          HD13      ILE  36  66.455   5.364  -1.649
  271    H    SER  37           HN       SER  37  60.012   7.231   0.416
  272    HA   SER  37           HA       SER  37  60.146   6.427   3.140
  273   1HB   SER  37           HB2      SER  37  57.643   6.026   1.566
  274   2HB   SER  37           HB1      SER  37  57.888   6.898   3.077
  275    HG   SER  37           HG       SER  37  57.587   8.439   1.544
  276    H    THR  38           HN       THR  38  59.214   4.456   4.119
  277    HA   THR  38           HA       THR  38  60.155   2.023   2.890
  278    HB   THR  38           HB       THR  38  59.302   1.023   4.906
  279    HG1  THR  38           HG1      THR  38  57.595   1.782   5.927
  280   1HG2  THR  38          HG21      THR  38  60.741   3.508   4.940
  281   2HG2  THR  38          HG23      THR  38  59.714   3.416   6.371
  282   3HG2  THR  38          HG22      THR  38  60.885   2.138   6.041
  283    H    LYS  39           HN       LYS  39  56.934   3.501   3.228
  284    HA   LYS  39           HA       LYS  39  55.410   1.300   2.199
  285   1HB   LYS  39           HB2      LYS  39  54.841   3.608   3.403
  286   2HB   LYS  39           HB1      LYS  39  54.636   4.159   1.739
  287   1HG   LYS  39           HG2      LYS  39  53.136   2.126   1.386
  288   2HG   LYS  39           HG1      LYS  39  53.172   1.910   3.136
  289   1HD   LYS  39           HD2      LYS  39  52.621   4.654   2.664
  290   2HD   LYS  39           HD1      LYS  39  51.569   3.730   1.591
  291   1HE   LYS  39           HE2      LYS  39  51.777   2.645   4.339
  292   2HE   LYS  39           HE1      LYS  39  50.970   4.220   4.210
  293   1HZ   LYS  39           HZ3      LYS  39  49.887   3.095   2.135
  294   2HZ   LYS  39           HZ2      LYS  39  50.251   1.658   2.966
  295   3HZ   LYS  39           HZ1      LYS  39  49.247   2.826   3.683
  296    H    GLU  40           HN       GLU  40  57.259   3.858   0.638
  297    HA   GLU  40           HA       GLU  40  56.150   3.197  -2.032
  298   1HB   GLU  40           HB2      GLU  40  57.085   5.477  -0.770
  299   2HB   GLU  40           HB1      GLU  40  58.433   5.035  -1.819
  300   1HG   GLU  40           HG2      GLU  40  56.997   5.017  -3.766
  301   2HG   GLU  40           HG1      GLU  40  55.562   5.244  -2.765
  302    H    LEU  41           HN       LEU  41  58.120   1.493  -0.231
  303    HA   LEU  41           HA       LEU  41  60.334   1.198  -2.214
  304   1HB   LEU  41           HB2      LEU  41  59.987   1.005   0.664
  305   2HB   LEU  41           HB1      LEU  41  60.728  -0.462   0.025
  306    HG   LEU  41           HG       LEU  41  61.696   2.384  -0.363
  307   1HD1  LEU  41          HD11      LEU  41  62.245   1.281   1.803
  308   2HD1  LEU  41          HD13      LEU  41  62.997  -0.042   0.912
  309   3HD1  LEU  41          HD12      LEU  41  63.679   1.583   0.822
  310   1HD2  LEU  41          HD21      LEU  41  61.984   0.082  -2.061
  311   2HD2  LEU  41          HD23      LEU  41  62.679   1.689  -2.266
  312   3HD2  LEU  41          HD22      LEU  41  63.549   0.463  -1.346
  313    H    GLY  42           HN       GLY  42  57.583  -0.483  -0.795
  314   1HA   GLY  42           HA2      GLY  42  58.173  -3.146  -1.526
  315   2HA   GLY  42           HA1      GLY  42  56.538  -2.487  -1.435
  316    H    LYS  43           HN       LYS  43  56.279  -0.760  -3.424
  317    HA   LYS  43           HA       LYS  43  56.070  -2.318  -5.794
  318   1HB   LYS  43           HB2      LYS  43  55.538  -0.147  -6.816
  319   2HB   LYS  43           HB1      LYS  43  54.810  -0.244  -5.213
  320   1HG   LYS  43           HG2      LYS  43  56.404   1.200  -4.261
  321   2HG   LYS  43           HG1      LYS  43  57.551   0.950  -5.577
  322   1HD   LYS  43           HD2      LYS  43  55.133   1.969  -6.706
  323   2HD   LYS  43           HD1      LYS  43  55.570   2.993  -5.337
  324   1HE   LYS  43           HE2      LYS  43  58.004   2.503  -6.650
  325   2HE   LYS  43           HE1      LYS  43  56.836   2.816  -7.948
  326   1HZ   LYS  43           HZ2      LYS  43  56.721   4.467  -5.528
  327   2HZ   LYS  43           HZ1      LYS  43  57.948   4.791  -6.658
  328   3HZ   LYS  43           HZ3      LYS  43  56.322   4.870  -7.129
  329    H    VAL  44           HN       VAL  44  58.740  -0.498  -4.466
  330    HA   VAL  44           HA       VAL  44  60.249  -0.313  -6.966
  331    HB   VAL  44           HB       VAL  44  60.900   0.073  -4.029
  332   1HG1  VAL  44          HG12      VAL  44  62.836  -0.535  -5.686
  333   2HG1  VAL  44          HG11      VAL  44  62.584   1.098  -6.300
  334   3HG1  VAL  44          HG13      VAL  44  63.032   0.850  -4.613
  335   1HG2  VAL  44          HG22      VAL  44  60.130   1.882  -6.319
  336   2HG2  VAL  44          HG21      VAL  44  59.407   1.774  -4.713
  337   3HG2  VAL  44          HG23      VAL  44  60.998   2.508  -4.917
  338    H    MET  45           HN       MET  45  60.632  -2.213  -3.942
  339    HA   MET  45           HA       MET  45  62.829  -3.779  -4.532
  340   1HB   MET  45           HB2      MET  45  60.162  -4.488  -3.281
  341   2HB   MET  45           HB1      MET  45  61.562  -5.559  -3.217
  342   1HG   MET  45           HG2      MET  45  61.852  -2.693  -2.366
  343   2HG   MET  45           HG1      MET  45  61.146  -3.864  -1.253
  344   1HE   MET  45           HE1      MET  45  63.861  -2.123  -2.489
  345   2HE   MET  45           HE3      MET  45  64.188  -2.269  -0.756
  346   3HE   MET  45           HE2      MET  45  65.344  -2.894  -1.930
  347    H    ARG  46           HN       ARG  46  59.534  -4.186  -5.816
  348    HA   ARG  46           HA       ARG  46  59.923  -6.669  -7.167
  349   1HB   ARG  46           HB2      ARG  46  58.198  -4.249  -7.792
  350   2HB   ARG  46           HB1      ARG  46  57.975  -5.844  -8.509
  351   1HG   ARG  46           HG2      ARG  46  58.104  -6.399  -5.800
  352   2HG   ARG  46           HG1      ARG  46  57.213  -4.877  -5.850
  353   1HD   ARG  46           HD2      ARG  46  55.457  -5.792  -7.101
  354   2HD   ARG  46           HD1      ARG  46  56.470  -7.097  -7.749
  355    HE   ARG  46           HE       ARG  46  56.536  -7.976  -5.346
  356   1HH1  ARG  46          HH21      ARG  46  55.062  -5.795  -4.007
  357   2HH1  ARG  46          HH22      ARG  46  53.439  -6.399  -3.958
  358   1HH2  ARG  46          HH11      ARG  46  53.986  -8.828  -6.370
  359   2HH2  ARG  46          HH12      ARG  46  52.830  -8.114  -5.297
  360    H    MET  47           HN       MET  47  60.501  -3.304  -8.197
  361    HA   MET  47           HA       MET  47  61.253  -3.890 -10.907
  362   1HB   MET  47           HB2      MET  47  61.939  -1.659  -8.966
  363   2HB   MET  47           HB1      MET  47  62.331  -1.609 -10.684
  364   1HG   MET  47           HG2      MET  47  60.041  -1.609 -11.317
  365   2HG   MET  47           HG1      MET  47  59.517  -2.106  -9.708
  366   1HE   MET  47           HE3      MET  47  61.268   0.572 -11.822
  367   2HE   MET  47           HE2      MET  47  61.443   1.943 -10.731
  368   3HE   MET  47           HE1      MET  47  62.365   0.470 -10.437
  369    H    LEU  48           HN       LEU  48  63.400  -2.932  -8.198
  370    HA   LEU  48           HA       LEU  48  65.872  -3.572  -9.313
  371   1HB   LEU  48           HB2      LEU  48  64.778  -3.871  -6.502
  372   2HB   LEU  48           HB1      LEU  48  66.494  -4.020  -6.880
  373    HG   LEU  48           HG       LEU  48  64.728  -1.596  -7.297
  374   1HD1  LEU  48          HD13      LEU  48  66.157  -2.407  -5.096
  375   2HD1  LEU  48          HD12      LEU  48  67.334  -1.395  -5.933
  376   3HD1  LEU  48          HD11      LEU  48  65.767  -0.728  -5.470
  377   1HD2  LEU  48          HD21      LEU  48  67.403  -2.352  -8.432
  378   2HD2  LEU  48          HD23      LEU  48  66.069  -1.493  -9.202
  379   3HD2  LEU  48          HD22      LEU  48  67.091  -0.663  -8.030
  380    H    GLY  49           HN       GLY  49  64.380  -5.797  -6.945
  381   1HA   GLY  49           HA2      GLY  49  64.087  -8.107  -8.443
  382   2HA   GLY  49           HA1      GLY  49  65.811  -8.065  -8.075
  383    H    GLN  50           HN       GLN  50  63.183  -6.918  -5.984
  384    HA   GLN  50           HA       GLN  50  63.925  -9.084  -4.041
  385   1HB   GLN  50           HB2      GLN  50  63.406  -6.126  -3.743
  386   2HB   GLN  50           HB1      GLN  50  63.240  -7.212  -2.364
  387   1HG   GLN  50           HG2      GLN  50  65.483  -6.470  -2.246
  388   2HG   GLN  50           HG1      GLN  50  65.594  -8.066  -2.987
  389   1HE2  GLN  50          HE22      GLN  50  67.650  -6.123  -5.256
  390   2HE2  GLN  50          HE21      GLN  50  67.742  -6.961  -3.782
  391    H    ASN  51           HN       ASN  51  62.051  -9.239  -2.308
  392    HA   ASN  51           HA       ASN  51  59.364  -8.724  -3.464
  393   1HB   ASN  51           HB2      ASN  51  60.667 -11.058  -4.016
  394   2HB   ASN  51           HB1      ASN  51  59.825 -11.498  -2.529
  395   1HD2  ASN  51          HD21      ASN  51  57.376 -10.652  -2.561
  396   2HD2  ASN  51          HD22      ASN  51  56.544 -10.929  -4.016
  397    HA   PRO  52           HA       PRO  52  59.846  -8.761   1.225
  398   1HB   PRO  52           HB2      PRO  52  59.748  -6.065   1.669
  399   2HB   PRO  52           HB1      PRO  52  61.266  -6.944   1.401
  400   1HG   PRO  52           HG2      PRO  52  59.706  -5.247  -0.470
  401   2HG   PRO  52           HG1      PRO  52  61.458  -5.445  -0.314
  402   1HD   PRO  52           HD2      PRO  52  59.922  -6.636  -2.263
  403   2HD   PRO  52           HD1      PRO  52  61.501  -7.238  -1.716
  404    H    THR  53           HN       THR  53  58.084  -8.167   2.716
  405    HA   THR  53           HA       THR  53  55.504  -7.737   1.284
  406    HB   THR  53           HB       THR  53  54.938  -8.411   3.888
  407    HG1  THR  53           HG1      THR  53  56.488  -9.854   4.543
  408   1HG2  THR  53          HG21      THR  53  55.634 -10.250   1.583
  409   2HG2  THR  53          HG23      THR  53  54.727 -10.731   3.016
  410   3HG2  THR  53          HG22      THR  53  54.055  -9.535   1.908
  411    HA   PRO  54           HA       PRO  54  54.726  -3.838   3.146
  412   1HB   PRO  54           HB2      PRO  54  52.224  -4.076   4.237
  413   2HB   PRO  54           HB1      PRO  54  52.513  -3.979   2.488
  414   1HG   PRO  54           HG2      PRO  54  51.976  -6.364   4.190
  415   2HG   PRO  54           HG1      PRO  54  51.393  -5.985   2.561
  416   1HD   PRO  54           HD2      PRO  54  53.428  -7.722   3.042
  417   2HD   PRO  54           HD1      PRO  54  53.302  -6.759   1.552
  418    H    GLU  55           HN       GLU  55  54.387  -6.644   5.222
  419    HA   GLU  55           HA       GLU  55  54.387  -5.095   7.720
  420   1HB   GLU  55           HB2      GLU  55  53.210  -7.176   7.684
  421   2HB   GLU  55           HB1      GLU  55  54.574  -8.015   6.945
  422   1HG   GLU  55           HG2      GLU  55  55.311  -6.721   9.456
  423   2HG   GLU  55           HG1      GLU  55  54.015  -7.897   9.671
  424    H    GLU  56           HN       GLU  56  56.707  -7.064   5.858
  425    HA   GLU  56           HA       GLU  56  58.879  -6.728   7.767
  426   1HB   GLU  56           HB2      GLU  56  58.265  -8.109   5.300
  427   2HB   GLU  56           HB1      GLU  56  59.856  -7.356   5.190
  428   1HG   GLU  56           HG2      GLU  56  60.636  -8.489   7.143
  429   2HG   GLU  56           HG1      GLU  56  59.007  -9.007   7.576
  430    H    LEU  57           HN       LEU  57  57.952  -5.191   4.691
  431    HA   LEU  57           HA       LEU  57  60.093  -3.607   4.023
  432   1HB   LEU  57           HB2      LEU  57  57.137  -3.309   4.039
  433   2HB   LEU  57           HB1      LEU  57  58.058  -1.830   3.761
  434    HG   LEU  57           HG       LEU  57  58.618  -4.382   2.241
  435   1HD1  LEU  57          HD11      LEU  57  56.385  -2.505   1.981
  436   2HD1  LEU  57          HD13      LEU  57  57.331  -2.646   0.500
  437   3HD1  LEU  57          HD12      LEU  57  56.616  -4.084   1.230
  438   1HD2  LEU  57          HD23      LEU  57  59.485  -1.522   2.147
  439   2HD2  LEU  57          HD22      LEU  57  60.423  -2.987   1.860
  440   3HD2  LEU  57          HD21      LEU  57  59.333  -2.380   0.614
  441    H    GLN  58           HN       GLN  58  57.557  -2.266   6.171
  442    HA   GLN  58           HA       GLN  58  59.029  -0.072   7.143
  443   1HB   GLN  58           HB2      GLN  58  56.549  -0.825   7.411
  444   2HB   GLN  58           HB1      GLN  58  57.124  -1.686   8.839
  445   1HG   GLN  58           HG2      GLN  58  57.338   1.289   8.302
  446   2HG   GLN  58           HG1      GLN  58  56.358   0.502   9.541
  447   1HE2  GLN  58          HE22      GLN  58  60.154   1.427  10.397
  448   2HE2  GLN  58          HE21      GLN  58  59.324   2.037   9.047
  449    H    GLU  59           HN       GLU  59  58.948  -3.427   8.323
  450    HA   GLU  59           HA       GLU  59  60.557  -2.959  10.675
  451   1HB   GLU  59           HB2      GLU  59  59.053  -4.877  10.372
  452   2HB   GLU  59           HB1      GLU  59  60.010  -5.431   8.998
  453   1HG   GLU  59           HG2      GLU  59  61.837  -6.031  10.349
  454   2HG   GLU  59           HG1      GLU  59  61.302  -5.012  11.686
  455    H    MET  60           HN       MET  60  61.414  -4.654   7.625
  456    HA   MET  60           HA       MET  60  64.151  -4.948   7.975
  457   1HB   MET  60           HB2      MET  60  62.402  -5.390   5.996
  458   2HB   MET  60           HB1      MET  60  63.159  -3.938   5.343
  459   1HG   MET  60           HG2      MET  60  65.142  -4.991   4.951
  460   2HG   MET  60           HG1      MET  60  65.039  -5.946   6.431
  461   1HE   MET  60           HE3      MET  60  64.962  -7.854   6.601
  462   2HE   MET  60           HE2      MET  60  63.753  -8.978   5.988
  463   3HE   MET  60           HE1      MET  60  65.329  -8.875   5.205
  464    H    ILE  61           HN       ILE  61  62.510  -2.045   6.658
  465    HA   ILE  61           HA       ILE  61  64.950  -0.503   6.404
  466    HB   ILE  61           HB       ILE  61  61.985   0.089   6.442
  467   1HG1  ILE  61          HG12      ILE  61  63.554   0.793   4.086
  468   2HG1  ILE  61          HG11      ILE  61  63.736  -0.911   4.507
  469   1HG2  ILE  61          HG22      ILE  61  64.322   1.993   6.182
  470   2HG2  ILE  61          HG21      ILE  61  62.718   2.373   5.552
  471   3HG2  ILE  61          HG23      ILE  61  62.947   2.108   7.281
  472   1HD1  ILE  61          HD13      ILE  61  60.992   0.292   4.535
  473   2HD1  ILE  61          HD12      ILE  61  61.722  -0.119   2.983
  474   3HD1  ILE  61          HD11      ILE  61  61.480  -1.370   4.204
  475    H    ASP  62           HN       ASP  62  62.709  -1.136   9.014
  476    HA   ASP  62           HA       ASP  62  63.423   1.152  10.653
  477   1HB   ASP  62           HB2      ASP  62  61.322   0.073  10.998
  478   2HB   ASP  62           HB1      ASP  62  62.073  -1.519  11.096
  479    H    GLU  63           HN       GLU  63  65.224  -1.494   9.705
  480    HA   GLU  63           HA       GLU  63  66.637  -1.820  12.302
  481   1HB   GLU  63           HB2      GLU  63  66.713  -3.218   9.613
  482   2HB   GLU  63           HB1      GLU  63  67.793  -3.637  10.943
  483   1HG   GLU  63           HG2      GLU  63  65.253  -3.548  12.112
  484   2HG   GLU  63           HG1      GLU  63  64.997  -4.343  10.558
  485    H    VAL  64           HN       VAL  64  67.358  -0.964   8.893
  486    HA   VAL  64           HA       VAL  64  70.098  -0.159   9.579
  487    HB   VAL  64           HB       VAL  64  69.329  -1.249   7.430
  488   1HG1  VAL  64          HG13      VAL  64  67.906   1.392   7.225
  489   2HG1  VAL  64          HG12      VAL  64  68.457   0.580   5.762
  490   3HG1  VAL  64          HG11      VAL  64  67.315  -0.224   6.839
  491   1HG2  VAL  64          HG23      VAL  64  71.442   0.192   7.746
  492   2HG2  VAL  64          HG22      VAL  64  70.887  -0.059   6.090
  493   3HG2  VAL  64          HG21      VAL  64  70.552   1.465   6.912
  494    H    ASP  65           HN       ASP  65  66.971   1.358   9.310
  495    HA   ASP  65           HA       ASP  65  67.992   4.083   8.983
  496   1HB   ASP  65           HB2      ASP  65  65.784   3.279   8.169
  497   2HB   ASP  65           HB1      ASP  65  65.288   2.994   9.838
  498    H    GLU  66           HN       GLU  66  69.248   4.778  10.720
  499    HA   GLU  66           HA       GLU  66  68.239   4.262  13.487
  500   1HB   GLU  66           HB2      GLU  66  70.585   4.910  14.079
  501   2HB   GLU  66           HB1      GLU  66  70.519   3.549  12.959
  502   1HG   GLU  66           HG2      GLU  66  71.430   4.745  11.243
  503   2HG   GLU  66           HG1      GLU  66  70.581   6.224  11.692
  504    H    ASP  67           HN       ASP  67  67.830   6.567  11.204
  505    HA   ASP  67           HA       ASP  67  68.388   8.945  12.866
  506   1HB   ASP  67           HB2      ASP  67  66.930   8.745  10.220
  507   2HB   ASP  67           HB1      ASP  67  67.811  10.130  10.863
  508    H    GLY  68           HN       GLY  68  65.838   6.710  12.491
  509   1HA   GLY  68           HA2      GLY  68  63.644   6.701  13.328
  510   2HA   GLY  68           HA1      GLY  68  64.116   8.085  14.316
  511    H    SER  69           HN       SER  69  64.373   8.115  10.818
  512    HA   SER  69           HA       SER  69  62.485  10.403  10.737
  513   1HB   SER  69           HB2      SER  69  63.499  10.740   8.530
  514   2HB   SER  69           HB1      SER  69  64.767  10.465   9.722
  515    HG   SER  69           HG       SER  69  65.119   8.497   8.913
  516    H    GLY  70           HN       GLY  70  62.846   7.110   9.462
  517   1HA   GLY  70           HA2      GLY  70  60.964   5.700   8.917
  518   2HA   GLY  70           HA1      GLY  70  59.967   7.146   8.751
  519    H    THR  71           HN       THR  71  62.915   7.671   7.244
  520    HA   THR  71           HA       THR  71  61.823   6.770   4.598
  521    HB   THR  71           HB       THR  71  63.162   8.952   3.896
  522    HG1  THR  71           HG1      THR  71  62.287   9.853   6.374
  523   1HG2  THR  71          HG23      THR  71  60.443   8.376   4.655
  524   2HG2  THR  71          HG22      THR  71  60.833  10.046   5.069
  525   3HG2  THR  71          HG21      THR  71  61.032   9.478   3.411
  526    H    VAL  72           HN       VAL  72  63.386   5.992   3.117
  527    HA   VAL  72           HA       VAL  72  65.983   5.205   4.321
  528    HB   VAL  72           HB       VAL  72  64.884   4.507   1.592
  529   1HG1  VAL  72          HG12      VAL  72  67.255   3.888   2.685
  530   2HG1  VAL  72          HG11      VAL  72  66.288   2.595   3.394
  531   3HG1  VAL  72          HG13      VAL  72  66.382   2.763   1.642
  532   1HG2  VAL  72          HG23      VAL  72  64.130   3.363   4.295
  533   2HG2  VAL  72          HG22      VAL  72  63.049   4.053   3.084
  534   3HG2  VAL  72          HG21      VAL  72  63.848   2.511   2.776
  535    H    ASP  73           HN       ASP  73  67.565   6.759   4.078
  536    HA   ASP  73           HA       ASP  73  67.568   8.548   1.727
  537   1HB   ASP  73           HB2      ASP  73  69.436   8.276   4.106
  538   2HB   ASP  73           HB1      ASP  73  69.390   9.633   2.980
  539    H    PHE  74           HN       PHE  74  69.574   8.772   0.422
  540    HA   PHE  74           HA       PHE  74  70.482   6.513  -0.879
  541   1HB   PHE  74           HB2      PHE  74  70.929   9.028  -1.255
  542   2HB   PHE  74           HB1      PHE  74  72.303   8.820  -0.168
  543    HD1  PHE  74           HD1      PHE  74  70.776   6.823  -2.963
  544    HD2  PHE  74           HD2      PHE  74  74.324   8.568  -1.286
  545    HE1  PHE  74           HE1      PHE  74  72.116   5.892  -4.829
  546    HE2  PHE  74           HE2      PHE  74  75.664   7.637  -3.153
  547    HZ   PHE  74           HZ       PHE  74  74.560   6.299  -4.925
  548    H    ASP  75           HN       ASP  75  71.679   7.801   2.201
  549    HA   ASP  75           HA       ASP  75  73.962   6.038   2.420
  550   1HB   ASP  75           HB2      ASP  75  73.389   8.266   3.601
  551   2HB   ASP  75           HB1      ASP  75  72.391   7.290   4.679
  552    H    GLU  76           HN       GLU  76  70.773   5.996   4.073
  553    HA   GLU  76           HA       GLU  76  71.170   3.364   5.214
  554   1HB   GLU  76           HB2      GLU  76  68.712   5.074   4.706
  555   2HB   GLU  76           HB1      GLU  76  68.738   3.646   5.742
  556   1HG   GLU  76           HG2      GLU  76  70.136   4.670   7.331
  557   2HG   GLU  76           HG1      GLU  76  70.688   5.896   6.190
  558    H    PHE  77           HN       PHE  77  69.629   4.582   2.261
  559    HA   PHE  77           HA       PHE  77  68.178   2.313   1.439
  560   1HB   PHE  77           HB2      PHE  77  68.210   4.567   0.384
  561   2HB   PHE  77           HB1      PHE  77  69.830   4.237  -0.230
  562    HD1  PHE  77           HD1      PHE  77  66.269   3.205  -0.409
  563    HD2  PHE  77           HD2      PHE  77  70.185   2.814  -2.131
  564    HE1  PHE  77           HE1      PHE  77  65.291   2.044  -2.370
  565    HE2  PHE  77           HE2      PHE  77  69.207   1.653  -4.092
  566    HZ   PHE  77           HZ       PHE  77  66.760   1.267  -4.211
  567    H    LEU  78           HN       LEU  78  71.640   3.052   0.897
  568    HA   LEU  78           HA       LEU  78  72.179   0.651  -0.619
  569   1HB   LEU  78           HB2      LEU  78  73.661   2.876   0.695
  570   2HB   LEU  78           HB1      LEU  78  74.582   1.409   0.370
  571    HG   LEU  78           HG       LEU  78  73.021   3.050  -1.646
  572   1HD1  LEU  78          HD11      LEU  78  75.805   2.950  -0.763
  573   2HD1  LEU  78          HD13      LEU  78  75.649   2.663  -2.496
  574   3HD1  LEU  78          HD12      LEU  78  74.997   4.140  -1.785
  575   1HD2  LEU  78          HD21      LEU  78  73.943   0.253  -1.655
  576   2HD2  LEU  78          HD23      LEU  78  72.776   1.053  -2.707
  577   3HD2  LEU  78          HD22      LEU  78  74.502   1.187  -3.042
  578    H    VAL  79           HN       VAL  79  72.986   1.536   2.767
  579    HA   VAL  79           HA       VAL  79  74.143  -0.836   3.650
  580    HB   VAL  79           HB       VAL  79  72.127   0.957   5.045
  581   1HG1  VAL  79          HG13      VAL  79  74.218  -0.936   6.164
  582   2HG1  VAL  79          HG12      VAL  79  73.247   0.185   7.119
  583   3HG1  VAL  79          HG11      VAL  79  72.471  -1.147   6.264
  584   1HG2  VAL  79          HG23      VAL  79  74.789   1.402   4.071
  585   2HG2  VAL  79          HG22      VAL  79  73.757   2.511   4.975
  586   3HG2  VAL  79          HG21      VAL  79  74.831   1.408   5.835
  587    H    MET  80           HN       MET  80  70.709  -0.190   3.066
  588    HA   MET  80           HA       MET  80  69.683  -2.571   4.324
  589   1HB   MET  80           HB2      MET  80  68.778  -0.280   2.865
  590   2HB   MET  80           HB1      MET  80  68.061  -1.715   2.133
  591   1HG   MET  80           HG2      MET  80  67.136  -2.425   4.239
  592   2HG   MET  80           HG1      MET  80  68.039  -1.189   5.114
  593   1HE   MET  80           HE2      MET  80  66.144  -1.787   2.098
  594   2HE   MET  80           HE1      MET  80  64.528  -1.525   2.749
  595   3HE   MET  80           HE3      MET  80  65.278  -0.301   1.715
  596    H    MET  81           HN       MET  81  70.601  -1.828   0.946
  597    HA   MET  81           HA       MET  81  69.845  -4.393  -0.126
  598   1HB   MET  81           HB2      MET  81  71.312  -1.954  -0.917
  599   2HB   MET  81           HB1      MET  81  71.820  -3.415  -1.763
  600   1HG   MET  81           HG2      MET  81  69.947  -3.411  -3.012
  601   2HG   MET  81           HG1      MET  81  68.938  -3.338  -1.567
  602   1HE   MET  81           HE2      MET  81  67.873  -2.360  -3.870
  603   2HE   MET  81           HE1      MET  81  67.015  -1.533  -2.570
  604   3HE   MET  81           HE3      MET  81  67.603  -0.621  -3.967
  605    H    VAL  82           HN       VAL  82  73.035  -3.067   0.842
  606    HA   VAL  82           HA       VAL  82  74.628  -5.327   0.309
  607    HB   VAL  82           HB       VAL  82  75.514  -3.157   0.956
  608   1HG1  VAL  82          HG13      VAL  82  74.013  -3.695   3.526
  609   2HG1  VAL  82          HG12      VAL  82  75.281  -2.475   3.406
  610   3HG1  VAL  82          HG11      VAL  82  73.821  -2.330   2.426
  611   1HG2  VAL  82          HG22      VAL  82  76.497  -5.534   1.845
  612   2HG2  VAL  82          HG21      VAL  82  77.309  -3.989   2.101
  613   3HG2  VAL  82          HG23      VAL  82  76.303  -4.678   3.375
  614    H    ARG  83           HN       ARG  83  72.181  -4.893   2.729
  615    HA   ARG  83           HA       ARG  83  73.166  -7.043   4.486
  616   1HB   ARG  83           HB2      ARG  83  70.812  -5.171   4.341
  617   2HB   ARG  83           HB1      ARG  83  70.774  -6.540   5.453
  618   1HG   ARG  83           HG2      ARG  83  73.034  -5.748   6.315
  619   2HG   ARG  83           HG1      ARG  83  72.773  -4.270   5.388
  620   1HD   ARG  83           HD2      ARG  83  71.787  -3.575   7.355
  621   2HD   ARG  83           HD1      ARG  83  70.387  -4.446   6.698
  622    HE   ARG  83           HE       ARG  83  72.212  -6.223   8.094
  623   1HH1  ARG  83          HH21      ARG  83  69.801  -3.796   8.542
  624   2HH1  ARG  83          HH22      ARG  83  69.167  -4.506   9.987
  625   1HH2  ARG  83          HH11      ARG  83  71.334  -7.214   9.931
  626   2HH2  ARG  83          HH12      ARG  83  70.032  -6.442  10.773
  627    H    CYS  84           HN       CYS  84  70.583  -6.565   2.079
  628    HA   CYS  84           HA       CYS  84  69.434  -9.212   2.440
  629   1HB   CYS  84           HB2      CYS  84  69.164  -6.863   0.608
  630   2HB   CYS  84           HB1      CYS  84  68.490  -8.404   0.073
  631    HG   CYS  84           HG       CYS  84  67.504  -6.771   2.523
  632    H    MET  85           HN       MET  85  72.292  -8.142   0.953
  633    HA   MET  85           HA       MET  85  72.339 -10.576  -0.804
  634   1HB   MET  85           HB2      MET  85  73.512  -9.288  -2.418
  635   2HB   MET  85           HB1      MET  85  72.259  -8.199  -1.824
  636   1HG   MET  85           HG2      MET  85  73.843  -7.118  -0.323
  637   2HG   MET  85           HG1      MET  85  75.100  -8.274  -0.764
  638   1HE   MET  85           HE1      MET  85  72.639  -5.765  -1.726
  639   2HE   MET  85           HE3      MET  85  73.974  -4.613  -1.581
  640   3HE   MET  85           HE2      MET  85  73.228  -4.910  -3.150
  641    H    LYS  86           HN       LYS  86  73.558  -9.277   2.000
  642    HA   LYS  86           HA       LYS  86  76.309  -9.497   2.072
  643   1HB   LYS  86           HB2      LYS  86  74.041  -9.969   3.874
  644   2HB   LYS  86           HB1      LYS  86  75.479 -10.885   4.331
  645   1HG   LYS  86           HG2      LYS  86  76.359  -8.287   3.600
  646   2HG   LYS  86           HG1      LYS  86  74.970  -8.077   4.666
  647   1HD   LYS  86           HD2      LYS  86  76.350  -8.486   6.398
  648   2HD   LYS  86           HD1      LYS  86  76.455 -10.152   5.827
  649   1HE   LYS  86           HE2      LYS  86  78.534  -9.838   4.885
  650   2HE   LYS  86           HE1      LYS  86  78.194  -8.151   4.452
  651   1HZ   LYS  86           HZ1      LYS  86  78.176  -7.656   6.874
  652   2HZ   LYS  86           HZ3      LYS  86  78.739  -9.228   7.165
  653   3HZ   LYS  86           HZ2      LYS  86  79.697  -8.134   6.287
  654    H    ASP  87           HN       ASP  87  73.987 -12.130   1.700
  655    HA   ASP  87           HA       ASP  87  75.720 -14.341   2.212
  656   1HB   ASP  87           HB2      ASP  87  73.397 -14.057   0.276
  657   2HB   ASP  87           HB1      ASP  87  74.010 -15.574   0.936
  658    H    ASP  88           HN       ASP  88  76.849 -15.696   0.657
  659    HA   ASP  88           HA       ASP  88  77.302 -14.571  -2.056
  660   1HB   ASP  88           HB2      ASP  88  78.891 -13.554  -0.349
  661   2HB   ASP  88           HB1      ASP  88  79.559 -15.171  -0.124
  662    H    SER  89           HN       SER  89  75.997 -16.752  -2.172
  663    HA   SER  89           HA       SER  89  77.863 -18.843  -2.997
  664   1HB   SER  89           HB2      SER  89  76.889 -18.721  -0.299
  665   2HB   SER  89           HB1      SER  89  76.188 -20.134  -1.082
  666    HG   SER  89           HG       SER  89  78.285 -20.488  -0.122
   
  No H/Q in entry =         666
  Start of MODEL   17
    1   1H    MET   1           HT1      MET   1  78.314  -0.848  17.719
    2   2H    MET   1           HT3      MET   1  78.016  -0.218  19.265
    3   3H    MET   1           HT2      MET   1  77.453  -1.769  18.859
    4    HA   MET   1           HA       MET   1  75.539  -0.477  18.675
    5   1HB   MET   1           HB2      MET   1  77.628   1.502  17.881
    6   2HB   MET   1           HB1      MET   1  76.001   1.757  17.247
    7   1HG   MET   1           HG2      MET   1  75.071   1.728  19.498
    8   2HG   MET   1           HG1      MET   1  76.650   1.335  20.178
    9   1HE   MET   1           HE2      MET   1  74.427   3.386  20.571
   10   2HE   MET   1           HE1      MET   1  75.081   5.011  20.763
   11   3HE   MET   1           HE3      MET   1  74.334   4.528  19.233
   12    H    ASP   2           HN       ASP   2  76.988  -2.421  16.895
   13    HA   ASP   2           HA       ASP   2  76.772  -3.321  14.716
   14   1HB   ASP   2           HB2      ASP   2  74.222  -1.936  15.448
   15   2HB   ASP   2           HB1      ASP   2  74.385  -2.548  13.802
   16    H    ASP   3           HN       ASP   3  78.484  -2.098  13.703
   17    HA   ASP   3           HA       ASP   3  77.494   0.121  11.948
   18   1HB   ASP   3           HB2      ASP   3  79.447   0.130  14.101
   19   2HB   ASP   3           HB1      ASP   3  80.186   0.632  12.580
   20    H    ILE   4           HN       ILE   4  78.493  -2.922  11.866
   21    HA   ILE   4           HA       ILE   4  80.751  -2.813  10.017
   22    HB   ILE   4           HB       ILE   4  80.396  -5.238   9.972
   23   1HG1  ILE   4          HG12      ILE   4  77.923  -4.885  11.652
   24   2HG1  ILE   4          HG11      ILE   4  77.807  -4.841   9.893
   25   1HG2  ILE   4          HG23      ILE   4  80.423  -3.670  12.463
   26   2HG2  ILE   4          HG22      ILE   4  79.886  -5.336  12.678
   27   3HG2  ILE   4          HG21      ILE   4  81.463  -5.003  11.963
   28   1HD1  ILE   4          HD13      ILE   4  79.100  -7.044   9.888
   29   2HD1  ILE   4          HD12      ILE   4  78.808  -7.106  11.627
   30   3HD1  ILE   4          HD11      ILE   4  77.449  -7.121  10.503
   31    H    TYR   5           HN       TYR   5  77.283  -2.679   9.734
   32    HA   TYR   5           HA       TYR   5  77.065  -3.642   7.011
   33   1HB   TYR   5           HB2      TYR   5  75.363  -1.935   8.846
   34   2HB   TYR   5           HB1      TYR   5  74.831  -2.413   7.233
   35    HD1  TYR   5           HD2      TYR   5  75.965  -3.738  10.526
   36    HD2  TYR   5           HD1      TYR   5  73.999  -4.596   6.804
   37    HE1  TYR   5           HE2      TYR   5  75.259  -5.946  11.407
   38    HE2  TYR   5           HE1      TYR   5  73.293  -6.803   7.686
   39    HH   TYR   5           HH       TYR   5  72.884  -7.803  10.025
   40    H    LYS   6           HN       LYS   6  77.152  -0.356   8.436
   41    HA   LYS   6           HA       LYS   6  76.921   1.194   6.114
   42   1HB   LYS   6           HB2      LYS   6  78.698   1.566   8.547
   43   2HB   LYS   6           HB1      LYS   6  78.237   2.853   7.432
   44   1HG   LYS   6           HG2      LYS   6  75.791   2.054   7.951
   45   2HG   LYS   6           HG1      LYS   6  76.526   1.347   9.391
   46   1HD   LYS   6           HD2      LYS   6  75.688   3.653   9.806
   47   2HD   LYS   6           HD1      LYS   6  77.432   3.528  10.036
   48   1HE   LYS   6           HE2      LYS   6  77.901   4.632   7.991
   49   2HE   LYS   6           HE1      LYS   6  76.257   4.370   7.378
   50   1HZ   LYS   6           HZ2      LYS   6  76.841   5.919   9.839
   51   2HZ   LYS   6           HZ1      LYS   6  76.685   6.645   8.311
   52   3HZ   LYS   6           HZ3      LYS   6  75.368   5.825   8.997
   53    H    ALA   7           HN       ALA   7  79.930  -0.143   7.528
   54    HA   ALA   7           HA       ALA   7  81.678   0.816   5.461
   55   1HB   ALA   7           HB3      ALA   7  82.329   0.054   7.742
   56   2HB   ALA   7           HB2      ALA   7  81.898  -1.596   7.293
   57   3HB   ALA   7           HB1      ALA   7  83.240  -0.785   6.487
   58    H    ALA   8           HN       ALA   8  79.446  -1.841   5.601
   59    HA   ALA   8           HA       ALA   8  80.688  -3.531   3.603
   60   1HB   ALA   8           HB1      ALA   8  78.424  -3.485   5.340
   61   2HB   ALA   8           HB3      ALA   8  77.829  -3.789   3.708
   62   3HB   ALA   8           HB2      ALA   8  79.045  -4.852   4.416
   63    H    VAL   9           HN       VAL   9  78.037  -1.123   3.479
   64    HA   VAL   9           HA       VAL   9  77.350  -1.320   0.757
   65    HB   VAL   9           HB       VAL   9  77.562   1.090   2.592
   66   1HG1  VAL   9          HG11      VAL   9  76.098   0.677  -0.029
   67   2HG1  VAL   9          HG13      VAL   9  75.756   2.004   1.081
   68   3HG1  VAL   9          HG12      VAL   9  77.342   1.878   0.321
   69   1HG2  VAL   9          HG22      VAL   9  75.668  -1.166   2.285
   70   2HG2  VAL   9          HG21      VAL   9  75.987  -0.148   3.689
   71   3HG2  VAL   9          HG23      VAL   9  74.921   0.427   2.407
   72    H    GLU  10           HN       GLU  10  80.241  -0.029   2.224
   73    HA   GLU  10           HA       GLU  10  81.083   1.539  -0.095
   74   1HB   GLU  10           HB2      GLU  10  81.852   2.248   2.029
   75   2HB   GLU  10           HB1      GLU  10  82.267   0.605   2.520
   76   1HG   GLU  10           HG2      GLU  10  84.325   1.764   2.019
   77   2HG   GLU  10           HG1      GLU  10  84.035   0.599   0.726
   78    H    GLN  11           HN       GLN  11  81.210  -1.783   0.846
   79    HA   GLN  11           HA       GLN  11  83.603  -2.560  -0.588
   80   1HB   GLN  11           HB2      GLN  11  81.145  -4.180   0.150
   81   2HB   GLN  11           HB1      GLN  11  82.775  -4.798  -0.121
   82   1HG   GLN  11           HG2      GLN  11  81.824  -3.026   2.140
   83   2HG   GLN  11           HG1      GLN  11  82.505  -4.649   2.254
   84   1HE2  GLN  11          HE22      GLN  11  85.068  -1.772   2.753
   85   2HE2  GLN  11          HE21      GLN  11  83.443  -1.825   3.241
   86    H    LEU  12           HN       LEU  12  80.366  -1.800  -1.568
   87    HA   LEU  12           HA       LEU  12  80.227  -3.415  -3.956
   88   1HB   LEU  12           HB2      LEU  12  78.927  -0.754  -3.294
   89   2HB   LEU  12           HB1      LEU  12  78.345  -1.938  -4.464
   90    HG   LEU  12           HG       LEU  12  78.577  -2.338  -1.467
   91   1HD1  LEU  12          HD12      LEU  12  76.451  -1.460  -3.273
   92   2HD1  LEU  12          HD11      LEU  12  75.983  -2.867  -2.316
   93   3HD1  LEU  12          HD13      LEU  12  76.523  -1.393  -1.512
   94   1HD2  LEU  12          HD22      LEU  12  78.293  -4.209  -3.745
   95   2HD2  LEU  12          HD21      LEU  12  78.878  -4.510  -2.109
   96   3HD2  LEU  12          HD23      LEU  12  77.145  -4.454  -2.428
   97    H    THR  13           HN       THR  13  80.649  -2.761  -6.140
   98    HA   THR  13           HA       THR  13  82.962  -1.083  -6.536
   99    HB   THR  13           HB       THR  13  82.056  -1.427  -9.003
  100    HG1  THR  13           HG1      THR  13  80.136  -2.258  -8.923
  101   1HG2  THR  13          HG21      THR  13  83.949  -2.634  -7.821
  102   2HG2  THR  13          HG23      THR  13  82.767  -3.852  -7.340
  103   3HG2  THR  13          HG22      THR  13  83.110  -3.583  -9.048
  104    H    GLU  14           HN       GLU  14  83.067   1.056  -7.296
  105    HA   GLU  14           HA       GLU  14  81.178   2.978  -6.652
  106   1HB   GLU  14           HB2      GLU  14  83.592   2.775  -8.088
  107   2HB   GLU  14           HB1      GLU  14  82.474   3.596  -9.177
  108   1HG   GLU  14           HG2      GLU  14  82.529   5.485  -7.947
  109   2HG   GLU  14           HG1      GLU  14  82.233   4.595  -6.454
  110    H    GLU  15           HN       GLU  15  81.406   1.190  -9.735
  111    HA   GLU  15           HA       GLU  15  79.246   2.505 -11.073
  112   1HB   GLU  15           HB2      GLU  15  79.410   0.581 -12.572
  113   2HB   GLU  15           HB1      GLU  15  81.033   1.045 -12.059
  114   1HG   GLU  15           HG2      GLU  15  81.232  -1.169 -11.550
  115   2HG   GLU  15           HG1      GLU  15  80.371  -0.703 -10.082
  116    H    GLN  16           HN       GLN  16  79.222   0.401  -8.385
  117    HA   GLN  16           HA       GLN  16  76.620  -0.843  -8.923
  118   1HB   GLN  16           HB2      GLN  16  78.554  -1.805  -7.589
  119   2HB   GLN  16           HB1      GLN  16  78.183  -0.620  -6.335
  120   1HG   GLN  16           HG2      GLN  16  77.014  -2.591  -5.691
  121   2HG   GLN  16           HG1      GLN  16  75.788  -1.538  -6.397
  122   1HE2  GLN  16          HE22      GLN  16  74.927  -4.392  -8.341
  123   2HE2  GLN  16          HE21      GLN  16  74.462  -3.396  -7.047
  124    H    LYS  17           HN       LYS  17  77.646   1.168  -6.142
  125    HA   LYS  17           HA       LYS  17  75.066   1.995  -5.358
  126   1HB   LYS  17           HB2      LYS  17  76.385   3.908  -4.315
  127   2HB   LYS  17           HB1      LYS  17  76.998   2.295  -3.953
  128   1HG   LYS  17           HG2      LYS  17  78.274   2.983  -6.338
  129   2HG   LYS  17           HG1      LYS  17  78.286   4.475  -5.397
  130   1HD   LYS  17           HD2      LYS  17  79.042   1.874  -4.090
  131   2HD   LYS  17           HD1      LYS  17  80.227   2.751  -5.059
  132   1HE   LYS  17           HE2      LYS  17  79.731   4.804  -3.661
  133   2HE   LYS  17           HE1      LYS  17  78.763   3.763  -2.600
  134   1HZ   LYS  17           HZ1      LYS  17  80.788   2.248  -2.602
  135   2HZ   LYS  17           HZ3      LYS  17  81.652   3.572  -3.217
  136   3HZ   LYS  17           HZ2      LYS  17  80.905   3.679  -1.695
  137    H    ASN  18           HN       ASN  18  77.151   3.224  -7.916
  138    HA   ASN  18           HA       ASN  18  75.869   5.745  -8.367
  139   1HB   ASN  18           HB2      ASN  18  77.742   3.900  -9.676
  140   2HB   ASN  18           HB1      ASN  18  76.785   4.839 -10.822
  141   1HD2  ASN  18          HD22      ASN  18  79.835   6.809  -9.768
  142   2HD2  ASN  18          HD21      ASN  18  79.633   5.250 -10.408
  143    H    GLU  19           HN       GLU  19  75.271   2.505  -9.756
  144    HA   GLU  19           HA       GLU  19  73.255   3.181 -11.618
  145   1HB   GLU  19           HB2      GLU  19  74.184   0.994 -11.611
  146   2HB   GLU  19           HB1      GLU  19  73.847   0.771  -9.894
  147   1HG   GLU  19           HG2      GLU  19  71.543   0.464 -10.259
  148   2HG   GLU  19           HG1      GLU  19  71.602   1.218 -11.851
  149    H    PHE  20           HN       PHE  20  72.961   2.388  -8.145
  150    HA   PHE  20           HA       PHE  20  70.107   2.534  -7.995
  151   1HB   PHE  20           HB2      PHE  20  72.354   2.989  -6.012
  152   2HB   PHE  20           HB1      PHE  20  70.655   2.916  -5.540
  153    HD1  PHE  20           HD1      PHE  20  69.624   0.834  -7.377
  154    HD2  PHE  20           HD2      PHE  20  73.287   0.999  -5.139
  155    HE1  PHE  20           HE1      PHE  20  69.730  -1.644  -7.369
  156    HE2  PHE  20           HE2      PHE  20  73.393  -1.479  -5.130
  157    HZ   PHE  20           HZ       PHE  20  71.615  -2.799  -6.244
  158    H    LYS  21           HN       LYS  21  72.640   5.011  -7.749
  159    HA   LYS  21           HA       LYS  21  71.293   7.200  -6.697
  160   1HB   LYS  21           HB2      LYS  21  73.673   6.899  -7.703
  161   2HB   LYS  21           HB1      LYS  21  72.930   7.381  -9.228
  162   1HG   LYS  21           HG2      LYS  21  71.983   9.393  -7.906
  163   2HG   LYS  21           HG1      LYS  21  73.182   8.977  -6.681
  164   1HD   LYS  21           HD2      LYS  21  74.649  10.205  -7.883
  165   2HD   LYS  21           HD1      LYS  21  74.622   8.893  -9.061
  166   1HE   LYS  21           HE2      LYS  21  73.327  10.078 -10.538
  167   2HE   LYS  21           HE1      LYS  21  72.373  10.832  -9.245
  168   1HZ   LYS  21           HZ3      LYS  21  75.198  11.505  -9.304
  169   2HZ   LYS  21           HZ2      LYS  21  74.275  12.126 -10.588
  170   3HZ   LYS  21           HZ1      LYS  21  73.856  12.493  -8.983
  171    H    ALA  22           HN       ALA  22  71.066   5.940 -10.026
  172    HA   ALA  22           HA       ALA  22  69.269   7.977 -10.998
  173   1HB   ALA  22           HB1      ALA  22  70.561   5.530 -11.860
  174   2HB   ALA  22           HB3      ALA  22  68.887   5.563 -12.413
  175   3HB   ALA  22           HB2      ALA  22  69.983   6.877 -12.841
  176    H    ALA  23           HN       ALA  23  68.720   4.628  -9.851
  177    HA   ALA  23           HA       ALA  23  65.870   4.657 -10.075
  178   1HB   ALA  23           HB1      ALA  23  67.811   3.176  -8.273
  179   2HB   ALA  23           HB3      ALA  23  66.104   2.761  -8.417
  180   3HB   ALA  23           HB2      ALA  23  67.166   2.619  -9.817
  181    H    PHE  24           HN       PHE  24  68.024   5.409  -7.320
  182    HA   PHE  24           HA       PHE  24  66.244   5.862  -5.253
  183   1HB   PHE  24           HB2      PHE  24  68.579   6.177  -4.921
  184   2HB   PHE  24           HB1      PHE  24  68.683   7.362  -6.222
  185    HD1  PHE  24           HD2      PHE  24  67.482   9.596  -5.939
  186    HD2  PHE  24           HD1      PHE  24  68.105   6.846  -2.700
  187    HE1  PHE  24           HE2      PHE  24  67.075  11.422  -4.311
  188    HE2  PHE  24           HE1      PHE  24  67.699   8.671  -1.071
  189    HZ   PHE  24           HZ       PHE  24  67.184  10.960  -1.877
  190    H    ASP  25           HN       ASP  25  67.016   8.165  -7.882
  191    HA   ASP  25           HA       ASP  25  65.212  10.227  -6.995
  192   1HB   ASP  25           HB2      ASP  25  66.917   9.545  -9.299
  193   2HB   ASP  25           HB1      ASP  25  65.509  10.519  -9.725
  194    H    ILE  26           HN       ILE  26  64.732   7.234  -8.711
  195    HA   ILE  26           HA       ILE  26  62.280   7.919 -10.073
  196    HB   ILE  26           HB       ILE  26  63.370   5.260  -9.094
  197   1HG1  ILE  26          HG12      ILE  26  64.949   6.633 -10.501
  198   2HG1  ILE  26          HG11      ILE  26  64.470   5.111 -11.253
  199   1HG2  ILE  26          HG23      ILE  26  60.941   5.952 -10.396
  200   2HG2  ILE  26          HG22      ILE  26  61.969   5.171 -11.597
  201   3HG2  ILE  26          HG21      ILE  26  61.581   4.338 -10.093
  202   1HD1  ILE  26          HD12      ILE  26  63.095   7.755 -11.796
  203   2HD1  ILE  26          HD11      ILE  26  64.379   7.094 -12.808
  204   3HD1  ILE  26          HD13      ILE  26  62.849   6.232 -12.650
  205    H    PHE  27           HN       PHE  27  63.022   6.537  -6.868
  206    HA   PHE  27           HA       PHE  27  60.242   6.024  -6.183
  207   1HB   PHE  27           HB2      PHE  27  62.566   6.454  -4.296
  208   2HB   PHE  27           HB1      PHE  27  61.185   5.376  -4.091
  209    HD1  PHE  27           HD1      PHE  27  60.940   3.847  -6.461
  210    HD2  PHE  27           HD2      PHE  27  64.544   5.253  -4.594
  211    HE1  PHE  27           HE1      PHE  27  62.215   2.014  -7.541
  212    HE2  PHE  27           HE2      PHE  27  65.818   3.420  -5.674
  213    HZ   PHE  27           HZ       PHE  27  64.654   1.801  -7.148
  214    H    VAL  28           HN       VAL  28  62.572   8.637  -5.531
  215    HA   VAL  28           HA       VAL  28  60.544  10.190  -4.041
  216    HB   VAL  28           HB       VAL  28  62.475  11.601  -3.565
  217   1HG1  VAL  28          HG13      VAL  28  62.222   9.372  -2.404
  218   2HG1  VAL  28          HG12      VAL  28  63.379   8.713  -3.560
  219   3HG1  VAL  28          HG11      VAL  28  63.875   9.985  -2.444
  220   1HG2  VAL  28          HG23      VAL  28  63.539  10.190  -5.957
  221   2HG2  VAL  28          HG22      VAL  28  63.788  11.855  -5.433
  222   3HG2  VAL  28          HG21      VAL  28  64.696  10.547  -4.674
  223    H    LEU  29           HN       LEU  29  60.118   9.706  -6.931
  224    HA   LEU  29           HA       LEU  29  60.901  11.737  -8.680
  225   1HB   LEU  29           HB2      LEU  29  58.475  10.040  -8.271
  226   2HB   LEU  29           HB1      LEU  29  58.359  11.354  -9.444
  227    HG   LEU  29           HG       LEU  29  60.491   9.197  -9.426
  228   1HD1  LEU  29          HD13      LEU  29  58.054   8.629 -10.123
  229   2HD1  LEU  29          HD12      LEU  29  58.379   9.638 -11.532
  230   3HD1  LEU  29          HD11      LEU  29  59.354   8.199 -11.234
  231   1HD2  LEU  29          HD22      LEU  29  60.099  11.740 -10.926
  232   2HD2  LEU  29          HD21      LEU  29  61.594  10.914 -10.487
  233   3HD2  LEU  29          HD23      LEU  29  60.643  10.347 -11.860
  234    H    GLY  30           HN       GLY  30  57.796  11.843  -6.882
  235   1HA   GLY  30           HA2      GLY  30  58.059  14.823  -6.867
  236   2HA   GLY  30           HA1      GLY  30  56.513  13.971  -6.885
  237    H    ALA  31           HN       ALA  31  59.285  13.061  -4.893
  238    HA   ALA  31           HA       ALA  31  57.723  12.857  -2.495
  239   1HB   ALA  31           HB1      ALA  31  60.185  12.065  -3.405
  240   2HB   ALA  31           HB3      ALA  31  60.631  13.327  -2.257
  241   3HB   ALA  31           HB2      ALA  31  59.670  11.948  -1.724
  242    H    GLU  32           HN       GLU  32  58.571  14.138  -0.443
  243    HA   GLU  32           HA       GLU  32  58.450  17.048  -1.132
  244   1HB   GLU  32           HB2      GLU  32  57.449  17.270   1.081
  245   2HB   GLU  32           HB1      GLU  32  56.632  15.962   0.224
  246   1HG   GLU  32           HG2      GLU  32  57.186  14.538   1.872
  247   2HG   GLU  32           HG1      GLU  32  58.895  14.846   1.557
  248    H    ASP  33           HN       ASP  33  60.529  14.620   0.111
  249    HA   ASP  33           HA       ASP  33  62.458  16.724   0.994
  250   1HB   ASP  33           HB2      ASP  33  62.943  15.304   2.987
  251   2HB   ASP  33           HB1      ASP  33  61.272  15.869   2.968
  252    H    GLY  34           HN       GLY  34  62.128  14.794  -1.364
  253   1HA   GLY  34           HA2      GLY  34  63.467  13.321  -2.616
  254   2HA   GLY  34           HA1      GLY  34  64.808  14.213  -1.896
  255    H    CYS  35           HN       CYS  35  62.395  12.037  -0.406
  256    HA   CYS  35           HA       CYS  35  64.671  10.286   0.468
  257   1HB   CYS  35           HB2      CYS  35  62.296  11.386   1.995
  258   2HB   CYS  35           HB1      CYS  35  63.305  10.076   2.610
  259    HG   CYS  35           HG       CYS  35  64.518  12.110   3.520
  260    H    ILE  36           HN       ILE  36  64.131   8.037   0.640
  261    HA   ILE  36           HA       ILE  36  61.643   7.267  -0.832
  262    HB   ILE  36           HB       ILE  36  63.798   5.299  -0.214
  263   1HG1  ILE  36          HG12      ILE  36  64.192   7.620  -2.135
  264   2HG1  ILE  36          HG11      ILE  36  65.169   7.260  -0.712
  265   1HG2  ILE  36          HG21      ILE  36  61.707   5.780  -2.187
  266   2HG2  ILE  36          HG23      ILE  36  63.250   5.390  -2.951
  267   3HG2  ILE  36          HG22      ILE  36  62.538   4.278  -1.780
  268   1HD1  ILE  36          HD13      ILE  36  64.996   4.925  -2.404
  269   2HD1  ILE  36          HD12      ILE  36  65.576   6.306  -3.336
  270   3HD1  ILE  36          HD11      ILE  36  66.430   5.804  -1.877
  271    H    SER  37           HN       SER  37  60.232   7.389   1.052
  272    HA   SER  37           HA       SER  37  60.761   6.101   3.556
  273   1HB   SER  37           HB2      SER  37  58.872   7.275   3.942
  274   2HB   SER  37           HB1      SER  37  58.699   7.566   2.215
  275    HG   SER  37           HG       SER  37  57.650   5.528   2.078
  276    H    THR  38           HN       THR  38  59.108   4.253   4.270
  277    HA   THR  38           HA       THR  38  59.789   1.873   2.773
  278    HB   THR  38           HB       THR  38  58.623   0.773   4.548
  279    HG1  THR  38           HG1      THR  38  57.425   3.075   5.518
  280   1HG2  THR  38          HG22      THR  38  60.398   2.928   5.068
  281   2HG2  THR  38          HG21      THR  38  59.162   2.957   6.327
  282   3HG2  THR  38          HG23      THR  38  60.113   1.496   6.059
  283    H    LYS  39           HN       LYS  39  56.816   3.806   3.113
  284    HA   LYS  39           HA       LYS  39  54.975   2.166   1.759
  285   1HB   LYS  39           HB2      LYS  39  55.192   4.798   2.730
  286   2HB   LYS  39           HB1      LYS  39  54.741   4.972   1.034
  287   1HG   LYS  39           HG2      LYS  39  52.660   4.765   2.107
  288   2HG   LYS  39           HG1      LYS  39  52.982   3.121   1.553
  289   1HD   LYS  39           HD2      LYS  39  54.230   3.101   3.982
  290   2HD   LYS  39           HD1      LYS  39  52.885   4.195   4.305
  291   1HE   LYS  39           HE2      LYS  39  52.525   1.487   2.980
  292   2HE   LYS  39           HE1      LYS  39  52.344   1.754   4.726
  293   1HZ   LYS  39           HZ3      LYS  39  50.929   3.784   3.813
  294   2HZ   LYS  39           HZ2      LYS  39  50.685   2.707   2.522
  295   3HZ   LYS  39           HZ1      LYS  39  50.239   2.262   4.100
  296    H    GLU  40           HN       GLU  40  57.640   4.064   0.483
  297    HA   GLU  40           HA       GLU  40  56.765   3.458  -2.314
  298   1HB   GLU  40           HB2      GLU  40  58.622   5.474  -1.030
  299   2HB   GLU  40           HB1      GLU  40  58.577   5.223  -2.775
  300   1HG   GLU  40           HG2      GLU  40  56.517   6.195  -3.000
  301   2HG   GLU  40           HG1      GLU  40  55.948   5.591  -1.443
  302    H    LEU  41           HN       LEU  41  57.995   1.427  -0.566
  303    HA   LEU  41           HA       LEU  41  60.561   1.014  -2.065
  304   1HB   LEU  41           HB2      LEU  41  59.961   1.197   0.754
  305   2HB   LEU  41           HB1      LEU  41  60.602  -0.405   0.385
  306    HG   LEU  41           HG       LEU  41  61.882   2.255  -0.309
  307   1HD1  LEU  41          HD11      LEU  41  62.364   0.117   1.739
  308   2HD1  LEU  41          HD13      LEU  41  63.740   1.017   1.100
  309   3HD1  LEU  41          HD12      LEU  41  62.432   1.870   1.919
  310   1HD2  LEU  41          HD22      LEU  41  62.506  -0.590  -1.103
  311   2HD2  LEU  41          HD21      LEU  41  62.424   0.845  -2.126
  312   3HD2  LEU  41          HD23      LEU  41  63.780   0.626  -1.021
  313    H    GLY  42           HN       GLY  42  57.923  -0.655  -0.298
  314   1HA   GLY  42           HA2      GLY  42  58.411  -3.296  -0.986
  315   2HA   GLY  42           HA1      GLY  42  56.777  -2.631  -0.908
  316    H    LYS  43           HN       LYS  43  56.366  -1.120  -2.978
  317    HA   LYS  43           HA       LYS  43  56.286  -2.841  -5.257
  318   1HB   LYS  43           HB2      LYS  43  55.531  -0.145  -4.454
  319   2HB   LYS  43           HB1      LYS  43  56.072  -0.183  -6.132
  320   1HG   LYS  43           HG2      LYS  43  54.540  -2.353  -6.218
  321   2HG   LYS  43           HG1      LYS  43  53.740  -1.561  -4.860
  322   1HD   LYS  43           HD2      LYS  43  54.348   0.017  -7.343
  323   2HD   LYS  43           HD1      LYS  43  52.938  -1.042  -7.307
  324   1HE   LYS  43           HE2      LYS  43  52.000   0.930  -6.481
  325   2HE   LYS  43           HE1      LYS  43  52.532   0.181  -4.962
  326   1HZ   LYS  43           HZ3      LYS  43  54.364   1.851  -6.568
  327   2HZ   LYS  43           HZ2      LYS  43  53.308   2.558  -5.441
  328   3HZ   LYS  43           HZ1      LYS  43  54.475   1.436  -4.928
  329    H    VAL  44           HN       VAL  44  58.678  -0.529  -4.131
  330    HA   VAL  44           HA       VAL  44  60.119  -0.247  -6.627
  331    HB   VAL  44           HB       VAL  44  60.781   0.156  -3.697
  332   1HG1  VAL  44          HG11      VAL  44  62.463   0.508  -6.165
  333   2HG1  VAL  44          HG13      VAL  44  62.687   1.585  -4.787
  334   3HG1  VAL  44          HG12      VAL  44  62.921  -0.153  -4.596
  335   1HG2  VAL  44          HG21      VAL  44  60.102   2.003  -6.005
  336   2HG2  VAL  44          HG23      VAL  44  59.138   1.713  -4.557
  337   3HG2  VAL  44          HG22      VAL  44  60.675   2.569  -4.435
  338    H    MET  45           HN       MET  45  60.671  -2.240  -3.702
  339    HA   MET  45           HA       MET  45  63.013  -3.574  -4.383
  340   1HB   MET  45           HB2      MET  45  60.466  -4.345  -2.977
  341   2HB   MET  45           HB1      MET  45  61.750  -5.540  -3.170
  342   1HG   MET  45           HG2      MET  45  62.564  -2.849  -2.189
  343   2HG   MET  45           HG1      MET  45  61.655  -3.864  -1.068
  344   1HE   MET  45           HE1      MET  45  64.893  -2.875  -2.429
  345   2HE   MET  45           HE3      MET  45  64.664  -2.810  -0.676
  346   3HE   MET  45           HE2      MET  45  65.936  -3.816  -1.365
  347    H    ARG  46           HN       ARG  46  59.755  -4.124  -5.668
  348    HA   ARG  46           HA       ARG  46  60.341  -6.571  -7.078
  349   1HB   ARG  46           HB2      ARG  46  58.312  -4.417  -7.743
  350   2HB   ARG  46           HB1      ARG  46  58.194  -6.138  -8.107
  351   1HG   ARG  46           HG2      ARG  46  58.537  -6.281  -5.435
  352   2HG   ARG  46           HG1      ARG  46  57.743  -4.709  -5.539
  353   1HD   ARG  46           HD2      ARG  46  55.751  -5.742  -5.828
  354   2HD   ARG  46           HD1      ARG  46  56.374  -6.531  -7.291
  355    HE   ARG  46           HE       ARG  46  56.867  -8.460  -5.995
  356   1HH1  ARG  46          HH11      ARG  46  56.448  -5.677  -4.010
  357   2HH1  ARG  46          HH12      ARG  46  56.263  -6.583  -2.546
  358   1HH2  ARG  46          HH21      ARG  46  56.504  -9.669  -4.112
  359   2HH2  ARG  46          HH22      ARG  46  56.293  -8.843  -2.603
  360    H    MET  47           HN       MET  47  60.838  -3.171  -7.806
  361    HA   MET  47           HA       MET  47  61.279  -3.544 -10.666
  362   1HB   MET  47           HB2      MET  47  61.380  -1.406  -8.613
  363   2HB   MET  47           HB1      MET  47  62.433  -1.164 -10.008
  364   1HG   MET  47           HG2      MET  47  59.750  -2.110 -10.732
  365   2HG   MET  47           HG1      MET  47  59.744  -0.541  -9.924
  366   1HE   MET  47           HE1      MET  47  60.632   1.488 -10.637
  367   2HE   MET  47           HE3      MET  47  62.323   0.971 -10.690
  368   3HE   MET  47           HE2      MET  47  61.620   1.838 -12.054
  369    H    LEU  48           HN       LEU  48  63.459  -2.845  -7.897
  370    HA   LEU  48           HA       LEU  48  65.902  -3.050  -9.357
  371   1HB   LEU  48           HB2      LEU  48  65.281  -3.658  -6.446
  372   2HB   LEU  48           HB1      LEU  48  66.872  -3.262  -7.099
  373    HG   LEU  48           HG       LEU  48  64.436  -1.471  -6.969
  374   1HD1  LEU  48          HD12      LEU  48  66.403  -1.881  -5.131
  375   2HD1  LEU  48          HD11      LEU  48  67.127  -0.592  -6.094
  376   3HD1  LEU  48          HD13      LEU  48  65.557  -0.346  -5.327
  377   1HD2  LEU  48          HD23      LEU  48  67.037  -1.151  -8.492
  378   2HD2  LEU  48          HD22      LEU  48  65.400  -1.110  -9.146
  379   3HD2  LEU  48          HD21      LEU  48  65.971   0.201  -8.113
  380    H    GLY  49           HN       GLY  49  63.747  -5.498  -8.082
  381   1HA   GLY  49           HA2      GLY  49  64.048  -7.726  -9.271
  382   2HA   GLY  49           HA1      GLY  49  65.752  -7.586  -8.840
  383    H    GLN  50           HN       GLN  50  64.041  -6.291  -6.310
  384    HA   GLN  50           HA       GLN  50  64.455  -8.735  -4.697
  385   1HB   GLN  50           HB2      GLN  50  63.795  -5.836  -4.173
  386   2HB   GLN  50           HB1      GLN  50  63.735  -7.034  -2.881
  387   1HG   GLN  50           HG2      GLN  50  66.178  -7.223  -4.488
  388   2HG   GLN  50           HG1      GLN  50  66.003  -5.661  -3.687
  389   1HE2  GLN  50          HE22      GLN  50  67.645  -7.788  -1.171
  390   2HE2  GLN  50          HE21      GLN  50  68.049  -7.017  -2.628
  391    H    ASN  51           HN       ASN  51  62.672  -9.291  -3.093
  392    HA   ASN  51           HA       ASN  51  59.917  -8.656  -3.988
  393   1HB   ASN  51           HB2      ASN  51  61.099 -11.454  -3.934
  394   2HB   ASN  51           HB1      ASN  51  59.419 -11.059  -4.305
  395   1HD2  ASN  51          HD22      ASN  51  62.325 -10.344  -7.105
  396   2HD2  ASN  51          HD21      ASN  51  62.764 -10.680  -5.500
  397    HA   PRO  52           HA       PRO  52  60.681  -9.559   0.563
  398   1HB   PRO  52           HB2      PRO  52  60.300  -7.019   1.510
  399   2HB   PRO  52           HB1      PRO  52  61.888  -7.641   1.018
  400   1HG   PRO  52           HG2      PRO  52  60.020  -5.853  -0.444
  401   2HG   PRO  52           HG1      PRO  52  61.789  -5.838  -0.389
  402   1HD   PRO  52           HD2      PRO  52  60.326  -6.848  -2.476
  403   2HD   PRO  52           HD1      PRO  52  61.982  -7.357  -2.079
  404    H    THR  53           HN       THR  53  59.013  -8.890   2.377
  405    HA   THR  53           HA       THR  53  56.280  -8.889   1.142
  406    HB   THR  53           HB       THR  53  55.660 -10.273   2.996
  407    HG1  THR  53           HG1      THR  53  57.227 -10.582   4.711
  408   1HG2  THR  53          HG21      THR  53  57.092 -11.392   1.303
  409   2HG2  THR  53          HG23      THR  53  58.510 -11.011   2.281
  410   3HG2  THR  53          HG22      THR  53  57.275 -12.103   2.907
  411    HA   PRO  54           HA       PRO  54  55.247  -5.179   3.255
  412   1HB   PRO  54           HB2      PRO  54  52.803  -5.710   4.379
  413   2HB   PRO  54           HB1      PRO  54  53.037  -5.460   2.636
  414   1HG   PRO  54           HG2      PRO  54  52.775  -8.009   4.162
  415   2HG   PRO  54           HG1      PRO  54  52.083  -7.557   2.594
  416   1HD   PRO  54           HD2      PRO  54  54.268  -9.132   2.822
  417   2HD   PRO  54           HD1      PRO  54  54.023  -8.030   1.450
  418    H    GLU  55           HN       GLU  55  55.200  -8.150   5.109
  419    HA   GLU  55           HA       GLU  55  55.174  -6.793   7.718
  420   1HB   GLU  55           HB2      GLU  55  55.353  -9.592   6.640
  421   2HB   GLU  55           HB1      GLU  55  55.780  -9.294   8.325
  422   1HG   GLU  55           HG2      GLU  55  53.309  -7.937   7.563
  423   2HG   GLU  55           HG1      GLU  55  53.204  -9.684   7.340
  424    H    GLU  56           HN       GLU  56  57.539  -8.209   5.503
  425    HA   GLU  56           HA       GLU  56  59.754  -7.877   7.432
  426   1HB   GLU  56           HB2      GLU  56  59.170  -9.255   4.910
  427   2HB   GLU  56           HB1      GLU  56  60.778  -8.533   4.933
  428   1HG   GLU  56           HG2      GLU  56  61.444 -10.335   6.116
  429   2HG   GLU  56           HG1      GLU  56  60.520  -9.672   7.465
  430    H    LEU  57           HN       LEU  57  58.699  -6.484   4.310
  431    HA   LEU  57           HA       LEU  57  60.758  -4.773   3.651
  432   1HB   LEU  57           HB2      LEU  57  58.726  -4.910   2.364
  433   2HB   LEU  57           HB1      LEU  57  57.763  -4.315   3.716
  434    HG   LEU  57           HG       LEU  57  59.183  -2.188   3.603
  435   1HD1  LEU  57          HD12      LEU  57  60.375  -3.781   1.480
  436   2HD1  LEU  57          HD11      LEU  57  59.808  -2.224   0.875
  437   3HD1  LEU  57          HD13      LEU  57  60.957  -2.287   2.212
  438   1HD2  LEU  57          HD21      LEU  57  56.856  -2.316   2.774
  439   2HD2  LEU  57          HD23      LEU  57  57.836  -1.270   1.746
  440   3HD2  LEU  57          HD22      LEU  57  57.444  -2.907   1.220
  441    H    GLN  58           HN       GLN  58  58.018  -3.440   5.520
  442    HA   GLN  58           HA       GLN  58  59.243  -1.148   6.508
  443   1HB   GLN  58           HB2      GLN  58  56.852  -2.306   6.781
  444   2HB   GLN  58           HB1      GLN  58  57.525  -2.776   8.343
  445   1HG   GLN  58           HG2      GLN  58  57.166   0.023   7.251
  446   2HG   GLN  58           HG1      GLN  58  56.435  -0.673   8.698
  447   1HE2  GLN  58          HE22      GLN  58  59.830   1.274   9.176
  448   2HE2  GLN  58          HE21      GLN  58  58.705   1.527   7.930
  449    H    GLU  59           HN       GLU  59  58.961  -4.158   8.451
  450    HA   GLU  59           HA       GLU  59  60.651  -3.558  10.559
  451   1HB   GLU  59           HB2      GLU  59  59.423  -5.648  10.354
  452   2HB   GLU  59           HB1      GLU  59  60.380  -6.115   8.947
  453   1HG   GLU  59           HG2      GLU  59  61.171  -7.253  11.002
  454   2HG   GLU  59           HG1      GLU  59  62.409  -6.191  10.329
  455    H    MET  60           HN       MET  60  61.652  -4.804   7.360
  456    HA   MET  60           HA       MET  60  64.459  -4.913   7.847
  457   1HB   MET  60           HB2      MET  60  62.579  -4.786   5.545
  458   2HB   MET  60           HB1      MET  60  64.256  -4.364   5.197
  459   1HG   MET  60           HG2      MET  60  64.491  -6.617   6.798
  460   2HG   MET  60           HG1      MET  60  63.086  -6.979   5.796
  461   1HE   MET  60           HE1      MET  60  65.263  -8.657   5.882
  462   2HE   MET  60           HE3      MET  60  64.561  -9.063   4.310
  463   3HE   MET  60           HE2      MET  60  66.295  -8.787   4.460
  464    H    ILE  61           HN       ILE  61  62.322  -2.251   6.938
  465    HA   ILE  61           HA       ILE  61  64.559  -0.383   6.486
  466    HB   ILE  61           HB       ILE  61  61.533  -0.184   6.525
  467   1HG1  ILE  61          HG12      ILE  61  63.123   0.396   4.097
  468   2HG1  ILE  61          HG11      ILE  61  63.190  -1.279   4.648
  469   1HG2  ILE  61          HG23      ILE  61  63.541   1.907   6.669
  470   2HG2  ILE  61          HG22      ILE  61  62.612   2.029   5.175
  471   3HG2  ILE  61          HG21      ILE  61  61.783   2.044   6.731
  472   1HD1  ILE  61          HD13      ILE  61  60.480  -0.216   4.778
  473   2HD1  ILE  61          HD12      ILE  61  61.140  -0.119   3.145
  474   3HD1  ILE  61          HD11      ILE  61  61.071  -1.672   3.978
  475    H    ASP  62           HN       ASP  62  62.572  -1.438   9.113
  476    HA   ASP  62           HA       ASP  62  62.926   1.019  10.709
  477   1HB   ASP  62           HB2      ASP  62  60.855  -0.251  10.842
  478   2HB   ASP  62           HB1      ASP  62  61.742  -1.725  11.231
  479    H    GLU  63           HN       GLU  63  64.990  -1.399   9.869
  480    HA   GLU  63           HA       GLU  63  66.254  -1.579  12.579
  481   1HB   GLU  63           HB2      GLU  63  66.325  -3.276  10.074
  482   2HB   GLU  63           HB1      GLU  63  67.437  -3.536  11.419
  483   1HG   GLU  63           HG2      GLU  63  65.165  -3.466  12.821
  484   2HG   GLU  63           HG1      GLU  63  64.489  -3.992  11.280
  485    H    VAL  64           HN       VAL  64  67.015  -1.075   9.118
  486    HA   VAL  64           HA       VAL  64  69.790  -0.404   9.575
  487    HB   VAL  64           HB       VAL  64  68.542  -1.215   7.459
  488   1HG1  VAL  64          HG12      VAL  64  66.825   0.622   7.579
  489   2HG1  VAL  64          HG11      VAL  64  68.097   1.768   7.154
  490   3HG1  VAL  64          HG13      VAL  64  67.633   0.503   6.015
  491   1HG2  VAL  64          HG21      VAL  64  70.954  -0.149   7.771
  492   2HG2  VAL  64          HG23      VAL  64  70.309  -0.464   6.159
  493   3HG2  VAL  64          HG22      VAL  64  70.247   1.166   6.831
  494    H    ASP  65           HN       ASP  65  66.811   1.525   9.243
  495    HA   ASP  65           HA       ASP  65  67.814   4.120   9.045
  496   1HB   ASP  65           HB2      ASP  65  65.402   2.923   9.483
  497   2HB   ASP  65           HB1      ASP  65  65.674   3.685  11.050
  498    H    GLU  66           HN       GLU  66  69.693   4.646  10.198
  499    HA   GLU  66           HA       GLU  66  69.705   4.152  13.146
  500   1HB   GLU  66           HB2      GLU  66  71.534   3.398  11.480
  501   2HB   GLU  66           HB1      GLU  66  71.987   5.102  11.410
  502   1HG   GLU  66           HG2      GLU  66  72.254   5.118  13.876
  503   2HG   GLU  66           HG1      GLU  66  71.853   3.400  13.916
  504    H    ASP  67           HN       ASP  67  69.462   6.670  10.764
  505    HA   ASP  67           HA       ASP  67  70.452   8.871  12.345
  506   1HB   ASP  67           HB2      ASP  67  69.221  10.194  10.633
  507   2HB   ASP  67           HB1      ASP  67  70.180   8.907   9.900
  508    H    GLY  68           HN       GLY  68  67.226   7.421  11.922
  509   1HA   GLY  68           HA2      GLY  68  65.585   7.404  13.712
  510   2HA   GLY  68           HA1      GLY  68  66.364   8.832  14.395
  511    H    SER  69           HN       SER  69  65.627   8.504  10.974
  512    HA   SER  69           HA       SER  69  63.863  10.892  11.181
  513   1HB   SER  69           HB2      SER  69  64.322  11.079   8.804
  514   2HB   SER  69           HB1      SER  69  65.842  10.728   9.622
  515    HG   SER  69           HG       SER  69  65.389   9.423   7.726
  516    H    GLY  70           HN       GLY  70  63.866   7.591   9.800
  517   1HA   GLY  70           HA2      GLY  70  61.827   6.212  10.055
  518   2HA   GLY  70           HA1      GLY  70  60.879   7.689   9.876
  519    H    THR  71           HN       THR  71  63.508   7.731   7.770
  520    HA   THR  71           HA       THR  71  61.860   6.573   5.545
  521    HB   THR  71           HB       THR  71  63.201   8.577   4.333
  522    HG1  THR  71           HG1      THR  71  64.074   9.787   5.789
  523   1HG2  THR  71          HG22      THR  71  60.568   8.107   5.269
  524   2HG2  THR  71          HG21      THR  71  60.955   9.782   5.661
  525   3HG2  THR  71          HG23      THR  71  61.076   9.216   3.994
  526    H    VAL  72           HN       VAL  72  63.394   6.311   3.522
  527    HA   VAL  72           HA       VAL  72  65.968   5.119   4.487
  528    HB   VAL  72           HB       VAL  72  64.544   4.433   1.919
  529   1HG1  VAL  72          HG13      VAL  72  66.867   3.616   2.495
  530   2HG1  VAL  72          HG12      VAL  72  66.145   2.730   3.837
  531   3HG1  VAL  72          HG11      VAL  72  65.691   2.340   2.179
  532   1HG2  VAL  72          HG21      VAL  72  63.784   3.688   4.731
  533   2HG2  VAL  72          HG23      VAL  72  62.740   4.049   3.356
  534   3HG2  VAL  72          HG22      VAL  72  63.582   2.501   3.443
  535    H    ASP  73           HN       ASP  73  67.470   6.762   4.079
  536    HA   ASP  73           HA       ASP  73  67.333   8.296   1.556
  537   1HB   ASP  73           HB2      ASP  73  68.982   9.662   2.610
  538   2HB   ASP  73           HB1      ASP  73  67.908   9.159   3.915
  539    H    PHE  74           HN       PHE  74  69.588   8.538   0.413
  540    HA   PHE  74           HA       PHE  74  70.342   6.158  -0.850
  541   1HB   PHE  74           HB2      PHE  74  70.888   8.600  -1.376
  542   2HB   PHE  74           HB1      PHE  74  72.202   8.460  -0.209
  543    HD1  PHE  74           HD1      PHE  74  70.889   5.957  -2.661
  544    HD2  PHE  74           HD2      PHE  74  74.184   8.444  -1.473
  545    HE1  PHE  74           HE1      PHE  74  72.315   4.896  -4.392
  546    HE2  PHE  74           HE2      PHE  74  75.609   7.383  -3.201
  547    HZ   PHE  74           HZ       PHE  74  74.675   5.610  -4.662
  548    H    ASP  75           HN       ASP  75  72.002   7.716   1.922
  549    HA   ASP  75           HA       ASP  75  74.060   5.847   2.331
  550   1HB   ASP  75           HB2      ASP  75  73.212   8.119   3.499
  551   2HB   ASP  75           HB1      ASP  75  72.624   6.963   4.695
  552    H    GLU  76           HN       GLU  76  70.940   5.868   4.114
  553    HA   GLU  76           HA       GLU  76  71.332   3.214   5.194
  554   1HB   GLU  76           HB2      GLU  76  68.825   4.890   4.837
  555   2HB   GLU  76           HB1      GLU  76  69.021   3.550   5.966
  556   1HG   GLU  76           HG2      GLU  76  70.473   4.746   7.347
  557   2HG   GLU  76           HG1      GLU  76  70.953   5.847   6.055
  558    H    PHE  77           HN       PHE  77  69.346   4.485   2.503
  559    HA   PHE  77           HA       PHE  77  67.886   2.296   1.690
  560   1HB   PHE  77           HB2      PHE  77  67.885   4.436   0.541
  561   2HB   PHE  77           HB1      PHE  77  69.561   4.213   0.040
  562    HD1  PHE  77           HD2      PHE  77  66.457   2.094  -0.010
  563    HD2  PHE  77           HD1      PHE  77  69.771   3.702  -2.219
  564    HE1  PHE  77           HE2      PHE  77  65.691   0.888  -2.038
  565    HE2  PHE  77           HE1      PHE  77  69.005   2.497  -4.247
  566    HZ   PHE  77           HZ       PHE  77  66.965   1.089  -4.156
  567    H    LEU  78           HN       LEU  78  71.375   2.789   1.080
  568    HA   LEU  78           HA       LEU  78  71.688   0.327  -0.427
  569   1HB   LEU  78           HB2      LEU  78  73.334   2.530   0.682
  570   2HB   LEU  78           HB1      LEU  78  74.176   0.995   0.467
  571    HG   LEU  78           HG       LEU  78  72.449   2.113  -1.733
  572   1HD1  LEU  78          HD12      LEU  78  74.079   3.874  -1.077
  573   2HD1  LEU  78          HD11      LEU  78  75.389   2.711  -1.281
  574   3HD1  LEU  78          HD13      LEU  78  74.428   3.210  -2.673
  575   1HD2  LEU  78          HD21      LEU  78  74.406  -0.063  -1.341
  576   2HD2  LEU  78          HD23      LEU  78  73.088   0.068  -2.505
  577   3HD2  LEU  78          HD22      LEU  78  74.631   0.857  -2.828
  578    H    VAL  79           HN       VAL  79  72.383   1.281   2.955
  579    HA   VAL  79           HA       VAL  79  73.575  -1.099   3.878
  580    HB   VAL  79           HB       VAL  79  71.581   0.715   5.278
  581   1HG1  VAL  79          HG11      VAL  79  73.800  -1.053   6.355
  582   2HG1  VAL  79          HG13      VAL  79  72.793   0.027   7.319
  583   3HG1  VAL  79          HG12      VAL  79  72.071  -1.364   6.510
  584   1HG2  VAL  79          HG21      VAL  79  74.343   1.087   4.336
  585   2HG2  VAL  79          HG23      VAL  79  73.157   2.292   4.837
  586   3HG2  VAL  79          HG22      VAL  79  74.128   1.456   6.047
  587    H    MET  80           HN       MET  80  70.094  -0.284   3.669
  588    HA   MET  80           HA       MET  80  68.993  -2.603   4.822
  589   1HB   MET  80           HB2      MET  80  68.190  -0.366   3.274
  590   2HB   MET  80           HB1      MET  80  67.545  -1.790   2.457
  591   1HG   MET  80           HG2      MET  80  67.250  -1.907   5.373
  592   2HG   MET  80           HG1      MET  80  66.391  -0.551   4.643
  593   1HE   MET  80           HE2      MET  80  65.792  -1.361   1.872
  594   2HE   MET  80           HE1      MET  80  64.247  -2.206   1.904
  595   3HE   MET  80           HE3      MET  80  64.481  -0.746   2.875
  596    H    MET  81           HN       MET  81  69.942  -2.052   1.417
  597    HA   MET  81           HA       MET  81  69.238  -4.604   0.387
  598   1HB   MET  81           HB2      MET  81  70.948  -2.296  -0.297
  599   2HB   MET  81           HB1      MET  81  71.457  -3.815  -1.037
  600   1HG   MET  81           HG2      MET  81  69.492  -4.044  -2.249
  601   2HG   MET  81           HG1      MET  81  68.551  -3.088  -1.103
  602   1HE   MET  81           HE3      MET  81  67.719  -2.698  -3.401
  603   2HE   MET  81           HE2      MET  81  67.492  -0.997  -3.002
  604   3HE   MET  81           HE1      MET  81  68.285  -1.443  -4.511
  605    H    VAL  82           HN       VAL  82  72.568  -3.527   1.171
  606    HA   VAL  82           HA       VAL  82  73.838  -6.022   1.137
  607    HB   VAL  82           HB       VAL  82  75.007  -3.899   1.361
  608   1HG1  VAL  82          HG13      VAL  82  73.283  -2.740   2.702
  609   2HG1  VAL  82          HG12      VAL  82  73.699  -3.737   4.096
  610   3HG1  VAL  82          HG11      VAL  82  74.873  -2.591   3.449
  611   1HG2  VAL  82          HG22      VAL  82  75.403  -6.115   3.216
  612   2HG2  VAL  82          HG21      VAL  82  76.602  -5.185   2.315
  613   3HG2  VAL  82          HG23      VAL  82  76.017  -4.596   3.872
  614    H    ARG  83           HN       ARG  83  71.866  -4.560   3.690
  615    HA   ARG  83           HA       ARG  83  72.441  -6.397   5.800
  616   1HB   ARG  83           HB2      ARG  83  70.292  -4.479   5.017
  617   2HB   ARG  83           HB1      ARG  83  69.901  -5.641   6.285
  618   1HG   ARG  83           HG2      ARG  83  71.940  -4.942   7.523
  619   2HG   ARG  83           HG1      ARG  83  72.260  -3.734   6.279
  620   1HD   ARG  83           HD2      ARG  83  71.106  -2.570   8.040
  621   2HD   ARG  83           HD1      ARG  83  69.890  -2.838   6.773
  622    HE   ARG  83           HE       ARG  83  68.763  -4.164   8.361
  623   1HH1  ARG  83          HH21      ARG  83  71.419  -3.354  10.054
  624   2HH1  ARG  83          HH22      ARG  83  71.673  -4.885  10.824
  625   1HH2  ARG  83          HH11      ARG  83  69.406  -6.572   8.815
  626   2HH2  ARG  83          HH12      ARG  83  70.533  -6.706  10.124
  627    H    CYS  84           HN       CYS  84  70.177  -6.539   3.075
  628    HA   CYS  84           HA       CYS  84  69.027  -9.099   4.006
  629   1HB   CYS  84           HB2      CYS  84  67.582  -7.426   2.996
  630   2HB   CYS  84           HB1      CYS  84  68.629  -7.316   1.582
  631    HG   CYS  84           HG       CYS  84  67.948 -10.051   1.407
  632    H    MET  85           HN       MET  85  71.170  -7.872   1.448
  633    HA   MET  85           HA       MET  85  71.908 -10.713   0.820
  634   1HB   MET  85           HB2      MET  85  72.211  -9.857  -1.527
  635   2HB   MET  85           HB1      MET  85  70.545  -9.747  -0.957
  636   1HG   MET  85           HG2      MET  85  70.560  -7.522  -1.282
  637   2HG   MET  85           HG1      MET  85  71.933  -7.359  -0.190
  638   1HE   MET  85           HE2      MET  85  73.050  -5.841  -0.785
  639   2HE   MET  85           HE1      MET  85  74.457  -6.072  -1.822
  640   3HE   MET  85           HE3      MET  85  73.073  -5.132  -2.399
  641    H    LYS  86           HN       LYS  86  73.488  -9.820   2.681
  642    HA   LYS  86           HA       LYS  86  75.579  -7.978   1.915
  643   1HB   LYS  86           HB2      LYS  86  75.070  -8.369   4.227
  644   2HB   LYS  86           HB1      LYS  86  75.250 -10.113   4.037
  645   1HG   LYS  86           HG2      LYS  86  77.648  -9.831   3.568
  646   2HG   LYS  86           HG1      LYS  86  77.479  -8.082   3.722
  647   1HD   LYS  86           HD2      LYS  86  76.364  -9.473   6.027
  648   2HD   LYS  86           HD1      LYS  86  78.067  -9.867   5.790
  649   1HE   LYS  86           HE2      LYS  86  78.765  -7.704   6.204
  650   2HE   LYS  86           HE1      LYS  86  77.284  -6.991   5.534
  651   1HZ   LYS  86           HZ2      LYS  86  77.121  -8.694   7.927
  652   2HZ   LYS  86           HZ1      LYS  86  77.614  -7.078   8.099
  653   3HZ   LYS  86           HZ3      LYS  86  76.095  -7.432   7.434
  654    H    ASP  87           HN       ASP  87  76.570  -8.640  -0.045
  655    HA   ASP  87           HA       ASP  87  78.022  -9.905  -1.418
  656   1HB   ASP  87           HB2      ASP  87  79.178  -9.529   0.926
  657   2HB   ASP  87           HB1      ASP  87  78.930 -11.266   1.102
  658    H    ASP  88           HN       ASP  88  78.888 -12.469  -1.415
  659    HA   ASP  88           HA       ASP  88  76.469 -14.176  -0.953
  660   1HB   ASP  88           HB2      ASP  88  77.101 -13.181  -3.365
  661   2HB   ASP  88           HB1      ASP  88  78.170 -14.584  -3.374
  662    H    SER  89           HN       SER  89  79.971 -14.107  -1.665
  663    HA   SER  89           HA       SER  89  80.261 -16.572   0.013
  664   1HB   SER  89           HB2      SER  89  81.201 -15.947  -2.773
  665   2HB   SER  89           HB1      SER  89  82.136 -17.054  -1.773
  666    HG   SER  89           HG       SER  89  79.801 -17.923  -1.413
   
  No H/Q in entry =         666
  Start of MODEL   18
    1   1H    MET   1           HT1      MET   1  82.234   2.045  15.605
    2   2H    MET   1           HT3      MET   1  81.353   3.101  16.597
    3   3H    MET   1           HT2      MET   1  82.768   2.367  17.186
    4    HA   MET   1           HA       MET   1  81.770   0.322  17.485
    5   1HB   MET   1           HB2      MET   1  80.816   2.446  18.722
    6   2HB   MET   1           HB1      MET   1  79.362   2.098  17.783
    7   1HG   MET   1           HG2      MET   1  79.199  -0.117  18.721
    8   2HG   MET   1           HG1      MET   1  80.778   0.035  19.492
    9   1HE   MET   1           HE2      MET   1  80.745  -0.100  21.695
   10   2HE   MET   1           HE1      MET   1  79.548   0.468  22.854
   11   3HE   MET   1           HE3      MET   1  79.146  -0.839  21.732
   12    H    ASP   2           HN       ASP   2  79.872  -1.133  17.002
   13    HA   ASP   2           HA       ASP   2  78.604  -2.282  15.366
   14   1HB   ASP   2           HB2      ASP   2  77.189  -0.335  16.136
   15   2HB   ASP   2           HB1      ASP   2  77.773   0.566  14.737
   16    H    ASP   3           HN       ASP   3  80.189  -3.044  13.899
   17    HA   ASP   3           HA       ASP   3  80.649  -1.310  11.494
   18   1HB   ASP   3           HB2      ASP   3  82.916  -2.339  11.439
   19   2HB   ASP   3           HB1      ASP   3  82.630  -1.478  12.951
   20    H    ILE   4           HN       ILE   4  82.246  -3.858  10.608
   21    HA   ILE   4           HA       ILE   4  81.798  -5.814   9.365
   22    HB   ILE   4           HB       ILE   4  79.149  -5.792  10.836
   23   1HG1  ILE   4          HG12      ILE   4  81.739  -6.983  11.856
   24   2HG1  ILE   4          HG11      ILE   4  81.194  -5.373  12.328
   25   1HG2  ILE   4          HG23      ILE   4  79.486  -7.498   9.065
   26   2HG2  ILE   4          HG22      ILE   4  80.952  -8.037   9.885
   27   3HG2  ILE   4          HG21      ILE   4  79.383  -8.227  10.669
   28   1HD1  ILE   4          HD12      ILE   4  78.999  -7.211  12.579
   29   2HD1  ILE   4          HD11      ILE   4  80.396  -7.864  13.434
   30   3HD1  ILE   4          HD13      ILE   4  79.785  -6.260  13.839
   31    H    TYR   5           HN       TYR   5  78.614  -4.190   9.732
   32    HA   TYR   5           HA       TYR   5  77.909  -4.646   6.950
   33   1HB   TYR   5           HB2      TYR   5  76.809  -3.128   9.307
   34   2HB   TYR   5           HB1      TYR   5  76.072  -2.943   7.715
   35    HD1  TYR   5           HD1      TYR   5  74.982  -4.832   6.596
   36    HD2  TYR   5           HD2      TYR   5  76.699  -5.245  10.511
   37    HE1  TYR   5           HE1      TYR   5  73.770  -6.974   6.902
   38    HE2  TYR   5           HE2      TYR   5  75.488  -7.388  10.817
   39    HH   TYR   5           HH       TYR   5  74.382  -9.203   8.615
   40    H    LYS   6           HN       LYS   6  79.252  -1.923   8.785
   41    HA   LYS   6           HA       LYS   6  78.929   0.115   6.813
   42   1HB   LYS   6           HB2      LYS   6  80.734  -0.437   9.149
   43   2HB   LYS   6           HB1      LYS   6  81.082   0.947   8.112
   44   1HG   LYS   6           HG2      LYS   6  78.248   0.791   8.753
   45   2HG   LYS   6           HG1      LYS   6  79.235   0.878  10.213
   46   1HD   LYS   6           HD2      LYS   6  80.408   2.855   9.290
   47   2HD   LYS   6           HD1      LYS   6  79.390   2.778   7.852
   48   1HE   LYS   6           HE2      LYS   6  77.384   2.920   9.481
   49   2HE   LYS   6           HE1      LYS   6  78.574   3.448  10.686
   50   1HZ   LYS   6           HZ1      LYS   6  78.875   4.677   8.090
   51   2HZ   LYS   6           HZ3      LYS   6  77.424   5.078   8.872
   52   3HZ   LYS   6           HZ2      LYS   6  78.912   5.384   9.634
   53    H    ALA   7           HN       ALA   7  80.869  -2.698   6.762
   54    HA   ALA   7           HA       ALA   7  82.940  -1.545   4.987
   55   1HB   ALA   7           HB1      ALA   7  83.484  -3.165   6.776
   56   2HB   ALA   7           HB3      ALA   7  82.418  -4.351   6.025
   57   3HB   ALA   7           HB2      ALA   7  83.880  -3.826   5.191
   58    H    ALA   8           HN       ALA   8  80.162  -3.757   4.837
   59    HA   ALA   8           HA       ALA   8  80.564  -4.655   2.135
   60   1HB   ALA   8           HB3      ALA   8  78.988  -5.357   4.185
   61   2HB   ALA   8           HB2      ALA   8  77.836  -4.344   3.316
   62   3HB   ALA   8           HB1      ALA   8  78.556  -5.742   2.519
   63    H    VAL   9           HN       VAL   9  79.425  -1.658   3.451
   64    HA   VAL   9           HA       VAL   9  77.877  -0.870   1.084
   65    HB   VAL   9           HB       VAL   9  78.901   0.631   3.516
   66   1HG1  VAL   9          HG12      VAL   9  77.551   1.507   1.094
   67   2HG1  VAL   9          HG11      VAL   9  76.570   1.831   2.523
   68   3HG1  VAL   9          HG13      VAL   9  78.209   2.473   2.415
   69   1HG2  VAL   9          HG21      VAL   9  76.356  -0.866   2.880
   70   2HG2  VAL   9          HG23      VAL   9  77.401  -1.032   4.291
   71   3HG2  VAL   9          HG22      VAL   9  76.389   0.401   4.108
   72    H    GLU  10           HN       GLU  10  81.059  -0.068   2.498
   73    HA   GLU  10           HA       GLU  10  81.758   1.835   0.415
   74   1HB   GLU  10           HB2      GLU  10  83.133   0.400   2.676
   75   2HB   GLU  10           HB1      GLU  10  84.083   1.345   1.528
   76   1HG   GLU  10           HG2      GLU  10  82.490   3.275   1.972
   77   2HG   GLU  10           HG1      GLU  10  81.834   2.322   3.303
   78    H    GLN  11           HN       GLN  11  82.165  -1.638   0.860
   79    HA   GLN  11           HA       GLN  11  84.202  -2.021  -1.153
   80   1HB   GLN  11           HB2      GLN  11  82.309  -3.620   0.486
   81   2HB   GLN  11           HB1      GLN  11  82.900  -4.396  -0.984
   82   1HG   GLN  11           HG2      GLN  11  84.807  -4.884   0.105
   83   2HG   GLN  11           HG1      GLN  11  85.147  -3.155   0.186
   84   1HE2  GLN  11          HE22      GLN  11  83.688  -5.078   3.496
   85   2HE2  GLN  11          HE21      GLN  11  83.641  -5.848   1.983
   86    H    LEU  12           HN       LEU  12  80.916  -1.168  -1.402
   87    HA   LEU  12           HA       LEU  12  79.993  -2.586  -3.668
   88   1HB   LEU  12           HB2      LEU  12  79.572   0.258  -2.706
   89   2HB   LEU  12           HB1      LEU  12  78.598  -0.495  -3.970
   90    HG   LEU  12           HG       LEU  12  78.921  -1.562  -1.149
   91   1HD1  LEU  12          HD13      LEU  12  77.298   0.535  -2.136
   92   2HD1  LEU  12          HD12      LEU  12  76.234  -0.856  -1.927
   93   3HD1  LEU  12          HD11      LEU  12  77.182  -0.258  -0.566
   94   1HD2  LEU  12          HD22      LEU  12  77.323  -2.470  -3.557
   95   2HD2  LEU  12          HD21      LEU  12  78.537  -3.385  -2.665
   96   3HD2  LEU  12          HD23      LEU  12  76.981  -3.023  -1.918
   97    H    THR  13           HN       THR  13  80.441  -2.426  -5.849
   98    HA   THR  13           HA       THR  13  82.815  -1.053  -6.745
   99    HB   THR  13           HB       THR  13  82.069  -1.929  -8.939
  100    HG1  THR  13           HG1      THR  13  80.052  -2.892  -9.082
  101   1HG2  THR  13          HG22      THR  13  82.179  -3.527  -6.465
  102   2HG2  THR  13          HG21      THR  13  81.404  -4.341  -7.824
  103   3HG2  THR  13          HG23      THR  13  83.052  -3.738  -7.983
  104    H    GLU  14           HN       GLU  14  82.900   0.709  -8.300
  105    HA   GLU  14           HA       GLU  14  81.207   2.934  -7.740
  106   1HB   GLU  14           HB2      GLU  14  83.573   2.379  -9.083
  107   2HB   GLU  14           HB1      GLU  14  82.495   2.907 -10.376
  108   1HG   GLU  14           HG2      GLU  14  81.877   4.842  -8.731
  109   2HG   GLU  14           HG1      GLU  14  83.393   4.419  -7.937
  110    H    GLU  15           HN       GLU  15  81.077   0.461 -10.286
  111    HA   GLU  15           HA       GLU  15  79.057   1.710 -11.905
  112   1HB   GLU  15           HB2      GLU  15  78.874  -0.567 -12.845
  113   2HB   GLU  15           HB1      GLU  15  80.566  -0.132 -12.596
  114   1HG   GLU  15           HG2      GLU  15  80.564  -1.353 -10.449
  115   2HG   GLU  15           HG1      GLU  15  78.877  -1.799 -10.708
  116    H    GLN  16           HN       GLN  16  78.915   0.076  -8.850
  117    HA   GLN  16           HA       GLN  16  76.101  -0.717  -9.055
  118   1HB   GLN  16           HB2      GLN  16  77.910  -1.841  -7.694
  119   2HB   GLN  16           HB1      GLN  16  77.905  -0.431  -6.634
  120   1HG   GLN  16           HG2      GLN  16  75.850  -0.941  -5.732
  121   2HG   GLN  16           HG1      GLN  16  75.273  -1.706  -7.212
  122   1HE2  GLN  16          HE22      GLN  16  77.974  -4.130  -5.359
  123   2HE2  GLN  16          HE21      GLN  16  78.422  -2.580  -5.889
  124    H    LYS  17           HN       LYS  17  77.738   1.511  -6.769
  125    HA   LYS  17           HA       LYS  17  75.435   2.867  -5.876
  126   1HB   LYS  17           HB2      LYS  17  78.328   3.683  -6.245
  127   2HB   LYS  17           HB1      LYS  17  77.157   4.710  -5.416
  128   1HG   LYS  17           HG2      LYS  17  77.055   3.348  -3.583
  129   2HG   LYS  17           HG1      LYS  17  77.230   1.877  -4.542
  130   1HD   LYS  17           HD2      LYS  17  79.387   1.793  -3.904
  131   2HD   LYS  17           HD1      LYS  17  79.665   3.264  -4.837
  132   1HE   LYS  17           HE2      LYS  17  79.294   4.664  -2.931
  133   2HE   LYS  17           HE1      LYS  17  78.614   3.319  -1.991
  134   1HZ   LYS  17           HZ1      LYS  17  81.243   2.854  -3.129
  135   2HZ   LYS  17           HZ3      LYS  17  81.193   4.021  -1.900
  136   3HZ   LYS  17           HZ2      LYS  17  80.636   2.445  -1.596
  137    H    ASN  18           HN       ASN  18  77.177   3.187  -8.896
  138    HA   ASN  18           HA       ASN  18  76.231   5.807  -9.644
  139   1HB   ASN  18           HB2      ASN  18  77.654   3.504 -10.782
  140   2HB   ASN  18           HB1      ASN  18  76.669   4.359 -11.970
  141   1HD2  ASN  18          HD22      ASN  18  79.904   6.134 -11.959
  142   2HD2  ASN  18          HD21      ASN  18  79.310   4.626 -12.463
  143    H    GLU  19           HN       GLU  19  74.871   2.563  -9.876
  144    HA   GLU  19           HA       GLU  19  72.661   3.436 -11.627
  145   1HB   GLU  19           HB2      GLU  19  73.856   0.954 -10.572
  146   2HB   GLU  19           HB1      GLU  19  72.098   0.898 -10.717
  147   1HG   GLU  19           HG2      GLU  19  72.721   0.235 -12.853
  148   2HG   GLU  19           HG1      GLU  19  72.580   1.978 -13.085
  149    H    PHE  20           HN       PHE  20  73.314   3.101  -8.228
  150    HA   PHE  20           HA       PHE  20  70.505   2.891  -7.419
  151   1HB   PHE  20           HB2      PHE  20  73.074   3.510  -5.925
  152   2HB   PHE  20           HB1      PHE  20  71.529   3.151  -5.159
  153    HD1  PHE  20           HD1      PHE  20  71.284   1.215  -7.943
  154    HD2  PHE  20           HD2      PHE  20  73.647   1.436  -4.361
  155    HE1  PHE  20           HE1      PHE  20  71.767  -1.210  -8.111
  156    HE2  PHE  20           HE2      PHE  20  74.129  -0.990  -4.530
  157    HZ   PHE  20           HZ       PHE  20  73.190  -2.314  -6.405
  158    H    LYS  21           HN       LYS  21  72.911   5.460  -7.809
  159    HA   LYS  21           HA       LYS  21  71.616   7.570  -6.420
  160   1HB   LYS  21           HB2      LYS  21  73.921   7.416  -7.566
  161   2HB   LYS  21           HB1      LYS  21  73.075   7.821  -9.060
  162   1HG   LYS  21           HG2      LYS  21  72.095   9.814  -7.733
  163   2HG   LYS  21           HG1      LYS  21  73.382   9.492  -6.569
  164   1HD   LYS  21           HD2      LYS  21  74.708   9.418  -9.004
  165   2HD   LYS  21           HD1      LYS  21  73.544  10.725  -9.220
  166   1HE   LYS  21           HE2      LYS  21  75.239  10.552  -6.721
  167   2HE   LYS  21           HE1      LYS  21  75.823  11.370  -8.183
  168   1HZ   LYS  21           HZ1      LYS  21  73.484  12.437  -8.154
  169   2HZ   LYS  21           HZ3      LYS  21  73.483  12.015  -6.512
  170   3HZ   LYS  21           HZ2      LYS  21  74.683  13.053  -7.120
  171    H    ALA  22           HN       ALA  22  71.342   6.659  -9.877
  172    HA   ALA  22           HA       ALA  22  69.312   8.553 -10.554
  173   1HB   ALA  22           HB2      ALA  22  70.056   5.816 -11.635
  174   2HB   ALA  22           HB1      ALA  22  68.961   6.928 -12.457
  175   3HB   ALA  22           HB3      ALA  22  70.650   7.375 -12.207
  176    H    ALA  23           HN       ALA  23  69.016   5.061  -9.771
  177    HA   ALA  23           HA       ALA  23  66.204   4.859  -9.789
  178   1HB   ALA  23           HB3      ALA  23  68.351   3.250  -9.260
  179   2HB   ALA  23           HB2      ALA  23  67.662   3.423  -7.646
  180   3HB   ALA  23           HB1      ALA  23  66.678   2.777  -8.959
  181    H    PHE  24           HN       PHE  24  68.368   5.804  -7.105
  182    HA   PHE  24           HA       PHE  24  66.555   6.045  -4.998
  183   1HB   PHE  24           HB2      PHE  24  68.932   6.452  -4.768
  184   2HB   PHE  24           HB1      PHE  24  68.853   7.818  -5.882
  185    HD1  PHE  24           HD1      PHE  24  67.305   9.794  -5.225
  186    HD2  PHE  24           HD2      PHE  24  68.644   6.790  -2.462
  187    HE1  PHE  24           HE1      PHE  24  66.791  11.309  -3.329
  188    HE2  PHE  24           HE2      PHE  24  68.129   8.305  -0.566
  189    HZ   PHE  24           HZ       PHE  24  67.203  10.563  -1.000
  190    H    ASP  25           HN       ASP  25  67.255   8.496  -7.511
  191    HA   ASP  25           HA       ASP  25  65.303  10.402  -6.578
  192   1HB   ASP  25           HB2      ASP  25  66.816   9.901  -9.144
  193   2HB   ASP  25           HB1      ASP  25  65.685  11.245  -8.995
  194    H    ILE  26           HN       ILE  26  64.876   7.379  -8.062
  195    HA   ILE  26           HA       ILE  26  62.487   8.136  -9.616
  196    HB   ILE  26           HB       ILE  26  63.839   5.500  -8.985
  197   1HG1  ILE  26          HG12      ILE  26  64.023   7.531 -11.203
  198   2HG1  ILE  26          HG11      ILE  26  65.328   6.729 -10.332
  199   1HG2  ILE  26          HG21      ILE  26  61.253   5.777  -9.744
  200   2HG2  ILE  26          HG23      ILE  26  62.041   5.801 -11.321
  201   3HG2  ILE  26          HG22      ILE  26  62.267   4.424 -10.243
  202   1HD1  ILE  26          HD13      ILE  26  64.604   4.563 -11.401
  203   2HD1  ILE  26          HD12      ILE  26  63.479   5.495 -12.388
  204   3HD1  ILE  26          HD11      ILE  26  65.216   5.760 -12.542
  205    H    PHE  27           HN       PHE  27  63.246   6.317  -6.626
  206    HA   PHE  27           HA       PHE  27  60.486   5.586  -6.106
  207   1HB   PHE  27           HB2      PHE  27  62.768   5.814  -4.133
  208   2HB   PHE  27           HB1      PHE  27  61.420   4.677  -4.104
  209    HD1  PHE  27           HD2      PHE  27  61.194   3.203  -6.332
  210    HD2  PHE  27           HD1      PHE  27  64.815   5.046  -4.937
  211    HE1  PHE  27           HE2      PHE  27  62.529   1.587  -7.661
  212    HE2  PHE  27           HE1      PHE  27  66.149   3.432  -6.266
  213    HZ   PHE  27           HZ       PHE  27  65.006   1.703  -7.627
  214    H    VAL  28           HN       VAL  28  62.428   8.421  -5.508
  215    HA   VAL  28           HA       VAL  28  60.552   9.472  -3.467
  216    HB   VAL  28           HB       VAL  28  62.276  11.160  -3.224
  217   1HG1  VAL  28          HG12      VAL  28  62.651   8.558  -2.658
  218   2HG1  VAL  28          HG11      VAL  28  63.990   8.796  -3.781
  219   3HG1  VAL  28          HG13      VAL  28  63.876   9.781  -2.324
  220   1HG2  VAL  28          HG22      VAL  28  62.906  10.293  -5.970
  221   2HG2  VAL  28          HG21      VAL  28  63.142  11.865  -5.208
  222   3HG2  VAL  28          HG23      VAL  28  64.319  10.577  -4.954
  223    H    LEU  29           HN       LEU  29  60.049   9.119  -6.534
  224    HA   LEU  29           HA       LEU  29  59.919  11.579  -7.882
  225   1HB   LEU  29           HB2      LEU  29  58.914   8.927  -8.091
  226   2HB   LEU  29           HB1      LEU  29  57.551  10.015  -8.354
  227    HG   LEU  29           HG       LEU  29  58.675   9.572 -10.482
  228   1HD1  LEU  29          HD11      LEU  29  58.668  12.264  -9.233
  229   2HD1  LEU  29          HD13      LEU  29  59.603  12.110 -10.722
  230   3HD1  LEU  29          HD12      LEU  29  57.885  11.706 -10.712
  231   1HD2  LEU  29          HD22      LEU  29  60.959   9.385  -9.015
  232   2HD2  LEU  29          HD21      LEU  29  60.946   9.627 -10.762
  233   3HD2  LEU  29          HD23      LEU  29  61.145  11.007  -9.682
  234    H    GLY  30           HN       GLY  30  57.618  10.222  -5.518
  235   1HA   GLY  30           HA2      GLY  30  56.015  12.721  -5.695
  236   2HA   GLY  30           HA1      GLY  30  55.492  11.228  -4.916
  237    H    ALA  31           HN       ALA  31  58.421  11.245  -3.756
  238    HA   ALA  31           HA       ALA  31  57.901  11.955  -1.127
  239   1HB   ALA  31           HB1      ALA  31  59.968  10.909  -2.204
  240   2HB   ALA  31           HB3      ALA  31  60.499  12.552  -2.565
  241   3HB   ALA  31           HB2      ALA  31  60.289  12.042  -0.890
  242    H    GLU  32           HN       GLU  32  58.773  13.927   0.085
  243    HA   GLU  32           HA       GLU  32  57.875  16.388  -1.318
  244   1HB   GLU  32           HB2      GLU  32  57.708  17.267   0.948
  245   2HB   GLU  32           HB1      GLU  32  56.981  15.661   0.914
  246   1HG   GLU  32           HG2      GLU  32  59.855  15.593   1.481
  247   2HG   GLU  32           HG1      GLU  32  58.941  16.499   2.684
  248    H    ASP  33           HN       ASP  33  60.767  14.833  -0.184
  249    HA   ASP  33           HA       ASP  33  62.326  17.306  -0.865
  250   1HB   ASP  33           HB2      ASP  33  63.852  16.602   0.993
  251   2HB   ASP  33           HB1      ASP  33  62.221  16.972   1.554
  252    H    GLY  34           HN       GLY  34  61.792  13.988  -1.453
  253   1HA   GLY  34           HA2      GLY  34  62.907  12.981  -3.405
  254   2HA   GLY  34           HA1      GLY  34  64.377  13.839  -2.940
  255    H    CYS  35           HN       CYS  35  62.226  12.068  -0.754
  256    HA   CYS  35           HA       CYS  35  64.525  10.244  -0.134
  257   1HB   CYS  35           HB2      CYS  35  62.193  11.303   1.488
  258   2HB   CYS  35           HB1      CYS  35  63.297  10.062   2.080
  259    HG   CYS  35           HG       CYS  35  65.149  11.758   2.282
  260    H    ILE  36           HN       ILE  36  64.050   7.992   0.127
  261    HA   ILE  36           HA       ILE  36  61.624   7.086  -1.331
  262    HB   ILE  36           HB       ILE  36  63.833   5.328  -0.267
  263   1HG1  ILE  36          HG12      ILE  36  63.984   7.080  -2.746
  264   2HG1  ILE  36          HG11      ILE  36  64.974   7.262  -1.298
  265   1HG2  ILE  36          HG22      ILE  36  61.734   5.253  -2.355
  266   2HG2  ILE  36          HG21      ILE  36  63.291   4.577  -2.832
  267   3HG2  ILE  36          HG23      ILE  36  62.444   3.934  -1.424
  268   1HD1  ILE  36          HD11      ILE  36  64.907   4.774  -3.029
  269   2HD1  ILE  36          HD13      ILE  36  66.150   6.022  -3.117
  270   3HD1  ILE  36          HD12      ILE  36  65.967   5.064  -1.648
  271    H    SER  37           HN       SER  37  60.090   7.511   0.418
  272    HA   SER  37           HA       SER  37  60.302   6.619   3.096
  273   1HB   SER  37           HB2      SER  37  58.154   7.400   3.169
  274   2HB   SER  37           HB1      SER  37  58.510   7.963   1.539
  275    HG   SER  37           HG       SER  37  57.377   6.336   0.714
  276    H    THR  38           HN       THR  38  58.716   4.820   3.960
  277    HA   THR  38           HA       THR  38  59.574   2.276   2.795
  278    HB   THR  38           HB       THR  38  59.481   2.548   5.194
  279    HG1  THR  38           HG1      THR  38  57.426   1.034   5.442
  280   1HG2  THR  38          HG21      THR  38  56.795   3.667   4.546
  281   2HG2  THR  38          HG23      THR  38  56.977   2.825   6.085
  282   3HG2  THR  38          HG22      THR  38  57.990   4.222   5.718
  283    H    LYS  39           HN       LYS  39  56.663   4.249   2.782
  284    HA   LYS  39           HA       LYS  39  54.764   2.271   1.979
  285   1HB   LYS  39           HB2      LYS  39  55.045   5.162   2.185
  286   2HB   LYS  39           HB1      LYS  39  54.088   4.714   0.772
  287   1HG   LYS  39           HG2      LYS  39  53.082   3.016   2.679
  288   2HG   LYS  39           HG1      LYS  39  53.443   4.452   3.636
  289   1HD   LYS  39           HD2      LYS  39  52.269   5.732   1.673
  290   2HD   LYS  39           HD1      LYS  39  51.564   4.157   1.310
  291   1HE   LYS  39           HE2      LYS  39  49.992   5.135   2.792
  292   2HE   LYS  39           HE1      LYS  39  50.967   4.109   3.862
  293   1HZ   LYS  39           HZ2      LYS  39  52.483   6.155   4.010
  294   2HZ   LYS  39           HZ1      LYS  39  51.137   7.027   3.448
  295   3HZ   LYS  39           HZ3      LYS  39  51.039   6.166   4.906
  296    H    GLU  40           HN       GLU  40  57.150   4.146   0.173
  297    HA   GLU  40           HA       GLU  40  56.235   2.865  -2.373
  298   1HB   GLU  40           HB2      GLU  40  57.913   5.301  -1.703
  299   2HB   GLU  40           HB1      GLU  40  57.681   4.712  -3.350
  300   1HG   GLU  40           HG2      GLU  40  55.539   5.683  -1.439
  301   2HG   GLU  40           HG1      GLU  40  56.037   6.438  -2.954
  302    H    LEU  41           HN       LEU  41  58.246   2.097   0.026
  303    HA   LEU  41           HA       LEU  41  60.796   1.715  -1.306
  304   1HB   LEU  41           HB2      LEU  41  60.406   1.930   1.154
  305   2HB   LEU  41           HB1      LEU  41  59.577   0.374   1.130
  306    HG   LEU  41           HG       LEU  41  62.043   0.319   1.805
  307   1HD1  LEU  41          HD13      LEU  41  60.468  -1.463   0.353
  308   2HD1  LEU  41          HD12      LEU  41  61.984  -1.409  -0.547
  309   3HD1  LEU  41          HD11      LEU  41  61.988  -1.845   1.162
  310   1HD2  LEU  41          HD23      LEU  41  62.484   1.949  -0.258
  311   2HD2  LEU  41          HD22      LEU  41  63.703   0.780   0.253
  312   3HD2  LEU  41          HD21      LEU  41  62.659   0.422  -1.123
  313    H    GLY  42           HN       GLY  42  58.117  -0.510  -0.445
  314   1HA   GLY  42           HA2      GLY  42  59.114  -2.917  -1.392
  315   2HA   GLY  42           HA1      GLY  42  57.415  -2.469  -1.559
  316    H    LYS  43           HN       LYS  43  57.427  -0.459  -3.375
  317    HA   LYS  43           HA       LYS  43  57.556  -1.668  -5.889
  318   1HB   LYS  43           HB2      LYS  43  58.037   1.221  -5.087
  319   2HB   LYS  43           HB1      LYS  43  57.606   0.687  -6.712
  320   1HG   LYS  43           HG2      LYS  43  55.600  -0.491  -5.501
  321   2HG   LYS  43           HG1      LYS  43  55.940   0.665  -4.213
  322   1HD   LYS  43           HD2      LYS  43  54.649   2.107  -5.386
  323   2HD   LYS  43           HD1      LYS  43  56.024   2.242  -6.483
  324   1HE   LYS  43           HE2      LYS  43  55.087   0.238  -7.743
  325   2HE   LYS  43           HE1      LYS  43  53.619   0.414  -6.762
  326   1HZ   LYS  43           HZ2      LYS  43  53.920   2.912  -7.429
  327   2HZ   LYS  43           HZ1      LYS  43  54.750   2.248  -8.754
  328   3HZ   LYS  43           HZ3      LYS  43  53.130   1.830  -8.474
  329    H    VAL  44           HN       VAL  44  60.159  -0.109  -4.067
  330    HA   VAL  44           HA       VAL  44  62.065  -0.077  -6.258
  331    HB   VAL  44           HB       VAL  44  62.635  -0.107  -3.286
  332   1HG1  VAL  44          HG11      VAL  44  64.162   0.349  -5.667
  333   2HG1  VAL  44          HG13      VAL  44  64.064   1.865  -4.770
  334   3HG1  VAL  44          HG12      VAL  44  64.705   0.417  -3.991
  335   1HG2  VAL  44          HG22      VAL  44  61.077   1.813  -4.890
  336   2HG2  VAL  44          HG21      VAL  44  61.166   1.623  -3.139
  337   3HG2  VAL  44          HG23      VAL  44  62.403   2.547  -3.989
  338    H    MET  45           HN       MET  45  61.699  -2.172  -3.366
  339    HA   MET  45           HA       MET  45  63.811  -3.982  -3.983
  340   1HB   MET  45           HB2      MET  45  61.223  -4.140  -2.430
  341   2HB   MET  45           HB1      MET  45  62.339  -5.504  -2.495
  342   1HG   MET  45           HG2      MET  45  63.580  -2.888  -1.878
  343   2HG   MET  45           HG1      MET  45  62.498  -3.520  -0.637
  344   1HE   MET  45           HE1      MET  45  65.709  -2.944  -1.163
  345   2HE   MET  45           HE3      MET  45  66.729  -4.388  -1.076
  346   3HE   MET  45           HE2      MET  45  65.889  -3.987  -2.573
  347    H    ARG  46           HN       ARG  46  60.509  -3.757  -5.185
  348    HA   ARG  46           HA       ARG  46  60.338  -6.419  -6.296
  349   1HB   ARG  46           HB2      ARG  46  58.746  -4.114  -5.973
  350   2HB   ARG  46           HB1      ARG  46  58.822  -4.390  -7.714
  351   1HG   ARG  46           HG2      ARG  46  58.080  -6.698  -7.419
  352   2HG   ARG  46           HG1      ARG  46  58.101  -6.508  -5.666
  353   1HD   ARG  46           HD2      ARG  46  56.295  -4.907  -5.735
  354   2HD   ARG  46           HD1      ARG  46  56.382  -4.810  -7.505
  355    HE   ARG  46           HE       ARG  46  55.907  -7.395  -7.336
  356   1HH1  ARG  46          HH21      ARG  46  55.388  -7.188  -4.363
  357   2HH1  ARG  46          HH22      ARG  46  53.662  -7.044  -4.320
  358   1HH2  ARG  46          HH11      ARG  46  53.382  -6.228  -7.680
  359   2HH2  ARG  46          HH12      ARG  46  52.526  -6.499  -6.198
  360    H    MET  47           HN       MET  47  61.097  -3.240  -7.773
  361    HA   MET  47           HA       MET  47  61.791  -4.456 -10.342
  362   1HB   MET  47           HB2      MET  47  62.161  -2.169 -10.987
  363   2HB   MET  47           HB1      MET  47  60.780  -2.159  -9.889
  364   1HG   MET  47           HG2      MET  47  62.050  -0.453  -8.965
  365   2HG   MET  47           HG1      MET  47  62.665  -1.831  -8.054
  366   1HE   MET  47           HE1      MET  47  62.936   0.463 -10.971
  367   2HE   MET  47           HE3      MET  47  63.859   1.289  -9.708
  368   3HE   MET  47           HE2      MET  47  64.661   0.751 -11.182
  369    H    LEU  48           HN       LEU  48  63.519  -3.380  -7.454
  370    HA   LEU  48           HA       LEU  48  66.159  -3.249  -8.540
  371   1HB   LEU  48           HB2      LEU  48  64.840  -3.542  -5.892
  372   2HB   LEU  48           HB1      LEU  48  66.537  -4.015  -5.968
  373    HG   LEU  48           HG       LEU  48  65.558  -1.386  -7.090
  374   1HD1  LEU  48          HD13      LEU  48  66.562  -2.016  -4.299
  375   2HD1  LEU  48          HD12      LEU  48  66.415  -0.386  -4.955
  376   3HD1  LEU  48          HD11      LEU  48  64.975  -1.380  -4.729
  377   1HD2  LEU  48          HD21      LEU  48  68.144  -2.773  -6.697
  378   2HD2  LEU  48          HD23      LEU  48  67.694  -1.549  -7.884
  379   3HD2  LEU  48          HD22      LEU  48  68.135  -1.069  -6.246
  380    H    GLY  49           HN       GLY  49  64.185  -5.981  -7.480
  381   1HA   GLY  49           HA2      GLY  49  64.843  -8.120  -8.718
  382   2HA   GLY  49           HA1      GLY  49  66.474  -7.793  -8.133
  383    H    GLN  50           HN       GLN  50  64.148  -6.868  -5.850
  384    HA   GLN  50           HA       GLN  50  64.634  -9.401  -4.322
  385   1HB   GLN  50           HB2      GLN  50  63.988  -6.586  -3.382
  386   2HB   GLN  50           HB1      GLN  50  64.410  -7.952  -2.347
  387   1HG   GLN  50           HG2      GLN  50  66.273  -7.148  -4.561
  388   2HG   GLN  50           HG1      GLN  50  66.276  -6.237  -3.050
  389   1HE2  GLN  50          HE22      GLN  50  68.736  -8.903  -2.471
  390   2HE2  GLN  50          HE21      GLN  50  68.620  -7.455  -3.349
  391    H    ASN  51           HN       ASN  51  62.766  -9.704  -2.608
  392    HA   ASN  51           HA       ASN  51  60.114  -8.912  -3.714
  393   1HB   ASN  51           HB2      ASN  51  61.303 -11.264  -4.408
  394   2HB   ASN  51           HB1      ASN  51  60.438 -11.761  -2.953
  395   1HD2  ASN  51          HD22      ASN  51  58.368 -11.083  -6.354
  396   2HD2  ASN  51          HD21      ASN  51  60.064 -11.031  -6.308
  397    HA   PRO  52           HA       PRO  52  60.498  -9.109   0.954
  398   1HB   PRO  52           HB2      PRO  52  60.103  -6.446   1.440
  399   2HB   PRO  52           HB1      PRO  52  61.710  -7.149   1.165
  400   1HG   PRO  52           HG2      PRO  52  59.970  -5.617  -0.695
  401   2HG   PRO  52           HG1      PRO  52  61.731  -5.601  -0.522
  402   1HD   PRO  52           HD2      PRO  52  60.391  -6.936  -2.509
  403   2HD   PRO  52           HD1      PRO  52  62.010  -7.376  -1.925
  404    H    THR  53           HN       THR  53  58.687  -8.559   2.488
  405    HA   THR  53           HA       THR  53  56.074  -8.572   1.055
  406    HB   THR  53           HB       THR  53  55.581  -9.039   3.714
  407    HG1  THR  53           HG1      THR  53  57.292 -10.245   4.487
  408   1HG2  THR  53          HG21      THR  53  55.333 -10.413   1.406
  409   2HG2  THR  53          HG23      THR  53  56.619 -11.352   2.166
  410   3HG2  THR  53          HG22      THR  53  55.071 -11.149   2.988
  411    HA   PRO  54           HA       PRO  54  54.863  -4.622   2.533
  412   1HB   PRO  54           HB2      PRO  54  52.331  -5.024   3.489
  413   2HB   PRO  54           HB1      PRO  54  52.724  -5.053   1.759
  414   1HG   PRO  54           HG2      PRO  54  52.281  -7.316   3.635
  415   2HG   PRO  54           HG1      PRO  54  51.813  -7.147   1.937
  416   1HD   PRO  54           HD2      PRO  54  53.967  -8.606   2.784
  417   2HD   PRO  54           HD1      PRO  54  53.841  -7.870   1.171
  418    H    GLU  55           HN       GLU  55  54.170  -7.228   4.863
  419    HA   GLU  55           HA       GLU  55  54.078  -5.490   7.185
  420   1HB   GLU  55           HB2      GLU  55  53.934  -8.340   6.479
  421   2HB   GLU  55           HB1      GLU  55  54.682  -8.047   8.050
  422   1HG   GLU  55           HG2      GLU  55  52.655  -7.668   8.943
  423   2HG   GLU  55           HG1      GLU  55  52.419  -6.321   7.830
  424    H    GLU  56           HN       GLU  56  56.626  -7.235   5.481
  425    HA   GLU  56           HA       GLU  56  58.602  -6.875   7.620
  426   1HB   GLU  56           HB2      GLU  56  58.479  -7.974   4.829
  427   2HB   GLU  56           HB1      GLU  56  60.058  -7.634   5.538
  428   1HG   GLU  56           HG2      GLU  56  58.027  -9.184   7.118
  429   2HG   GLU  56           HG1      GLU  56  58.981 -10.003   5.880
  430    H    LEU  57           HN       LEU  57  57.625  -5.201   4.677
  431    HA   LEU  57           HA       LEU  57  59.761  -3.608   3.980
  432   1HB   LEU  57           HB2      LEU  57  56.952  -3.605   3.734
  433   2HB   LEU  57           HB1      LEU  57  57.376  -1.992   4.308
  434    HG   LEU  57           HG       LEU  57  59.075  -1.830   2.492
  435   1HD1  LEU  57          HD12      LEU  57  59.136  -4.453   2.360
  436   2HD1  LEU  57          HD11      LEU  57  57.801  -4.242   1.227
  437   3HD1  LEU  57          HD13      LEU  57  59.369  -3.508   0.889
  438   1HD2  LEU  57          HD23      LEU  57  56.168  -2.318   1.861
  439   2HD2  LEU  57          HD22      LEU  57  57.037  -0.786   1.938
  440   3HD2  LEU  57          HD21      LEU  57  57.301  -1.882   0.581
  441    H    GLN  58           HN       GLN  58  57.374  -2.527   6.432
  442    HA   GLN  58           HA       GLN  58  58.950  -0.367   7.428
  443   1HB   GLN  58           HB2      GLN  58  56.422  -1.148   7.684
  444   2HB   GLN  58           HB1      GLN  58  57.037  -1.894   9.159
  445   1HG   GLN  58           HG2      GLN  58  57.239   1.033   8.397
  446   2HG   GLN  58           HG1      GLN  58  56.251   0.348   9.687
  447   1HE2  GLN  58          HE22      GLN  58  60.170   1.109  10.361
  448   2HE2  GLN  58          HE21      GLN  58  59.436   1.480   8.876
  449    H    GLU  59           HN       GLU  59  58.277  -3.473   9.098
  450    HA   GLU  59           HA       GLU  59  60.072  -3.291  11.207
  451   1HB   GLU  59           HB2      GLU  59  58.519  -5.240   9.911
  452   2HB   GLU  59           HB1      GLU  59  60.144  -5.921   9.970
  453   1HG   GLU  59           HG2      GLU  59  59.661  -6.507  12.100
  454   2HG   GLU  59           HG1      GLU  59  59.844  -4.796  12.486
  455    H    MET  60           HN       MET  60  60.828  -3.849   7.814
  456    HA   MET  60           HA       MET  60  63.544  -4.779   8.224
  457   1HB   MET  60           HB2      MET  60  61.731  -3.965   6.033
  458   2HB   MET  60           HB1      MET  60  63.448  -3.737   5.698
  459   1HG   MET  60           HG2      MET  60  63.705  -6.156   6.643
  460   2HG   MET  60           HG1      MET  60  61.973  -6.282   6.331
  461   1HE   MET  60           HE2      MET  60  63.790  -8.067   5.483
  462   2HE   MET  60           HE1      MET  60  62.928  -8.421   3.987
  463   3HE   MET  60           HE3      MET  60  64.636  -7.965   3.941
  464    H    ILE  61           HN       ILE  61  62.636  -1.785   6.518
  465    HA   ILE  61           HA       ILE  61  64.970  -0.352   6.704
  466    HB   ILE  61           HB       ILE  61  62.109   0.569   7.101
  467   1HG1  ILE  61          HG12      ILE  61  63.824   0.725   4.616
  468   2HG1  ILE  61          HG11      ILE  61  62.859  -0.705   4.984
  469   1HG2  ILE  61          HG23      ILE  61  63.733   2.280   7.874
  470   2HG2  ILE  61          HG22      ILE  61  64.557   2.184   6.318
  471   3HG2  ILE  61          HG21      ILE  61  62.903   2.788   6.404
  472   1HD1  ILE  61          HD12      ILE  61  61.313   1.742   5.313
  473   2HD1  ILE  61          HD11      ILE  61  61.962   1.598   3.680
  474   3HD1  ILE  61          HD13      ILE  61  60.951   0.315   4.342
  475    H    ASP  62           HN       ASP  62  62.790  -1.061   9.371
  476    HA   ASP  62           HA       ASP  62  63.722   0.926  11.222
  477   1HB   ASP  62           HB2      ASP  62  61.705  -0.813  11.161
  478   2HB   ASP  62           HB1      ASP  62  62.835  -1.801  12.089
  479    H    GLU  63           HN       GLU  63  65.359  -1.719   9.864
  480    HA   GLU  63           HA       GLU  63  67.015  -2.320  12.232
  481   1HB   GLU  63           HB2      GLU  63  67.927  -4.024  10.815
  482   2HB   GLU  63           HB1      GLU  63  66.208  -3.949  10.427
  483   1HG   GLU  63           HG2      GLU  63  66.890  -2.271   8.585
  484   2HG   GLU  63           HG1      GLU  63  68.534  -2.853   8.846
  485    H    VAL  64           HN       VAL  64  67.223  -0.415   9.264
  486    HA   VAL  64           HA       VAL  64  70.056   0.290   9.937
  487    HB   VAL  64           HB       VAL  64  69.567  -0.684   7.711
  488   1HG1  VAL  64          HG12      VAL  64  67.598   1.588   7.664
  489   2HG1  VAL  64          HG11      VAL  64  68.281   0.988   6.153
  490   3HG1  VAL  64          HG13      VAL  64  67.362  -0.096   7.197
  491   1HG2  VAL  64          HG23      VAL  64  70.522   2.139   8.016
  492   2HG2  VAL  64          HG22      VAL  64  71.419   0.703   7.524
  493   3HG2  VAL  64          HG21      VAL  64  70.327   1.493   6.385
  494    H    ASP  65           HN       ASP  65  66.819   1.535   9.792
  495    HA   ASP  65           HA       ASP  65  67.199   4.287   9.330
  496   1HB   ASP  65           HB2      ASP  65  65.155   2.627  10.023
  497   2HB   ASP  65           HB1      ASP  65  65.382   3.498  11.539
  498    H    GLU  66           HN       GLU  66  69.289   4.842  10.296
  499    HA   GLU  66           HA       GLU  66  69.802   4.559  13.131
  500   1HB   GLU  66           HB2      GLU  66  70.971   6.031  10.784
  501   2HB   GLU  66           HB1      GLU  66  71.557   6.389  12.409
  502   1HG   GLU  66           HG2      GLU  66  72.350   4.199  12.742
  503   2HG   GLU  66           HG1      GLU  66  71.346   3.542  11.449
  504    H    ASP  67           HN       ASP  67  68.710   7.283  11.084
  505    HA   ASP  67           HA       ASP  67  68.473   9.119  13.341
  506   1HB   ASP  67           HB2      ASP  67  67.456  10.557  11.579
  507   2HB   ASP  67           HB1      ASP  67  68.970   9.832  11.038
  508    H    GLY  68           HN       GLY  68  66.674   6.458  12.500
  509   1HA   GLY  68           HA2      GLY  68  64.438   5.808  12.864
  510   2HA   GLY  68           HA1      GLY  68  64.586   6.818  14.304
  511    H    SER  69           HN       SER  69  64.460   7.558  10.802
  512    HA   SER  69           HA       SER  69  62.490   9.712  11.416
  513   1HB   SER  69           HB2      SER  69  63.119  10.153   8.888
  514   2HB   SER  69           HB1      SER  69  64.268  10.558  10.159
  515    HG   SER  69           HG       SER  69  64.182   8.212   8.561
  516    H    GLY  70           HN       GLY  70  62.931   6.819   9.393
  517   1HA   GLY  70           HA2      GLY  70  60.880   5.400   9.097
  518   2HA   GLY  70           HA1      GLY  70  59.995   6.901   8.818
  519    H    THR  71           HN       THR  71  62.350   7.982   7.266
  520    HA   THR  71           HA       THR  71  61.627   6.708   4.676
  521    HB   THR  71           HB       THR  71  62.387   8.779   3.743
  522    HG1  THR  71           HG1      THR  71  64.282   9.176   4.688
  523   1HG2  THR  71          HG23      THR  71  60.423   8.697   5.661
  524   2HG2  THR  71          HG22      THR  71  61.451  10.003   6.251
  525   3HG2  THR  71          HG21      THR  71  60.761  10.087   4.629
  526    H    VAL  72           HN       VAL  72  63.438   6.326   3.105
  527    HA   VAL  72           HA       VAL  72  65.920   5.423   4.520
  528    HB   VAL  72           HB       VAL  72  64.739   4.416   1.918
  529   1HG1  VAL  72          HG11      VAL  72  67.210   4.015   3.031
  530   2HG1  VAL  72          HG13      VAL  72  66.300   2.657   3.694
  531   3HG1  VAL  72          HG12      VAL  72  66.406   2.878   1.947
  532   1HG2  VAL  72          HG23      VAL  72  63.653   4.167   4.529
  533   2HG2  VAL  72          HG22      VAL  72  63.163   3.294   3.077
  534   3HG2  VAL  72          HG21      VAL  72  64.393   2.614   4.142
  535    H    ASP  73           HN       ASP  73  67.463   6.985   4.121
  536    HA   ASP  73           HA       ASP  73  67.516   8.429   1.541
  537   1HB   ASP  73           HB2      ASP  73  68.702   8.619   4.263
  538   2HB   ASP  73           HB1      ASP  73  69.673   9.281   2.947
  539    H    PHE  74           HN       PHE  74  69.784   8.627   0.498
  540    HA   PHE  74           HA       PHE  74  70.699   6.264  -0.612
  541   1HB   PHE  74           HB2      PHE  74  71.351   8.879  -0.765
  542   2HB   PHE  74           HB1      PHE  74  72.757   8.291   0.122
  543    HD1  PHE  74           HD2      PHE  74  72.664   5.440  -1.077
  544    HD2  PHE  74           HD1      PHE  74  72.519   9.353  -2.840
  545    HE1  PHE  74           HE2      PHE  74  73.614   4.528  -3.179
  546    HE2  PHE  74           HE1      PHE  74  73.470   8.441  -4.942
  547    HZ   PHE  74           HZ       PHE  74  74.017   6.029  -5.111
  548    H    ASP  75           HN       ASP  75  72.042   7.806   2.334
  549    HA   ASP  75           HA       ASP  75  74.040   5.927   2.956
  550   1HB   ASP  75           HB2      ASP  75  72.428   7.982   4.284
  551   2HB   ASP  75           HB1      ASP  75  72.939   6.705   5.389
  552    H    GLU  76           HN       GLU  76  70.562   5.829   3.775
  553    HA   GLU  76           HA       GLU  76  70.848   3.215   5.105
  554   1HB   GLU  76           HB2      GLU  76  68.618   5.155   4.491
  555   2HB   GLU  76           HB1      GLU  76  68.280   3.565   5.175
  556   1HG   GLU  76           HG2      GLU  76  69.747   4.040   7.079
  557   2HG   GLU  76           HG1      GLU  76  70.163   5.609   6.386
  558    H    PHE  77           HN       PHE  77  69.121   4.476   2.222
  559    HA   PHE  77           HA       PHE  77  67.966   2.204   1.175
  560   1HB   PHE  77           HB2      PHE  77  68.102   4.567   0.241
  561   2HB   PHE  77           HB1      PHE  77  69.672   4.127  -0.430
  562    HD1  PHE  77           HD1      PHE  77  66.382   2.338  -0.132
  563    HD2  PHE  77           HD2      PHE  77  69.519   3.721  -2.720
  564    HE1  PHE  77           HE1      PHE  77  65.256   1.272  -2.067
  565    HE2  PHE  77           HE2      PHE  77  68.394   2.654  -4.655
  566    HZ   PHE  77           HZ       PHE  77  66.262   1.430  -4.328
  567    H    LEU  78           HN       LEU  78  71.429   3.010   1.129
  568    HA   LEU  78           HA       LEU  78  72.210   0.766  -0.539
  569   1HB   LEU  78           HB2      LEU  78  73.413   2.967   1.007
  570   2HB   LEU  78           HB1      LEU  78  74.419   1.520   0.929
  571    HG   LEU  78           HG       LEU  78  73.213   2.976  -1.443
  572   1HD1  LEU  78          HD13      LEU  78  75.575   3.451   0.046
  573   2HD1  LEU  78          HD12      LEU  78  76.079   2.680  -1.459
  574   3HD1  LEU  78          HD11      LEU  78  75.123   4.161  -1.504
  575   1HD2  LEU  78          HD22      LEU  78  74.505   0.321  -1.089
  576   2HD2  LEU  78          HD21      LEU  78  73.334   0.848  -2.297
  577   3HD2  LEU  78          HD23      LEU  78  75.038   1.267  -2.480
  578    H    VAL  79           HN       VAL  79  72.799   1.382   2.955
  579    HA   VAL  79           HA       VAL  79  73.709  -1.165   3.689
  580    HB   VAL  79           HB       VAL  79  71.874   0.728   5.200
  581   1HG1  VAL  79          HG12      VAL  79  73.377  -1.724   5.935
  582   2HG1  VAL  79          HG11      VAL  79  73.522  -0.369   7.054
  583   3HG1  VAL  79          HG13      VAL  79  71.933  -1.027   6.668
  584   1HG2  VAL  79          HG22      VAL  79  74.344   1.280   4.120
  585   2HG2  VAL  79          HG21      VAL  79  73.669   2.084   5.538
  586   3HG2  VAL  79          HG23      VAL  79  74.772   0.722   5.738
  587    H    MET  80           HN       MET  80  70.312  -0.012   3.669
  588    HA   MET  80           HA       MET  80  68.991  -2.319   4.534
  589   1HB   MET  80           HB2      MET  80  68.398   0.133   3.296
  590   2HB   MET  80           HB1      MET  80  67.688  -1.089   2.241
  591   1HG   MET  80           HG2      MET  80  67.286  -1.452   5.169
  592   2HG   MET  80           HG1      MET  80  66.399  -0.135   4.401
  593   1HE   MET  80           HE1      MET  80  65.579  -0.400   2.067
  594   2HE   MET  80           HE3      MET  80  64.486  -1.702   1.578
  595   3HE   MET  80           HE2      MET  80  64.062  -0.650   2.926
  596    H    MET  81           HN       MET  81  70.342  -1.616   1.326
  597    HA   MET  81           HA       MET  81  69.279  -3.974   0.022
  598   1HB   MET  81           HB2      MET  81  71.010  -1.688  -0.512
  599   2HB   MET  81           HB1      MET  81  71.627  -3.154  -1.273
  600   1HG   MET  81           HG2      MET  81  69.408  -3.552  -2.293
  601   2HG   MET  81           HG1      MET  81  68.810  -2.067  -1.552
  602   1HE   MET  81           HE1      MET  81  69.208  -0.092  -1.866
  603   2HE   MET  81           HE3      MET  81  70.629   0.655  -2.609
  604   3HE   MET  81           HE2      MET  81  69.144   0.466  -3.537
  605    H    VAL  82           HN       VAL  82  72.682  -3.204   0.837
  606    HA   VAL  82           HA       VAL  82  73.754  -5.789   0.574
  607    HB   VAL  82           HB       VAL  82  75.089  -3.775   0.859
  608   1HG1  VAL  82          HG13      VAL  82  73.880  -3.686   3.640
  609   2HG1  VAL  82          HG12      VAL  82  75.163  -2.625   3.058
  610   3HG1  VAL  82          HG11      VAL  82  73.558  -2.547   2.333
  611   1HG2  VAL  82          HG21      VAL  82  75.486  -6.171   2.331
  612   2HG2  VAL  82          HG23      VAL  82  76.713  -5.023   1.792
  613   3HG2  VAL  82          HG22      VAL  82  75.969  -4.837   3.381
  614    H    ARG  83           HN       ARG  83  71.954  -4.370   3.269
  615    HA   ARG  83           HA       ARG  83  72.520  -6.439   5.203
  616   1HB   ARG  83           HB2      ARG  83  70.445  -4.288   4.802
  617   2HB   ARG  83           HB1      ARG  83  70.295  -5.425   6.141
  618   1HG   ARG  83           HG2      ARG  83  72.810  -4.798   6.587
  619   2HG   ARG  83           HG1      ARG  83  72.417  -3.359   5.644
  620   1HD   ARG  83           HD2      ARG  83  70.777  -2.641   7.200
  621   2HD   ARG  83           HD1      ARG  83  70.679  -4.244   7.960
  622    HE   ARG  83           HE       ARG  83  73.314  -2.893   8.040
  623   1HH1  ARG  83          HH21      ARG  83  70.574  -2.153   9.661
  624   2HH1  ARG  83          HH22      ARG  83  71.096  -2.676  11.227
  625   1HH2  ARG  83          HH11      ARG  83  73.928  -4.287  10.036
  626   2HH2  ARG  83          HH12      ARG  83  72.995  -3.884  11.440
  627    H    CYS  84           HN       CYS  84  70.217  -6.109   2.571
  628    HA   CYS  84           HA       CYS  84  68.813  -8.608   3.417
  629   1HB   CYS  84           HB2      CYS  84  68.229  -6.249   1.640
  630   2HB   CYS  84           HB1      CYS  84  67.329  -7.749   1.420
  631    HG   CYS  84           HG       CYS  84  67.408  -6.441   4.251
  632    H    MET  85           HN       MET  85  71.540  -8.077   1.860
  633    HA   MET  85           HA       MET  85  70.962  -9.573  -0.638
  634   1HB   MET  85           HB2      MET  85  73.285  -8.059   0.551
  635   2HB   MET  85           HB1      MET  85  73.512  -9.089  -0.864
  636   1HG   MET  85           HG2      MET  85  71.243  -7.677  -1.533
  637   2HG   MET  85           HG1      MET  85  72.184  -6.475  -0.649
  638   1HE   MET  85           HE2      MET  85  73.072  -5.043  -1.593
  639   2HE   MET  85           HE1      MET  85  74.545  -5.132  -2.554
  640   3HE   MET  85           HE3      MET  85  72.979  -4.917  -3.347
  641    H    LYS  86           HN       LYS  86  73.054  -9.868   2.259
  642    HA   LYS  86           HA       LYS  86  73.969 -11.798   3.277
  643   1HB   LYS  86           HB2      LYS  86  71.423 -12.290   2.936
  644   2HB   LYS  86           HB1      LYS  86  71.970 -13.357   1.643
  645   1HG   LYS  86           HG2      LYS  86  73.552 -14.400   3.356
  646   2HG   LYS  86           HG1      LYS  86  72.647 -13.516   4.586
  647   1HD   LYS  86           HD2      LYS  86  70.724 -14.769   4.272
  648   2HD   LYS  86           HD1      LYS  86  71.117 -15.145   2.595
  649   1HE   LYS  86           HE2      LYS  86  71.438 -17.188   3.826
  650   2HE   LYS  86           HE1      LYS  86  73.066 -16.545   3.531
  651   1HZ   LYS  86           HZ3      LYS  86  71.438 -16.035   5.966
  652   2HZ   LYS  86           HZ2      LYS  86  72.742 -17.120   5.875
  653   3HZ   LYS  86           HZ1      LYS  86  73.004 -15.453   5.675
  654    H    ASP  87           HN       ASP  87  75.873 -11.344   1.794
  655    HA   ASP  87           HA       ASP  87  76.109 -12.887  -0.681
  656   1HB   ASP  87           HB2      ASP  87  78.339 -11.882  -0.707
  657   2HB   ASP  87           HB1      ASP  87  77.163 -10.661  -0.220
  658    H    ASP  88           HN       ASP  88  75.571 -14.999   0.572
  659    HA   ASP  88           HA       ASP  88  77.481 -16.120   2.415
  660   1HB   ASP  88           HB2      ASP  88  76.230 -18.184   1.949
  661   2HB   ASP  88           HB1      ASP  88  75.113 -16.828   2.098
  662    H    SER  89           HN       SER  89  78.683 -18.242   1.758
  663    HA   SER  89           HA       SER  89  80.667 -17.641  -0.214
  664   1HB   SER  89           HB2      SER  89  79.811 -20.267   1.045
  665   2HB   SER  89           HB1      SER  89  81.352 -19.981   0.241
  666    HG   SER  89           HG       SER  89  81.334 -19.734   2.588
   
  No H/Q in entry =         666
  Start of MODEL   19
    1   1H    MET   1           HT2      MET   1  84.511  -0.398  16.166
    2   2H    MET   1           HT1      MET   1  86.064  -1.035  16.426
    3   3H    MET   1           HT3      MET   1  85.355  -1.134  14.889
    4    HA   MET   1           HA       MET   1  85.209  -3.285  15.956
    5   1HB   MET   1           HB2      MET   1  84.044  -1.519  18.121
    6   2HB   MET   1           HB1      MET   1  83.838  -3.271  18.129
    7   1HG   MET   1           HG2      MET   1  86.313  -3.532  18.032
    8   2HG   MET   1           HG1      MET   1  86.478  -1.779  18.128
    9   1HE   MET   1           HE1      MET   1  86.344  -4.914  19.484
   10   2HE   MET   1           HE3      MET   1  86.411  -4.763  21.246
   11   3HE   MET   1           HE2      MET   1  84.858  -4.932  20.431
   12    H    ASP   2           HN       ASP   2  82.637  -0.807  16.261
   13    HA   ASP   2           HA       ASP   2  80.656  -2.710  15.137
   14   1HB   ASP   2           HB2      ASP   2  80.534  -0.895  17.127
   15   2HB   ASP   2           HB1      ASP   2  80.015   0.128  15.786
   16    H    ASP   3           HN       ASP   3  81.846  -2.649  12.981
   17    HA   ASP   3           HA       ASP   3  80.657  -0.545  11.271
   18   1HB   ASP   3           HB2      ASP   3  83.294  -0.406  12.307
   19   2HB   ASP   3           HB1      ASP   3  83.449  -0.829  10.601
   20    H    ILE   4           HN       ILE   4  80.890  -3.656  11.735
   21    HA   ILE   4           HA       ILE   4  82.130  -4.855   9.478
   22    HB   ILE   4           HB       ILE   4  79.585  -5.671  10.920
   23   1HG1  ILE   4          HG12      ILE   4  82.172  -6.827  11.743
   24   2HG1  ILE   4          HG11      ILE   4  81.997  -5.110  12.108
   25   1HG2  ILE   4          HG21      ILE   4  80.320  -6.902   8.795
   26   2HG2  ILE   4          HG23      ILE   4  81.731  -7.427   9.714
   27   3HG2  ILE   4          HG22      ILE   4  80.113  -7.894  10.239
   28   1HD1  ILE   4          HD12      ILE   4  79.545  -6.498  12.735
   29   2HD1  ILE   4          HD11      ILE   4  80.902  -7.281  13.547
   30   3HD1  ILE   4          HD13      ILE   4  80.591  -5.564  13.805
   31    H    TYR   5           HN       TYR   5  78.706  -3.885   9.905
   32    HA   TYR   5           HA       TYR   5  77.898  -4.477   7.218
   33   1HB   TYR   5           HB2      TYR   5  76.905  -2.794   9.509
   34   2HB   TYR   5           HB1      TYR   5  76.076  -2.727   7.952
   35    HD1  TYR   5           HD2      TYR   5  76.955  -4.862  10.827
   36    HD2  TYR   5           HD1      TYR   5  74.898  -4.667   7.060
   37    HE1  TYR   5           HE2      TYR   5  75.799  -6.993  11.347
   38    HE2  TYR   5           HE1      TYR   5  73.743  -6.800   7.580
   39    HH   TYR   5           HH       TYR   5  74.050  -8.759   8.994
   40    H    LYS   6           HN       LYS   6  78.897  -1.401   8.763
   41    HA   LYS   6           HA       LYS   6  78.582   0.381   6.634
   42   1HB   LYS   6           HB2      LYS   6  80.873   0.124   8.614
   43   2HB   LYS   6           HB1      LYS   6  80.474   1.588   7.713
   44   1HG   LYS   6           HG2      LYS   6  78.050   0.840   8.859
   45   2HG   LYS   6           HG1      LYS   6  79.234   0.506  10.124
   46   1HD   LYS   6           HD2      LYS   6  79.160   2.713  10.595
   47   2HD   LYS   6           HD1      LYS   6  80.057   2.953   9.095
   48   1HE   LYS   6           HE2      LYS   6  77.769   2.949   7.909
   49   2HE   LYS   6           HE1      LYS   6  77.069   3.143   9.529
   50   1HZ   LYS   6           HZ2      LYS   6  78.724   4.983   9.852
   51   2HZ   LYS   6           HZ1      LYS   6  79.045   4.901   8.186
   52   3HZ   LYS   6           HZ3      LYS   6  77.493   5.315   8.730
   53    H    ALA   7           HN       ALA   7  81.136  -2.030   7.133
   54    HA   ALA   7           HA       ALA   7  82.875  -1.189   5.008
   55   1HB   ALA   7           HB3      ALA   7  82.345  -3.805   6.441
   56   2HB   ALA   7           HB2      ALA   7  83.644  -3.617   5.263
   57   3HB   ALA   7           HB1      ALA   7  83.651  -2.657   6.742
   58    H    ALA   8           HN       ALA   8  80.239  -3.604   5.126
   59    HA   ALA   8           HA       ALA   8  80.436  -4.661   2.527
   60   1HB   ALA   8           HB1      ALA   8  78.690  -4.720   4.709
   61   2HB   ALA   8           HB3      ALA   8  77.694  -4.128   3.380
   62   3HB   ALA   8           HB2      ALA   8  78.533  -5.671   3.232
   63    H    VAL   9           HN       VAL   9  78.305  -1.939   3.513
   64    HA   VAL   9           HA       VAL   9  77.406  -1.154   0.976
   65    HB   VAL   9           HB       VAL   9  78.148   0.470   3.430
   66   1HG1  VAL   9          HG13      VAL   9  77.312   1.333   0.815
   67   2HG1  VAL   9          HG12      VAL   9  76.021   1.656   1.972
   68   3HG1  VAL   9          HG11      VAL   9  77.634   2.313   2.246
   69   1HG2  VAL   9          HG22      VAL   9  76.337  -1.483   3.335
   70   2HG2  VAL   9          HG21      VAL   9  76.017   0.010   4.216
   71   3HG2  VAL   9          HG23      VAL   9  75.356  -0.217   2.597
   72    H    GLU  10           HN       GLU  10  80.401  -0.145   2.649
   73    HA   GLU  10           HA       GLU  10  81.289   1.534   0.434
   74   1HB   GLU  10           HB2      GLU  10  81.989   2.142   2.611
   75   2HB   GLU  10           HB1      GLU  10  82.427   0.484   3.025
   76   1HG   GLU  10           HG2      GLU  10  84.460   0.614   1.980
   77   2HG   GLU  10           HG1      GLU  10  83.857   1.683   0.713
   78    H    GLN  11           HN       GLN  11  81.659  -1.824   1.366
   79    HA   GLN  11           HA       GLN  11  84.025  -2.441  -0.145
   80   1HB   GLN  11           HB2      GLN  11  81.929  -3.743   1.391
   81   2HB   GLN  11           HB1      GLN  11  82.357  -4.702  -0.027
   82   1HG   GLN  11           HG2      GLN  11  83.758  -5.242   1.974
   83   2HG   GLN  11           HG1      GLN  11  84.707  -4.672   0.602
   84   1HE2  GLN  11          HE22      GLN  11  85.864  -2.783   3.602
   85   2HE2  GLN  11          HE21      GLN  11  85.855  -4.413   3.131
   86    H    LEU  12           HN       LEU  12  80.767  -1.778  -1.097
   87    HA   LEU  12           HA       LEU  12  80.651  -3.333  -3.521
   88   1HB   LEU  12           HB2      LEU  12  79.311  -0.711  -2.777
   89   2HB   LEU  12           HB1      LEU  12  78.750  -1.857  -3.995
   90    HG   LEU  12           HG       LEU  12  78.989  -2.383  -1.018
   91   1HD1  LEU  12          HD13      LEU  12  76.881  -1.349  -2.711
   92   2HD1  LEU  12          HD12      LEU  12  76.393  -2.884  -1.994
   93   3HD1  LEU  12          HD11      LEU  12  76.897  -1.549  -0.959
   94   1HD2  LEU  12          HD22      LEU  12  78.812  -4.151  -3.356
   95   2HD2  LEU  12          HD21      LEU  12  79.230  -4.538  -1.687
   96   3HD2  LEU  12          HD23      LEU  12  77.537  -4.438  -2.172
   97    H    THR  13           HN       THR  13  80.937  -2.535  -5.715
   98    HA   THR  13           HA       THR  13  83.252  -0.790  -6.037
   99    HB   THR  13           HB       THR  13  82.572  -1.240  -8.511
  100    HG1  THR  13           HG1      THR  13  80.408  -1.761  -8.019
  101   1HG2  THR  13          HG21      THR  13  83.449  -3.204  -6.436
  102   2HG2  THR  13          HG23      THR  13  83.111  -3.804  -8.059
  103   3HG2  THR  13          HG22      THR  13  84.337  -2.560  -7.817
  104    H    GLU  14           HN       GLU  14  83.198   1.171  -7.413
  105    HA   GLU  14           HA       GLU  14  81.223   3.075  -6.641
  106   1HB   GLU  14           HB2      GLU  14  82.355   4.478  -8.297
  107   2HB   GLU  14           HB1      GLU  14  83.554   3.505  -7.444
  108   1HG   GLU  14           HG2      GLU  14  83.539   1.866  -9.294
  109   2HG   GLU  14           HG1      GLU  14  82.359   2.855 -10.154
  110    H    GLU  15           HN       GLU  15  81.537   1.096  -9.590
  111    HA   GLU  15           HA       GLU  15  79.465   2.238 -11.141
  112   1HB   GLU  15           HB2      GLU  15  79.382  -0.167 -12.061
  113   2HB   GLU  15           HB1      GLU  15  80.955   0.631 -12.086
  114   1HG   GLU  15           HG2      GLU  15  81.830  -0.932 -10.723
  115   2HG   GLU  15           HG1      GLU  15  80.547  -0.675  -9.540
  116    H    GLN  16           HN       GLN  16  79.289   0.341  -8.238
  117    HA   GLN  16           HA       GLN  16  76.558  -0.615  -8.624
  118   1HB   GLN  16           HB2      GLN  16  78.273  -1.737  -7.230
  119   2HB   GLN  16           HB1      GLN  16  78.309  -0.335  -6.160
  120   1HG   GLN  16           HG2      GLN  16  76.725  -1.475  -4.988
  121   2HG   GLN  16           HG1      GLN  16  75.629  -0.871  -6.232
  122   1HE2  GLN  16          HE22      GLN  16  76.712  -4.822  -6.237
  123   2HE2  GLN  16          HE21      GLN  16  77.550  -3.715  -5.259
  124    H    LYS  17           HN       LYS  17  77.863   1.578  -6.110
  125    HA   LYS  17           HA       LYS  17  75.391   2.730  -5.361
  126   1HB   LYS  17           HB2      LYS  17  78.218   3.834  -5.381
  127   2HB   LYS  17           HB1      LYS  17  76.883   4.546  -4.475
  128   1HG   LYS  17           HG2      LYS  17  77.243   3.093  -2.800
  129   2HG   LYS  17           HG1      LYS  17  76.927   1.751  -3.901
  130   1HD   LYS  17           HD2      LYS  17  79.108   1.281  -3.235
  131   2HD   LYS  17           HD1      LYS  17  79.394   2.216  -4.703
  132   1HE   LYS  17           HE2      LYS  17  79.168   3.671  -2.079
  133   2HE   LYS  17           HE1      LYS  17  80.691   2.863  -2.500
  134   1HZ   LYS  17           HZ2      LYS  17  80.576   3.971  -4.686
  135   2HZ   LYS  17           HZ1      LYS  17  79.218   4.844  -4.156
  136   3HZ   LYS  17           HZ3      LYS  17  80.720   5.075  -3.403
  137    H    ASN  18           HN       ASN  18  77.448   3.377  -8.121
  138    HA   ASN  18           HA       ASN  18  76.479   5.992  -8.803
  139   1HB   ASN  18           HB2      ASN  18  78.001   3.761 -10.002
  140   2HB   ASN  18           HB1      ASN  18  77.167   4.785 -11.173
  141   1HD2  ASN  18          HD22      ASN  18  80.567   6.229 -10.238
  142   2HD2  ASN  18          HD21      ASN  18  80.100   4.665 -10.706
  143    H    GLU  19           HN       GLU  19  75.421   2.719  -9.770
  144    HA   GLU  19           HA       GLU  19  73.305   3.635 -11.520
  145   1HB   GLU  19           HB2      GLU  19  74.215   1.094 -10.223
  146   2HB   GLU  19           HB1      GLU  19  72.594   1.132 -10.918
  147   1HG   GLU  19           HG2      GLU  19  74.403   2.376 -12.762
  148   2HG   GLU  19           HG1      GLU  19  75.069   0.812 -12.288
  149    H    PHE  20           HN       PHE  20  73.377   2.509  -8.124
  150    HA   PHE  20           HA       PHE  20  70.553   2.665  -7.660
  151   1HB   PHE  20           HB2      PHE  20  73.039   2.805  -5.945
  152   2HB   PHE  20           HB1      PHE  20  71.426   2.876  -5.235
  153    HD1  PHE  20           HD1      PHE  20  69.744   1.010  -6.064
  154    HD2  PHE  20           HD2      PHE  20  74.024   0.715  -6.294
  155    HE1  PHE  20           HE1      PHE  20  69.566  -1.459  -6.216
  156    HE2  PHE  20           HE2      PHE  20  73.846  -1.753  -6.448
  157    HZ   PHE  20           HZ       PHE  20  71.617  -2.840  -6.408
  158    H    LYS  21           HN       LYS  21  73.151   5.071  -7.442
  159    HA   LYS  21           HA       LYS  21  71.861   7.151  -6.056
  160   1HB   LYS  21           HB2      LYS  21  74.212   7.128  -6.811
  161   2HB   LYS  21           HB1      LYS  21  73.680   7.260  -8.488
  162   1HG   LYS  21           HG2      LYS  21  73.756   9.500  -8.230
  163   2HG   LYS  21           HG1      LYS  21  72.362   9.345  -7.160
  164   1HD   LYS  21           HD2      LYS  21  73.869   9.014  -5.236
  165   2HD   LYS  21           HD1      LYS  21  75.265   9.172  -6.302
  166   1HE   LYS  21           HE2      LYS  21  74.452  11.472  -6.929
  167   2HE   LYS  21           HE1      LYS  21  73.199  11.308  -5.683
  168   1HZ   LYS  21           HZ1      LYS  21  75.182  10.572  -4.219
  169   2HZ   LYS  21           HZ3      LYS  21  76.128  11.392  -5.364
  170   3HZ   LYS  21           HZ2      LYS  21  74.933  12.230  -4.495
  171    H    ALA  22           HN       ALA  22  71.896   6.680  -9.616
  172    HA   ALA  22           HA       ALA  22  70.038   8.724 -10.264
  173   1HB   ALA  22           HB3      ALA  22  71.190   6.278 -11.462
  174   2HB   ALA  22           HB2      ALA  22  69.645   6.772 -12.153
  175   3HB   ALA  22           HB1      ALA  22  71.010   7.889 -12.157
  176    H    ALA  23           HN       ALA  23  69.415   5.212  -9.863
  177    HA   ALA  23           HA       ALA  23  66.602   5.270 -10.105
  178   1HB   ALA  23           HB2      ALA  23  68.155   3.287  -9.997
  179   2HB   ALA  23           HB1      ALA  23  68.285   3.548  -8.257
  180   3HB   ALA  23           HB3      ALA  23  66.730   3.119  -8.970
  181    H    PHE  24           HN       PHE  24  68.631   5.723  -7.197
  182    HA   PHE  24           HA       PHE  24  66.707   5.852  -5.186
  183   1HB   PHE  24           HB2      PHE  24  69.061   6.072  -4.734
  184   2HB   PHE  24           HB1      PHE  24  69.175   7.522  -5.733
  185    HD1  PHE  24           HD1      PHE  24  68.016   6.146  -2.517
  186    HD2  PHE  24           HD2      PHE  24  68.333   9.673  -4.949
  187    HE1  PHE  24           HE1      PHE  24  67.466   7.552  -0.550
  188    HE2  PHE  24           HE2      PHE  24  67.783  11.078  -2.980
  189    HZ   PHE  24           HZ       PHE  24  67.348  10.018  -0.781
  190    H    ASP  25           HN       ASP  25  67.695   8.517  -7.362
  191    HA   ASP  25           HA       ASP  25  65.815  10.434  -6.307
  192   1HB   ASP  25           HB2      ASP  25  67.902  10.233  -8.246
  193   2HB   ASP  25           HB1      ASP  25  66.493  10.930  -9.046
  194    H    ILE  26           HN       ILE  26  65.341   7.654  -8.218
  195    HA   ILE  26           HA       ILE  26  63.065   8.718  -9.756
  196    HB   ILE  26           HB       ILE  26  64.246   5.949  -9.395
  197   1HG1  ILE  26          HG12      ILE  26  64.686   8.220 -11.334
  198   2HG1  ILE  26          HG11      ILE  26  65.887   7.268 -10.465
  199   1HG2  ILE  26          HG21      ILE  26  61.743   6.646 -10.389
  200   2HG2  ILE  26          HG23      ILE  26  62.742   6.509 -11.836
  201   3HG2  ILE  26          HG22      ILE  26  62.607   5.145 -10.726
  202   1HD1  ILE  26          HD11      ILE  26  65.168   5.268 -11.815
  203   2HD1  ILE  26          HD13      ILE  26  64.153   6.349 -12.769
  204   3HD1  ILE  26          HD12      ILE  26  65.905   6.552 -12.773
  205    H    PHE  27           HN       PHE  27  63.627   6.948  -6.764
  206    HA   PHE  27           HA       PHE  27  60.830   6.074  -6.523
  207   1HB   PHE  27           HB2      PHE  27  63.117   6.106  -4.527
  208   2HB   PHE  27           HB1      PHE  27  61.644   5.140  -4.418
  209    HD1  PHE  27           HD2      PHE  27  61.158   3.857  -6.817
  210    HD2  PHE  27           HD1      PHE  27  64.994   4.910  -5.199
  211    HE1  PHE  27           HE2      PHE  27  62.219   2.071  -8.172
  212    HE2  PHE  27           HE1      PHE  27  66.056   3.125  -6.553
  213    HZ   PHE  27           HZ       PHE  27  64.668   1.705  -8.040
  214    H    VAL  28           HN       VAL  28  62.881   8.698  -5.326
  215    HA   VAL  28           HA       VAL  28  61.064   9.650  -3.297
  216    HB   VAL  28           HB       VAL  28  62.576  11.544  -3.274
  217   1HG1  VAL  28          HG12      VAL  28  63.383   9.062  -2.776
  218   2HG1  VAL  28          HG11      VAL  28  64.421   9.366  -4.170
  219   3HG1  VAL  28          HG13      VAL  28  64.524  10.407  -2.750
  220   1HG2  VAL  28          HG21      VAL  28  62.774  10.879  -6.111
  221   2HG2  VAL  28          HG23      VAL  28  63.131  12.400  -5.292
  222   3HG2  VAL  28          HG22      VAL  28  64.358  11.137  -5.380
  223    H    LEU  29           HN       LEU  29  60.806   9.612  -6.659
  224    HA   LEU  29           HA       LEU  29  59.849  12.048  -7.540
  225   1HB   LEU  29           HB2      LEU  29  59.250   9.184  -8.021
  226   2HB   LEU  29           HB1      LEU  29  58.035  10.318  -8.615
  227    HG   LEU  29           HG       LEU  29  59.891   9.761 -10.263
  228   1HD1  LEU  29          HD11      LEU  29  58.914  12.412  -9.422
  229   2HD1  LEU  29          HD13      LEU  29  60.383  12.459 -10.397
  230   3HD1  LEU  29          HD12      LEU  29  58.933  11.676 -11.024
  231   1HD2  LEU  29          HD23      LEU  29  61.687   9.792  -8.481
  232   2HD2  LEU  29          HD22      LEU  29  62.068  10.752  -9.909
  233   3HD2  LEU  29          HD21      LEU  29  61.521  11.547  -8.432
  234    H    GLY  30           HN       GLY  30  58.300   9.879  -5.239
  235   1HA   GLY  30           HA2      GLY  30  55.905  11.652  -5.168
  236   2HA   GLY  30           HA1      GLY  30  55.983  10.025  -4.486
  237    H    ALA  31           HN       ALA  31  58.792  10.884  -3.462
  238    HA   ALA  31           HA       ALA  31  58.160  11.352  -0.765
  239   1HB   ALA  31           HB1      ALA  31  60.371  10.758  -1.980
  240   2HB   ALA  31           HB3      ALA  31  60.586  12.500  -2.155
  241   3HB   ALA  31           HB2      ALA  31  60.485  11.779  -0.548
  242    H    GLU  32           HN       GLU  32  58.877  13.475   0.415
  243    HA   GLU  32           HA       GLU  32  57.637  15.806  -1.010
  244   1HB   GLU  32           HB2      GLU  32  57.833  15.134   1.946
  245   2HB   GLU  32           HB1      GLU  32  56.984  16.521   1.263
  246   1HG   GLU  32           HG2      GLU  32  55.168  15.160   1.245
  247   2HG   GLU  32           HG1      GLU  32  55.917  14.431  -0.177
  248    H    ASP  33           HN       ASP  33  60.333  14.679   0.964
  249    HA   ASP  33           HA       ASP  33  61.607  17.379   0.803
  250   1HB   ASP  33           HB2      ASP  33  63.118  16.314   2.552
  251   2HB   ASP  33           HB1      ASP  33  61.427  16.466   3.030
  252    H    GLY  34           HN       GLY  34  61.833  14.087  -0.328
  253   1HA   GLY  34           HA2      GLY  34  63.141  13.854  -2.472
  254   2HA   GLY  34           HA1      GLY  34  64.423  14.763  -1.668
  255    H    CYS  35           HN       CYS  35  62.388  12.008  -0.634
  256    HA   CYS  35           HA       CYS  35  64.858  10.360  -0.346
  257   1HB   CYS  35           HB2      CYS  35  63.406  11.678   1.745
  258   2HB   CYS  35           HB1      CYS  35  63.165   9.940   1.920
  259    HG   CYS  35           HG       CYS  35  65.664  11.329   2.684
  260    H    ILE  36           HN       ILE  36  63.948   8.055   0.558
  261    HA   ILE  36           HA       ILE  36  61.583   7.394  -1.168
  262    HB   ILE  36           HB       ILE  36  63.493   5.264  -0.362
  263   1HG1  ILE  36          HG12      ILE  36  64.297   7.404  -2.365
  264   2HG1  ILE  36          HG11      ILE  36  65.034   7.180  -0.778
  265   1HG2  ILE  36          HG22      ILE  36  61.882   6.092  -2.746
  266   2HG2  ILE  36          HG21      ILE  36  63.265   5.027  -2.995
  267   3HG2  ILE  36          HG23      ILE  36  61.950   4.531  -1.928
  268   1HD1  ILE  36          HD12      ILE  36  64.899   4.716  -2.379
  269   2HD1  ILE  36          HD11      ILE  36  65.905   5.975  -3.095
  270   3HD1  ILE  36          HD13      ILE  36  66.248   5.391  -1.466
  271    H    SER  37           HN       SER  37  59.898   7.343   0.320
  272    HA   SER  37           HA       SER  37  60.141   6.491   3.055
  273   1HB   SER  37           HB2      SER  37  57.771   6.678   1.169
  274   2HB   SER  37           HB1      SER  37  57.654   6.542   2.921
  275    HG   SER  37           HG       SER  37  58.512   8.531   3.142
  276    H    THR  38           HN       THR  38  58.549   4.603   3.786
  277    HA   THR  38           HA       THR  38  59.556   2.144   2.523
  278    HB   THR  38           HB       THR  38  59.441   2.505   4.980
  279    HG1  THR  38           HG1      THR  38  58.905   0.401   3.727
  280   1HG2  THR  38          HG23      THR  38  56.630   3.074   4.261
  281   2HG2  THR  38          HG22      THR  38  56.861   2.118   5.723
  282   3HG2  THR  38          HG21      THR  38  57.606   3.711   5.584
  283    H    LYS  39           HN       LYS  39  56.660   4.071   2.480
  284    HA   LYS  39           HA       LYS  39  54.719   2.096   1.786
  285   1HB   LYS  39           HB2      LYS  39  54.931   4.881   2.106
  286   2HB   LYS  39           HB1      LYS  39  54.369   4.654   0.451
  287   1HG   LYS  39           HG2      LYS  39  52.307   4.178   1.208
  288   2HG   LYS  39           HG1      LYS  39  52.956   2.817   2.123
  289   1HD   LYS  39           HD2      LYS  39  53.696   4.643   3.839
  290   2HD   LYS  39           HD1      LYS  39  52.496   5.649   3.028
  291   1HE   LYS  39           HE2      LYS  39  50.726   4.426   3.843
  292   2HE   LYS  39           HE1      LYS  39  51.625   2.897   3.779
  293   1HZ   LYS  39           HZ1      LYS  39  52.539   5.010   5.601
  294   2HZ   LYS  39           HZ3      LYS  39  51.203   4.072   6.060
  295   3HZ   LYS  39           HZ2      LYS  39  52.696   3.324   5.742
  296    H    GLU  40           HN       GLU  40  57.144   3.804  -0.143
  297    HA   GLU  40           HA       GLU  40  56.106   2.568  -2.644
  298   1HB   GLU  40           HB2      GLU  40  57.314   5.006  -1.914
  299   2HB   GLU  40           HB1      GLU  40  58.531   4.151  -2.863
  300   1HG   GLU  40           HG2      GLU  40  55.679   4.291  -3.816
  301   2HG   GLU  40           HG1      GLU  40  56.791   5.625  -4.124
  302    H    LEU  41           HN       LEU  41  58.557   2.147  -0.245
  303    HA   LEU  41           HA       LEU  41  60.725   0.986  -1.539
  304   1HB   LEU  41           HB2      LEU  41  60.399   1.347   0.909
  305   2HB   LEU  41           HB1      LEU  41  59.285  -0.019   0.940
  306    HG   LEU  41           HG       LEU  41  61.694  -0.524   1.628
  307   1HD1  LEU  41          HD13      LEU  41  59.837  -2.098   0.525
  308   2HD1  LEU  41          HD12      LEU  41  61.036  -2.183  -0.766
  309   3HD1  LEU  41          HD11      LEU  41  61.463  -2.690   0.868
  310   1HD2  LEU  41          HD22      LEU  41  62.579   0.921  -0.320
  311   2HD2  LEU  41          HD21      LEU  41  63.382  -0.624  -0.036
  312   3HD2  LEU  41          HD23      LEU  41  62.214  -0.465  -1.347
  313    H    GLY  42           HN       GLY  42  57.902  -0.891  -0.356
  314   1HA   GLY  42           HA2      GLY  42  58.477  -3.368  -1.435
  315   2HA   GLY  42           HA1      GLY  42  56.829  -2.744  -1.351
  316    H    LYS  43           HN       LYS  43  57.009  -0.620  -3.175
  317    HA   LYS  43           HA       LYS  43  56.692  -1.988  -5.686
  318   1HB   LYS  43           HB2      LYS  43  56.615   0.758  -4.580
  319   2HB   LYS  43           HB1      LYS  43  56.969   0.661  -6.306
  320   1HG   LYS  43           HG2      LYS  43  54.969  -0.863  -6.543
  321   2HG   LYS  43           HG1      LYS  43  54.572  -0.499  -4.863
  322   1HD   LYS  43           HD2      LYS  43  54.638   1.966  -5.520
  323   2HD   LYS  43           HD1      LYS  43  54.680   1.421  -7.197
  324   1HE   LYS  43           HE2      LYS  43  52.578   0.073  -6.706
  325   2HE   LYS  43           HE1      LYS  43  52.488   0.938  -5.158
  326   1HZ   LYS  43           HZ3      LYS  43  52.953   2.473  -7.616
  327   2HZ   LYS  43           HZ2      LYS  43  51.375   1.938  -7.286
  328   3HZ   LYS  43           HZ1      LYS  43  52.181   2.948  -6.183
  329    H    VAL  44           HN       VAL  44  59.311   0.043  -4.359
  330    HA   VAL  44           HA       VAL  44  60.962   0.037  -6.710
  331    HB   VAL  44           HB       VAL  44  61.615   0.277  -3.754
  332   1HG1  VAL  44          HG13      VAL  44  63.276   0.294  -6.142
  333   2HG1  VAL  44          HG12      VAL  44  63.382   1.826  -5.275
  334   3HG1  VAL  44          HG11      VAL  44  63.760   0.315  -4.448
  335   1HG2  VAL  44          HG21      VAL  44  60.558   2.143  -5.839
  336   2HG2  VAL  44          HG23      VAL  44  60.196   2.067  -4.114
  337   3HG2  VAL  44          HG22      VAL  44  61.707   2.788  -4.667
  338    H    MET  45           HN       MET  45  61.096  -1.962  -3.737
  339    HA   MET  45           HA       MET  45  63.254  -3.640  -4.568
  340   1HB   MET  45           HB2      MET  45  60.982  -3.772  -2.604
  341   2HB   MET  45           HB1      MET  45  62.005  -5.190  -2.836
  342   1HG   MET  45           HG2      MET  45  63.417  -2.598  -2.501
  343   2HG   MET  45           HG1      MET  45  62.599  -3.229  -1.072
  344   1HE   MET  45           HE3      MET  45  65.574  -2.614  -2.030
  345   2HE   MET  45           HE2      MET  45  66.662  -3.999  -2.023
  346   3HE   MET  45           HE1      MET  45  65.723  -3.633  -3.469
  347    H    ARG  46           HN       ARG  46  59.878  -3.601  -5.434
  348    HA   ARG  46           HA       ARG  46  59.740  -6.369  -6.343
  349   1HB   ARG  46           HB2      ARG  46  58.074  -3.878  -6.435
  350   2HB   ARG  46           HB1      ARG  46  57.652  -5.211  -7.513
  351   1HG   ARG  46           HG2      ARG  46  57.440  -6.737  -5.642
  352   2HG   ARG  46           HG1      ARG  46  58.047  -5.516  -4.523
  353   1HD   ARG  46           HD2      ARG  46  55.972  -4.640  -4.280
  354   2HD   ARG  46           HD1      ARG  46  55.794  -4.475  -6.038
  355    HE   ARG  46           HE       ARG  46  55.583  -7.245  -5.223
  356   1HH1  ARG  46          HH11      ARG  46  53.913  -4.230  -5.118
  357   2HH1  ARG  46          HH12      ARG  46  52.347  -4.939  -5.325
  358   1HH2  ARG  46          HH21      ARG  46  53.552  -8.176  -5.613
  359   2HH2  ARG  46          HH22      ARG  46  52.143  -7.170  -5.606
  360    H    MET  47           HN       MET  47  59.975  -3.198  -8.006
  361    HA   MET  47           HA       MET  47  60.246  -4.383 -10.644
  362   1HB   MET  47           HB2      MET  47  60.478  -2.107 -11.325
  363   2HB   MET  47           HB1      MET  47  59.406  -2.057  -9.927
  364   1HG   MET  47           HG2      MET  47  61.345  -1.527  -8.474
  365   2HG   MET  47           HG1      MET  47  62.393  -1.533  -9.893
  366   1HE   MET  47           HE3      MET  47  62.898   0.305 -11.268
  367   2HE   MET  47           HE2      MET  47  62.521   1.952 -10.770
  368   3HE   MET  47           HE1      MET  47  63.287   0.849  -9.630
  369    H    LEU  48           HN       LEU  48  62.552  -2.980  -8.299
  370    HA   LEU  48           HA       LEU  48  64.914  -3.084  -9.823
  371   1HB   LEU  48           HB2      LEU  48  64.079  -3.013  -7.021
  372   2HB   LEU  48           HB1      LEU  48  65.624  -3.836  -7.237
  373    HG   LEU  48           HG       LEU  48  65.102  -1.211  -8.613
  374   1HD1  LEU  48          HD11      LEU  48  65.092  -1.592  -5.794
  375   2HD1  LEU  48          HD13      LEU  48  66.640  -0.858  -6.213
  376   3HD1  LEU  48          HD12      LEU  48  65.134  -0.065  -6.677
  377   1HD2  LEU  48          HD21      LEU  48  67.340  -3.048  -8.140
  378   2HD2  LEU  48          HD23      LEU  48  67.163  -1.791  -9.363
  379   3HD2  LEU  48          HD22      LEU  48  67.730  -1.374  -7.746
  380    H    GLY  49           HN       GLY  49  63.170  -5.704  -8.212
  381   1HA   GLY  49           HA2      GLY  49  63.562  -7.917  -9.475
  382   2HA   GLY  49           HA1      GLY  49  65.269  -7.611  -9.157
  383    H    GLN  50           HN       GLN  50  63.540  -6.450  -6.553
  384    HA   GLN  50           HA       GLN  50  64.184  -8.901  -4.980
  385   1HB   GLN  50           HB2      GLN  50  63.670  -5.989  -4.309
  386   2HB   GLN  50           HB1      GLN  50  63.914  -7.230  -3.077
  387   1HG   GLN  50           HG2      GLN  50  65.890  -6.780  -5.320
  388   2HG   GLN  50           HG1      GLN  50  65.997  -5.916  -3.786
  389   1HE2  GLN  50          HE22      GLN  50  67.845  -8.614  -2.478
  390   2HE2  GLN  50          HE21      GLN  50  67.741  -6.940  -2.740
  391    H    ASN  51           HN       ASN  51  62.582  -9.393  -3.168
  392    HA   ASN  51           HA       ASN  51  59.779  -8.590  -3.736
  393   1HB   ASN  51           HB2      ASN  51  61.001 -11.326  -4.058
  394   2HB   ASN  51           HB1      ASN  51  59.287 -11.156  -3.674
  395   1HD2  ASN  51          HD22      ASN  51  58.479  -9.672  -6.856
  396   2HD2  ASN  51          HD21      ASN  51  58.016  -9.682  -5.223
  397    HA   PRO  52           HA       PRO  52  60.980  -9.408   0.730
  398   1HB   PRO  52           HB2      PRO  52  60.615  -6.854   1.644
  399   2HB   PRO  52           HB1      PRO  52  62.165  -7.441   1.008
  400   1HG   PRO  52           HG2      PRO  52  60.089  -5.772  -0.316
  401   2HG   PRO  52           HG1      PRO  52  61.854  -5.671  -0.417
  402   1HD   PRO  52           HD2      PRO  52  60.291  -6.801  -2.351
  403   2HD   PRO  52           HD1      PRO  52  61.983  -7.263  -2.053
  404    H    THR  53           HN       THR  53  59.448  -9.193   2.595
  405    HA   THR  53           HA       THR  53  56.650  -9.324   1.677
  406    HB   THR  53           HB       THR  53  56.737  -9.646   4.435
  407    HG1  THR  53           HG1      THR  53  58.611 -10.713   4.870
  408   1HG2  THR  53          HG21      THR  53  56.740 -11.383   2.035
  409   2HG2  THR  53          HG23      THR  53  57.180 -12.170   3.551
  410   3HG2  THR  53          HG22      THR  53  55.626 -11.349   3.401
  411    HA   PRO  54           HA       PRO  54  55.343  -5.428   3.212
  412   1HB   PRO  54           HB2      PRO  54  53.071  -5.994   4.629
  413   2HB   PRO  54           HB1      PRO  54  53.152  -6.084   2.858
  414   1HG   PRO  54           HG2      PRO  54  53.256  -8.268   4.870
  415   2HG   PRO  54           HG1      PRO  54  52.494  -8.238   3.273
  416   1HD   PRO  54           HD2      PRO  54  54.895  -9.449   3.806
  417   2HD   PRO  54           HD1      PRO  54  54.417  -8.845   2.205
  418    H    GLU  55           HN       GLU  55  54.951  -7.844   5.845
  419    HA   GLU  55           HA       GLU  55  55.283  -5.996   8.005
  420   1HB   GLU  55           HB2      GLU  55  55.307  -8.921   7.520
  421   2HB   GLU  55           HB1      GLU  55  56.147  -8.395   8.979
  422   1HG   GLU  55           HG2      GLU  55  54.177  -8.101  10.019
  423   2HG   GLU  55           HG1      GLU  55  53.696  -6.933   8.788
  424    H    GLU  56           HN       GLU  56  57.601  -7.730   5.990
  425    HA   GLU  56           HA       GLU  56  59.902  -7.125   7.699
  426   1HB   GLU  56           HB2      GLU  56  59.358  -8.351   5.009
  427   2HB   GLU  56           HB1      GLU  56  61.013  -7.916   5.437
  428   1HG   GLU  56           HG2      GLU  56  59.305  -9.530   7.324
  429   2HG   GLU  56           HG1      GLU  56  60.198 -10.311   6.019
  430    H    LEU  57           HN       LEU  57  58.211  -5.595   5.050
  431    HA   LEU  57           HA       LEU  57  60.126  -3.934   3.878
  432   1HB   LEU  57           HB2      LEU  57  57.345  -4.198   4.002
  433   2HB   LEU  57           HB1      LEU  57  57.643  -2.541   4.524
  434    HG   LEU  57           HG       LEU  57  59.320  -2.601   2.435
  435   1HD1  LEU  57          HD13      LEU  57  57.165  -4.643   1.827
  436   2HD1  LEU  57          HD12      LEU  57  58.132  -3.853   0.583
  437   3HD1  LEU  57          HD11      LEU  57  58.911  -4.886   1.780
  438   1HD2  LEU  57          HD22      LEU  57  56.716  -1.602   2.987
  439   2HD2  LEU  57          HD21      LEU  57  57.870  -0.997   1.799
  440   3HD2  LEU  57          HD23      LEU  57  56.688  -2.220   1.336
  441    H    GLN  58           HN       GLN  58  58.072  -2.972   6.661
  442    HA   GLN  58           HA       GLN  58  59.603  -0.612   7.267
  443   1HB   GLN  58           HB2      GLN  58  57.245  -0.995   7.879
  444   2HB   GLN  58           HB1      GLN  58  57.729  -2.316   8.943
  445   1HG   GLN  58           HG2      GLN  58  57.416  -0.333  10.300
  446   2HG   GLN  58           HG1      GLN  58  59.144  -0.678  10.222
  447   1HE2  GLN  58          HE22      GLN  58  59.924   2.376   8.652
  448   2HE2  GLN  58          HE21      GLN  58  60.492   0.953   9.382
  449    H    GLU  59           HN       GLU  59  59.590  -3.897   8.682
  450    HA   GLU  59           HA       GLU  59  61.359  -3.534  10.828
  451   1HB   GLU  59           HB2      GLU  59  60.160  -5.623   9.378
  452   2HB   GLU  59           HB1      GLU  59  61.888  -5.977   9.346
  453   1HG   GLU  59           HG2      GLU  59  61.169  -5.069  11.977
  454   2HG   GLU  59           HG1      GLU  59  60.082  -6.376  11.500
  455    H    MET  60           HN       MET  60  62.157  -4.105   7.392
  456    HA   MET  60           HA       MET  60  65.031  -4.117   7.835
  457   1HB   MET  60           HB2      MET  60  63.099  -4.103   5.549
  458   2HB   MET  60           HB1      MET  60  64.783  -3.699   5.212
  459   1HG   MET  60           HG2      MET  60  64.279  -6.087   6.923
  460   2HG   MET  60           HG1      MET  60  63.900  -6.236   5.208
  461   1HE   MET  60           HE1      MET  60  65.679  -7.849   6.835
  462   2HE   MET  60           HE3      MET  60  67.382  -7.852   6.358
  463   3HE   MET  60           HE2      MET  60  66.839  -6.836   7.691
  464    H    ILE  61           HN       ILE  61  62.715  -1.629   7.790
  465    HA   ILE  61           HA       ILE  61  64.738   0.404   6.922
  466    HB   ILE  61           HB       ILE  61  61.716   0.309   7.050
  467   1HG1  ILE  61          HG12      ILE  61  63.594   0.984   4.767
  468   2HG1  ILE  61          HG11      ILE  61  63.000  -0.647   5.079
  469   1HG2  ILE  61          HG23      ILE  61  63.561   2.639   7.065
  470   2HG2  ILE  61          HG22      ILE  61  62.217   2.717   5.927
  471   3HG2  ILE  61          HG21      ILE  61  61.903   2.512   7.651
  472   1HD1  ILE  61          HD12      ILE  61  61.109   1.688   4.790
  473   2HD1  ILE  61          HD11      ILE  61  61.675   0.781   3.387
  474   3HD1  ILE  61          HD13      ILE  61  60.752  -0.034   4.650
  475    H    ASP  62           HN       ASP  62  62.120  -0.044   9.336
  476    HA   ASP  62           HA       ASP  62  62.777   2.139  11.021
  477   1HB   ASP  62           HB2      ASP  62  60.983  -0.011  10.914
  478   2HB   ASP  62           HB1      ASP  62  61.849  -0.235  12.435
  479    H    GLU  63           HN       GLU  63  64.400  -0.907  10.567
  480    HA   GLU  63           HA       GLU  63  65.919  -0.605  13.111
  481   1HB   GLU  63           HB2      GLU  63  65.428  -2.744  11.059
  482   2HB   GLU  63           HB1      GLU  63  66.844  -2.870  12.105
  483   1HG   GLU  63           HG2      GLU  63  65.083  -2.327  14.008
  484   2HG   GLU  63           HG1      GLU  63  63.937  -2.965  12.828
  485    H    VAL  64           HN       VAL  64  66.427  -0.689   9.578
  486    HA   VAL  64           HA       VAL  64  69.317  -0.287   9.839
  487    HB   VAL  64           HB       VAL  64  67.781  -1.446   7.997
  488   1HG1  VAL  64          HG12      VAL  64  66.927   1.105   7.607
  489   2HG1  VAL  64          HG11      VAL  64  68.258   1.040   6.451
  490   3HG1  VAL  64          HG13      VAL  64  66.934  -0.120   6.338
  491   1HG2  VAL  64          HG23      VAL  64  70.436  -0.214   7.983
  492   2HG2  VAL  64          HG22      VAL  64  69.934  -1.804   7.410
  493   3HG2  VAL  64          HG21      VAL  64  69.759  -0.394   6.365
  494    H    ASP  65           HN       ASP  65  66.540   1.736   9.858
  495    HA   ASP  65           HA       ASP  65  67.255   4.108   8.606
  496   1HB   ASP  65           HB2      ASP  65  65.346   3.254  10.356
  497   2HB   ASP  65           HB1      ASP  65  66.257   4.358  11.388
  498    H    GLU  66           HN       GLU  66  68.661   5.834   9.079
  499    HA   GLU  66           HA       GLU  66  70.490   5.463  11.430
  500   1HB   GLU  66           HB2      GLU  66  70.957   5.752   8.521
  501   2HB   GLU  66           HB1      GLU  66  72.006   6.734   9.544
  502   1HG   GLU  66           HG2      GLU  66  71.710   4.047  10.612
  503   2HG   GLU  66           HG1      GLU  66  72.330   4.015   8.960
  504    H    ASP  67           HN       ASP  67  68.130   7.394  10.167
  505    HA   ASP  67           HA       ASP  67  69.379   9.887  11.285
  506   1HB   ASP  67           HB2      ASP  67  67.836  11.020   9.609
  507   2HB   ASP  67           HB1      ASP  67  69.131  10.058   8.893
  508    H    GLY  68           HN       GLY  68  67.070   7.555  11.844
  509   1HA   GLY  68           HA2      GLY  68  65.241   7.473  13.315
  510   2HA   GLY  68           HA1      GLY  68  65.780   9.036  13.934
  511    H    SER  69           HN       SER  69  64.694   8.118  10.660
  512    HA   SER  69           HA       SER  69  62.573  10.228  10.906
  513   1HB   SER  69           HB2      SER  69  63.167  10.936   8.783
  514   2HB   SER  69           HB1      SER  69  64.722  10.296   9.311
  515    HG   SER  69           HG       SER  69  64.548   8.818   7.836
  516    H    GLY  70           HN       GLY  70  63.347   7.298   8.971
  517   1HA   GLY  70           HA2      GLY  70  61.655   5.401   9.318
  518   2HA   GLY  70           HA1      GLY  70  60.431   6.639   9.037
  519    H    THR  71           HN       THR  71  62.374   7.885   7.014
  520    HA   THR  71           HA       THR  71  61.397   6.319   4.705
  521    HB   THR  71           HB       THR  71  62.534   8.333   3.532
  522    HG1  THR  71           HG1      THR  71  63.825   9.238   4.953
  523   1HG2  THR  71          HG23      THR  71  60.039   7.977   4.493
  524   2HG2  THR  71          HG22      THR  71  60.520   9.377   5.452
  525   3HG2  THR  71          HG21      THR  71  60.547   9.463   3.690
  526    H    VAL  72           HN       VAL  72  63.078   6.044   2.853
  527    HA   VAL  72           HA       VAL  72  65.600   4.953   4.042
  528    HB   VAL  72           HB       VAL  72  64.515   4.275   1.316
  529   1HG1  VAL  72          HG13      VAL  72  66.140   2.892   3.451
  530   2HG1  VAL  72          HG12      VAL  72  65.451   2.019   2.082
  531   3HG1  VAL  72          HG11      VAL  72  66.625   3.305   1.808
  532   1HG2  VAL  72          HG22      VAL  72  63.341   3.558   3.978
  533   2HG2  VAL  72          HG21      VAL  72  62.533   3.814   2.432
  534   3HG2  VAL  72          HG23      VAL  72  63.400   2.309   2.735
  535    H    ASP  73           HN       ASP  73  67.174   6.520   3.785
  536    HA   ASP  73           HA       ASP  73  67.213   8.230   1.372
  537   1HB   ASP  73           HB2      ASP  73  67.703   8.826   3.871
  538   2HB   ASP  73           HB1      ASP  73  69.286   8.114   3.560
  539    H    PHE  74           HN       PHE  74  69.386   8.439   0.216
  540    HA   PHE  74           HA       PHE  74  70.216   6.146  -1.092
  541   1HB   PHE  74           HB2      PHE  74  70.834   8.621  -1.419
  542   2HB   PHE  74           HB1      PHE  74  72.111   8.346  -0.233
  543    HD1  PHE  74           HD1      PHE  74  70.700   6.504  -3.191
  544    HD2  PHE  74           HD2      PHE  74  74.203   7.923  -1.150
  545    HE1  PHE  74           HE1      PHE  74  72.131   5.513  -4.958
  546    HE2  PHE  74           HE2      PHE  74  75.633   6.932  -2.917
  547    HZ   PHE  74           HZ       PHE  74  74.597   5.726  -4.820
  548    H    ASP  75           HN       ASP  75  71.912   7.545   1.747
  549    HA   ASP  75           HA       ASP  75  73.808   5.508   2.153
  550   1HB   ASP  75           HB2      ASP  75  72.746   7.791   3.483
  551   2HB   ASP  75           HB1      ASP  75  72.780   6.477   4.660
  552    H    GLU  76           HN       GLU  76  70.578   5.769   3.705
  553    HA   GLU  76           HA       GLU  76  70.706   3.196   4.988
  554   1HB   GLU  76           HB2      GLU  76  68.370   4.938   4.132
  555   2HB   GLU  76           HB1      GLU  76  68.272   3.616   5.293
  556   1HG   GLU  76           HG2      GLU  76  69.783   4.748   6.808
  557   2HG   GLU  76           HG1      GLU  76  70.102   6.009   5.616
  558    H    PHE  77           HN       PHE  77  68.871   4.248   2.085
  559    HA   PHE  77           HA       PHE  77  67.713   1.888   1.254
  560   1HB   PHE  77           HB2      PHE  77  67.706   4.170   0.161
  561   2HB   PHE  77           HB1      PHE  77  69.280   3.777  -0.532
  562    HD1  PHE  77           HD2      PHE  77  66.230   1.664  -0.007
  563    HD2  PHE  77           HD1      PHE  77  68.958   3.413  -2.828
  564    HE1  PHE  77           HE2      PHE  77  65.113   0.436  -1.850
  565    HE2  PHE  77           HE1      PHE  77  67.841   2.185  -4.670
  566    HZ   PHE  77           HZ       PHE  77  65.918   0.696  -4.181
  567    H    LEU  78           HN       LEU  78  71.154   2.720   1.073
  568    HA   LEU  78           HA       LEU  78  71.907   0.429  -0.553
  569   1HB   LEU  78           HB2      LEU  78  73.214   2.606   1.028
  570   2HB   LEU  78           HB1      LEU  78  74.198   1.211   0.582
  571    HG   LEU  78           HG       LEU  78  72.538   2.807  -1.389
  572   1HD1  LEU  78          HD13      LEU  78  74.367   4.174  -0.425
  573   2HD1  LEU  78          HD12      LEU  78  75.522   2.907  -0.843
  574   3HD1  LEU  78          HD11      LEU  78  74.676   3.784  -2.118
  575   1HD2  LEU  78          HD23      LEU  78  74.658   0.657  -1.679
  576   2HD2  LEU  78          HD22      LEU  78  72.955   0.529  -2.121
  577   3HD2  LEU  78          HD21      LEU  78  74.024   1.602  -3.026
  578    H    VAL  79           HN       VAL  79  72.476   1.202   2.910
  579    HA   VAL  79           HA       VAL  79  73.544  -1.272   3.728
  580    HB   VAL  79           HB       VAL  79  71.699   0.691   5.130
  581   1HG1  VAL  79          HG13      VAL  79  73.476  -1.494   6.259
  582   2HG1  VAL  79          HG12      VAL  79  72.669  -0.255   7.221
  583   3HG1  VAL  79          HG11      VAL  79  71.715  -1.441   6.331
  584   1HG2  VAL  79          HG22      VAL  79  74.085   1.280   4.124
  585   2HG2  VAL  79          HG21      VAL  79  73.611   1.873   5.717
  586   3HG2  VAL  79          HG23      VAL  79  74.654   0.457   5.576
  587    H    MET  80           HN       MET  80  70.103  -0.278   4.013
  588    HA   MET  80           HA       MET  80  68.957  -2.645   4.894
  589   1HB   MET  80           HB2      MET  80  66.945  -1.838   3.684
  590   2HB   MET  80           HB1      MET  80  67.789  -0.507   4.476
  591   1HG   MET  80           HG2      MET  80  67.468   0.394   2.364
  592   2HG   MET  80           HG1      MET  80  69.054  -0.351   2.162
  593   1HE   MET  80           HE3      MET  80  65.296  -0.513   1.642
  594   2HE   MET  80           HE2      MET  80  65.000  -2.042   0.817
  595   3HE   MET  80           HE1      MET  80  65.508  -2.043   2.504
  596    H    MET  81           HN       MET  81  70.198  -1.931   1.668
  597    HA   MET  81           HA       MET  81  69.055  -4.293   0.397
  598   1HB   MET  81           HB2      MET  81  70.509  -1.910  -0.267
  599   2HB   MET  81           HB1      MET  81  71.365  -3.291  -0.956
  600   1HG   MET  81           HG2      MET  81  69.099  -4.081  -1.834
  601   2HG   MET  81           HG1      MET  81  68.484  -2.487  -1.400
  602   1HE   MET  81           HE2      MET  81  68.168  -0.992  -2.614
  603   2HE   MET  81           HE1      MET  81  69.591  -0.023  -2.989
  604   3HE   MET  81           HE3      MET  81  68.636  -0.741  -4.295
  605    H    VAL  82           HN       VAL  82  72.461  -3.408   1.086
  606    HA   VAL  82           HA       VAL  82  73.679  -5.881   0.624
  607    HB   VAL  82           HB       VAL  82  74.923  -3.868   1.079
  608   1HG1  VAL  82          HG13      VAL  82  73.461  -3.947   3.726
  609   2HG1  VAL  82          HG12      VAL  82  74.882  -2.938   3.457
  610   3HG1  VAL  82          HG11      VAL  82  73.421  -2.673   2.506
  611   1HG2  VAL  82          HG23      VAL  82  75.305  -6.270   2.685
  612   2HG2  VAL  82          HG22      VAL  82  76.509  -5.264   1.878
  613   3HG2  VAL  82          HG21      VAL  82  75.947  -4.840   3.495
  614    H    ARG  83           HN       ARG  83  71.763  -4.865   3.406
  615    HA   ARG  83           HA       ARG  83  72.518  -7.076   5.129
  616   1HB   ARG  83           HB2      ARG  83  70.285  -5.038   5.038
  617   2HB   ARG  83           HB1      ARG  83  70.402  -6.237   6.326
  618   1HG   ARG  83           HG2      ARG  83  72.676  -5.438   6.867
  619   2HG   ARG  83           HG1      ARG  83  72.556  -4.234   5.583
  620   1HD   ARG  83           HD2      ARG  83  71.906  -2.975   7.452
  621   2HD   ARG  83           HD1      ARG  83  70.331  -3.556   6.874
  622    HE   ARG  83           HE       ARG  83  71.396  -5.562   8.570
  623   1HH1  ARG  83          HH11      ARG  83  71.627  -2.372   9.406
  624   2HH1  ARG  83          HH12      ARG  83  70.513  -2.431  10.731
  625   1HH2  ARG  83          HH21      ARG  83  69.377  -5.620   9.983
  626   2HH2  ARG  83          HH22      ARG  83  69.241  -4.269  11.058
  627    H    CYS  84           HN       CYS  84  70.057  -6.579   2.654
  628    HA   CYS  84           HA       CYS  84  68.875  -9.253   3.306
  629   1HB   CYS  84           HB2      CYS  84  67.851  -6.660   2.604
  630   2HB   CYS  84           HB1      CYS  84  67.376  -7.815   1.358
  631    HG   CYS  84           HG       CYS  84  65.606  -7.949   3.292
  632    H    MET  85           HN       MET  85  70.821  -7.567   1.015
  633    HA   MET  85           HA       MET  85  70.210  -8.860  -1.427
  634   1HB   MET  85           HB2      MET  85  72.498  -7.491  -0.135
  635   2HB   MET  85           HB1      MET  85  72.920  -8.533  -1.494
  636   1HG   MET  85           HG2      MET  85  70.808  -7.297  -2.587
  637   2HG   MET  85           HG1      MET  85  71.290  -6.035  -1.455
  638   1HE   MET  85           HE3      MET  85  72.932  -4.664  -1.485
  639   2HE   MET  85           HE2      MET  85  74.148  -4.365  -2.724
  640   3HE   MET  85           HE1      MET  85  72.446  -4.081  -3.083
  641    H    LYS  86           HN       LYS  86  72.949  -9.762   0.707
  642    HA   LYS  86           HA       LYS  86  73.952 -11.870   1.082
  643   1HB   LYS  86           HB2      LYS  86  71.337 -11.978   1.726
  644   2HB   LYS  86           HB1      LYS  86  71.357 -13.193   0.446
  645   1HG   LYS  86           HG2      LYS  86  71.933 -14.545   2.220
  646   2HG   LYS  86           HG1      LYS  86  73.545 -13.987   1.771
  647   1HD   LYS  86           HD2      LYS  86  73.609 -12.390   3.512
  648   2HD   LYS  86           HD1      LYS  86  71.862 -12.458   3.754
  649   1HE   LYS  86           HE2      LYS  86  72.481 -15.054   4.242
  650   2HE   LYS  86           HE1      LYS  86  73.978 -14.272   4.788
  651   1HZ   LYS  86           HZ2      LYS  86  72.370 -12.585   5.855
  652   2HZ   LYS  86           HZ1      LYS  86  71.215 -13.823   5.716
  653   3HZ   LYS  86           HZ3      LYS  86  72.620 -14.074   6.633
  654    H    ASP  87           HN       ASP  87  74.728 -11.149  -1.328
  655    HA   ASP  87           HA       ASP  87  75.210 -11.842  -3.545
  656   1HB   ASP  87           HB2      ASP  87  75.903 -13.681  -1.663
  657   2HB   ASP  87           HB1      ASP  87  74.851 -14.661  -2.686
  658    H    ASP  88           HN       ASP  88  74.309 -14.359  -4.737
  659    HA   ASP  88           HA       ASP  88  71.441 -13.635  -5.221
  660   1HB   ASP  88           HB2      ASP  88  71.877 -14.730  -7.431
  661   2HB   ASP  88           HB1      ASP  88  72.954 -13.366  -7.124
  662    H    SER  89           HN       SER  89  73.534 -16.073  -3.988
  663    HA   SER  89           HA       SER  89  71.241 -17.849  -3.471
  664   1HB   SER  89           HB2      SER  89  72.076 -19.676  -4.782
  665   2HB   SER  89           HB1      SER  89  72.133 -18.264  -5.832
  666    HG   SER  89           HG       SER  89  74.133 -18.997  -6.031
   
  No H/Q in entry =         666
  Start of MODEL   20
    1   1H    MET   1           HT2      MET   1  77.697  -0.605  18.158
    2   2H    MET   1           HT1      MET   1  78.518   0.762  18.742
    3   3H    MET   1           HT3      MET   1  77.187   0.951  17.708
    4    HA   MET   1           HA       MET   1  78.941   1.272  16.249
    5   1HB   MET   1           HB2      MET   1  80.203  -0.311  18.353
    6   2HB   MET   1           HB1      MET   1  80.764  -0.787  16.750
    7   1HG   MET   1           HG2      MET   1  82.079   1.036  16.698
    8   2HG   MET   1           HG1      MET   1  80.638   2.048  16.767
    9   1HE   MET   1           HE3      MET   1  81.776   3.695  17.511
   10   2HE   MET   1           HE2      MET   1  81.013   4.087  19.050
   11   3HE   MET   1           HE1      MET   1  82.761   3.881  18.969
   12    H    ASP   2           HN       ASP   2  79.026   0.283  14.196
   13    HA   ASP   2           HA       ASP   2  78.335  -2.587  13.931
   14   1HB   ASP   2           HB2      ASP   2  76.404  -1.987  12.457
   15   2HB   ASP   2           HB1      ASP   2  76.181  -1.434  14.116
   16    H    ASP   3           HN       ASP   3  80.762  -1.353  13.268
   17    HA   ASP   3           HA       ASP   3  80.994  -0.326  10.625
   18   1HB   ASP   3           HB2      ASP   3  82.632  -0.716  12.715
   19   2HB   ASP   3           HB1      ASP   3  83.090  -2.128  11.760
   20    H    ILE   4           HN       ILE   4  80.171  -3.484  11.703
   21    HA   ILE   4           HA       ILE   4  81.273  -5.158   9.699
   22    HB   ILE   4           HB       ILE   4  78.587  -5.249  11.112
   23   1HG1  ILE   4          HG12      ILE   4  81.340  -6.299  11.833
   24   2HG1  ILE   4          HG11      ILE   4  80.391  -5.104  12.717
   25   1HG2  ILE   4          HG21      ILE   4  78.750  -6.787   9.166
   26   2HG2  ILE   4          HG23      ILE   4  80.225  -7.470   9.850
   27   3HG2  ILE   4          HG22      ILE   4  78.689  -7.665  10.694
   28   1HD1  ILE   4          HD12      ILE   4  78.593  -6.942  12.916
   29   2HD1  ILE   4          HD11      ILE   4  79.862  -8.062  12.420
   30   3HD1  ILE   4          HD13      ILE   4  80.043  -7.127  13.905
   31    H    TYR   5           HN       TYR   5  77.938  -3.827   9.730
   32    HA   TYR   5           HA       TYR   5  77.418  -4.473   6.974
   33   1HB   TYR   5           HB2      TYR   5  76.203  -2.754   9.123
   34   2HB   TYR   5           HB1      TYR   5  75.565  -2.670   7.481
   35    HD1  TYR   5           HD1      TYR   5  76.139  -4.883  10.393
   36    HD2  TYR   5           HD2      TYR   5  74.350  -4.517   6.505
   37    HE1  TYR   5           HE1      TYR   5  74.873  -6.980  10.778
   38    HE2  TYR   5           HE2      TYR   5  73.084  -6.614   6.890
   39    HH   TYR   5           HH       TYR   5  73.150  -8.252  10.020
   40    H    LYS   6           HN       LYS   6  78.643  -1.560   8.596
   41    HA   LYS   6           HA       LYS   6  78.436   0.331   6.521
   42   1HB   LYS   6           HB2      LYS   6  79.814  -0.060   9.005
   43   2HB   LYS   6           HB1      LYS   6  80.955   0.607   7.838
   44   1HG   LYS   6           HG2      LYS   6  78.431   1.954   7.554
   45   2HG   LYS   6           HG1      LYS   6  78.918   1.991   9.249
   46   1HD   LYS   6           HD2      LYS   6  80.112   3.818   8.535
   47   2HD   LYS   6           HD1      LYS   6  81.290   2.574   8.113
   48   1HE   LYS   6           HE2      LYS   6  80.786   2.683   5.831
   49   2HE   LYS   6           HE1      LYS   6  79.158   3.327   6.122
   50   1HZ   LYS   6           HZ3      LYS   6  81.404   4.885   7.141
   51   2HZ   LYS   6           HZ2      LYS   6  81.185   4.885   5.456
   52   3HZ   LYS   6           HZ1      LYS   6  79.934   5.412   6.478
   53    H    ALA   7           HN       ALA   7  80.555  -2.442   6.805
   54    HA   ALA   7           HA       ALA   7  82.510  -1.595   4.834
   55   1HB   ALA   7           HB1      ALA   7  82.383  -3.478   6.760
   56   2HB   ALA   7           HB3      ALA   7  81.945  -4.471   5.370
   57   3HB   ALA   7           HB2      ALA   7  83.483  -3.610   5.388
   58    H    ALA   8           HN       ALA   8  79.736  -3.868   4.725
   59    HA   ALA   8           HA       ALA   8  79.899  -4.678   2.041
   60   1HB   ALA   8           HB3      ALA   8  78.298  -5.325   3.963
   61   2HB   ALA   8           HB2      ALA   8  77.324  -3.948   3.450
   62   3HB   ALA   8           HB1      ALA   8  77.613  -5.286   2.339
   63    H    VAL   9           HN       VAL   9  78.613  -1.663   3.395
   64    HA   VAL   9           HA       VAL   9  77.396  -0.638   1.013
   65    HB   VAL   9           HB       VAL   9  78.676   0.689   3.425
   66   1HG1  VAL   9          HG11      VAL   9  78.310   2.123   1.311
   67   2HG1  VAL   9          HG13      VAL   9  76.587   1.894   1.607
   68   3HG1  VAL   9          HG12      VAL   9  77.590   2.704   2.811
   69   1HG2  VAL   9          HG23      VAL   9  76.769  -0.916   3.822
   70   2HG2  VAL   9          HG22      VAL   9  76.423   0.742   4.315
   71   3HG2  VAL   9          HG21      VAL   9  75.762   0.115   2.804
   72    H    GLU  10           HN       GLU  10  80.573   0.216   2.461
   73    HA   GLU  10           HA       GLU  10  81.500   1.724   0.209
   74   1HB   GLU  10           HB2      GLU  10  82.279   1.387   2.744
   75   2HB   GLU  10           HB1      GLU  10  83.374   0.222   1.996
   76   1HG   GLU  10           HG2      GLU  10  83.166   2.852   0.638
   77   2HG   GLU  10           HG1      GLU  10  83.951   2.862   2.218
   78    H    GLN  11           HN       GLN  11  81.764  -1.716   1.050
   79    HA   GLN  11           HA       GLN  11  83.700  -2.600  -0.770
   80   1HB   GLN  11           HB2      GLN  11  81.575  -3.643   0.833
   81   2HB   GLN  11           HB1      GLN  11  81.488  -4.418  -0.749
   82   1HG   GLN  11           HG2      GLN  11  83.058  -5.805   0.189
   83   2HG   GLN  11           HG1      GLN  11  84.153  -4.534  -0.357
   84   1HE2  GLN  11          HE22      GLN  11  84.306  -3.095   3.037
   85   2HE2  GLN  11          HE21      GLN  11  84.003  -2.548   1.459
   86    H    LEU  12           HN       LEU  12  80.355  -1.637  -1.391
   87    HA   LEU  12           HA       LEU  12  79.941  -2.684  -3.973
   88   1HB   LEU  12           HB2      LEU  12  79.162  -0.053  -2.678
   89   2HB   LEU  12           HB1      LEU  12  78.477  -0.623  -4.200
   90    HG   LEU  12           HG       LEU  12  78.451  -2.406  -1.779
   91   1HD1  LEU  12          HD13      LEU  12  76.564  -0.131  -2.426
   92   2HD1  LEU  12          HD12      LEU  12  76.099  -1.486  -1.397
   93   3HD1  LEU  12          HD11      LEU  12  77.424  -0.426  -0.915
   94   1HD2  LEU  12          HD22      LEU  12  77.763  -2.856  -4.352
   95   2HD2  LEU  12          HD21      LEU  12  76.941  -3.637  -3.000
   96   3HD2  LEU  12          HD23      LEU  12  76.236  -2.208  -3.757
   97    H    THR  13           HN       THR  13  81.071  -2.362  -5.856
   98    HA   THR  13           HA       THR  13  83.344  -0.719  -6.147
   99    HB   THR  13           HB       THR  13  82.529  -0.959  -8.680
  100    HG1  THR  13           HG1      THR  13  81.128  -3.109  -7.622
  101   1HG2  THR  13          HG22      THR  13  83.687  -2.846  -6.722
  102   2HG2  THR  13          HG21      THR  13  83.063  -3.586  -8.196
  103   3HG2  THR  13          HG23      THR  13  84.300  -2.333  -8.295
  104    H    GLU  14           HN       GLU  14  83.647   1.375  -7.032
  105    HA   GLU  14           HA       GLU  14  81.769   3.403  -6.450
  106   1HB   GLU  14           HB2      GLU  14  84.350   3.068  -7.676
  107   2HB   GLU  14           HB1      GLU  14  83.406   4.212  -8.632
  108   1HG   GLU  14           HG2      GLU  14  83.745   4.382  -5.624
  109   2HG   GLU  14           HG1      GLU  14  84.706   5.302  -6.783
  110    H    GLU  15           HN       GLU  15  82.293   1.581  -9.461
  111    HA   GLU  15           HA       GLU  15  80.467   3.138 -11.075
  112   1HB   GLU  15           HB2      GLU  15  80.682   1.102 -12.559
  113   2HB   GLU  15           HB1      GLU  15  82.227   1.782 -12.048
  114   1HG   GLU  15           HG2      GLU  15  82.739  -0.020 -10.738
  115   2HG   GLU  15           HG1      GLU  15  81.064  -0.264 -10.242
  116    H    GLN  16           HN       GLN  16  80.055   0.573  -8.749
  117    HA   GLN  16           HA       GLN  16  77.474  -0.368  -9.689
  118   1HB   GLN  16           HB2      GLN  16  78.797  -1.812  -8.340
  119   2HB   GLN  16           HB1      GLN  16  79.084  -0.552  -7.139
  120   1HG   GLN  16           HG2      GLN  16  77.190  -1.066  -6.027
  121   2HG   GLN  16           HG1      GLN  16  76.238  -1.036  -7.513
  122   1HE2  GLN  16          HE22      GLN  16  78.151  -4.621  -7.011
  123   2HE2  GLN  16          HE21      GLN  16  79.041  -3.176  -7.001
  124    H    LYS  17           HN       LYS  17  78.157   1.241  -6.572
  125